Protein Hydrophilicity Plot Returns the title and description for an S/CID, the same as used in the web summary pages for these records. ;_|#|AP%A%A%AAUB;_|QP|QP|IP|QP|QP (|QP (|AP|K}x/ / https://pubchem.ncbi.nlm.nih.gov/rest/pug/classification/hnid/1857282/cids/TXT, https://pubchem.ncbi.nlm.nih.gov/rest/pug/classification/hnid/1857282/cids/XML?list_return=cachekey, https://pubchem.ncbi.nlm.nih.gov/rest/pug/classification/hnid/4501233/patents/JSON. Since it is not possible to measure Kow for all substances, various models have been developed to allow for their prediction, e.g. It details both the syntax of the HTTP requests, and the available functions. Available properties are: The molecular weight is the sum of all atomic weights of the constituent atoms in a compound, measured in g/mol. Valid output formats are XML, JSON(P), and ASNT/B. From skin care to hair care to color cosmetics, we offer hybrid silicone fluids, cleansing technology products, and surface-treated pigments. Valid output formats are XML, JSON(P), ASNT/B, and TXT. Type of AIDs to return, given SIDs or CIDs. A subset of the SIDs of an assay may be specified as options: https://pubchem.ncbi.nlm.nih.gov/rest/pug/assay/aid/504526/doseresponse/XML, https://pubchem.ncbi.nlm.nih.gov/rest/pug/assay/aid/504526/doseresponse/CSV?sid=104169547,109967232, https://pubchem.ncbi.nlm.nih.gov/rest/pug/assay/aid/doseresponse/XML(with aid=504526&sid=104169547,109967232 in the POST body), https://pubchem.ncbi.nlm.nih.gov/rest/pug/assay/aid/602332/sids/XML?sids_type=doseresponse&list_return=listkey, https://pubchem.ncbi.nlm.nih.gov/rest/pug/assay/aid/602332/doseresponse/CSV?sid=listkey&listkey=xxxxxx&listkey_count=100(where xxxxxx is the listkey returned by the previous URL). More than one property may be requested, in a comma-separated list of property tags in the request URL. For example, if you want to look for compounds that have the formula C6H12O and contain a six-membered carbon ring,first do the formula search with cachekey result: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/fastformula/C6H12O/cids/JSON?list_return=cachekey, "CacheKey":"is0tv08FKrkdkyiKqvJhpCDDO6PtouNSmXf4HoJm6h-Cf9Y". The list of identifiers may be grouped by input (e.g. Valid output formats are XML, JSON(P), and ASNT/B. If your research funder has signed Plan S, your open access charges may be covered by your funder through December 31, 2024. Contact angle Assay record retrieval is limited to a single AID with 10000 SIDs at a time; a subset of the SIDs of an assay may be specified as options: listkey containing SIDs, if using sid=listkey, https://pubchem.ncbi.nlm.nih.gov/rest/pug/substance/sourceid/IBM/5F1CA2B314D35F28C7F94168627B29E3/ASNT, https://pubchem.ncbi.nlm.nih.gov/rest/pug/substance/sourceid/DTP.NCI/747285/SDF, https://pubchem.ncbi.nlm.nih.gov/rest/pug/substance/sourceid/DTP.NCI/747285/PNG, https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/2244/SDF, https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/2244/PNG, https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/2244/SDF?record_type=3d, https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/2244/PNG?record_type=3d&image_size=small, https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/name/aspirin/SDF, https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/BPGDAMSIGCZZLK-UHFFFAOYSA-N/SDF, https://pubchem.ncbi.nlm.nih.gov/rest/pug/assay/aid/1000/XML, https://pubchem.ncbi.nlm.nih.gov/rest/pug/assay/aid/1000/ASNT?version=1.1(for old-version), https://pubchem.ncbi.nlm.nih.gov/rest/pug/assay/aid/1000/CSV?sid=26736081,26736082,26736083, https://pubchem.ncbi.nlm.nih.gov/rest/pug/assay/aid/1000/concise/CSV. & The mass of the most likely isotopic composition for a single molecule, corresponding to the most intense ion/molecule peak in a mass spectrum. It does not allow for user selectable options in dealing with the stereochemistry and tautomer layers of the InChI string. Note that for the service to parse such POST information correctly, the Content-Type: application/x-www-form-urlencoded value must be included in the request header. Hydrophile Total number of 3D features (the sum of FeatureAcceptorCount3D, FeatureDonorCount3D, FeatureAnionCount3D, FeatureCationCount3D, FeatureRingCount3D and FeatureHydrophobeCount3D). 2022 marks a new year as the world is trying to move through the COVID-19 pandemic. Hydrophobe Number of atoms with undefined tetrahedral (sp3) stereo. It is used to characterize or identify possible structure or domains of a protein. What operations are available are, of course, dependent on the input domain that is, certain operations are applicable only to compounds and not assays, for example. Hashed version of the full standard InChI, consisting of 27 characters. Valid output formats are XML, JSON(P), and ASNT/B. JSONP takes an optional callback function name (which defaults to callback if not specified). pathwaydomain = pwacc A more complete table of source information, including organization names and record counts is available for both substances and assays. Valid output formats are XML, JSON(P), and ASNT/B. Ed is a 20+ year veteran of Gelest, most recently serving as the, Gelest Inc. names Dr. Jonathan Goff as President of Gelest effective immediately. invalid CID), Request not allowed (such as invalid MIME type in the HTTP Accept header), The request timed out, from server overload or too broad a request, Too many requests or server is busy, retry later, The requested operation has not (yet) been implemented by the server, Some problem on the server side (such as a database server down, etc.). solubility Number of atoms with defined tetrahedral (sp3) stereo. Number of hydrogen-bond acceptors in the structure. XLogP is used as a measure of hydrophilicityor hydrophobicityof a molecule. This is a special type of compound namespace input that retrieves CIDs by identity search. Having focused on technology, new product development, market introductions, and growing customer relationships throughout his career, Jonathan is ideally suited to lead Gelest in its, Antimicrobial and Clean Surface Technologies, Hydrophobicity, Hydrophilicity, and Silane Surface Modification, Industrial Silanes for Adhesives, Sealants, Coatings, and Composites, Bulk Metal-Organics and Silanes: Pharmaceutical & Organic Synthesis, Synthetic Reagents: Organosilicon-Based & Metal-Organics, Borazine: The Simple Solution for Boron Nitride, Organosilicon & Metal-Organic Precursors for Microelectronics & Optoelectronics, Organosilicon & Metal-Organic Materials for Renewable Energy, Volatile Higher Silanes (Perhydridooligosilanes), Formulary: Personal Care and Color Cosmetics, Gelest siloxanes and acrylates are commonly used in contact lens formulations, Bath & Body formulations using Gelest personal care raw materials. Silanes and silicon compounds are offered in research and commercial quantities and are used for a variety of applications. Valid output formats are XML, JSON(P), ASNT/B, and CSV. Peptide Hydrophobicity/Hydrophilicity Analysis Read more in the latest editorial Custom optical, reprographic, and gel formulations to address the increasing use of sensors, modules, and products for medical devices. WebHydrophobicity Index for Common Amino Acids: The hydrophobicity index is a measure of the relative hydrophobicity, or how soluble an amino acid is in water. https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/1000,1001/assaysummary/CSV, https://pubchem.ncbi.nlm.nih.gov/rest/pug/substance/sid/104234342/assaysummary/XML. It requires a formula string in the URL path. Isomeric SMILES string. For example, a list of CID integers which may be too long to fit within the size limitations of a GET request URL may be moved to the POST body: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/property/MolecularFormula,MolecularWeight/CSV. stream / It is also called n-octanol-water partition ratio. Hydrophobicity Reactive Intermediates in Organosilicon Chemistry - Silicon Compounds: Register and Review (2nd edition), Collaboration provides robust chemical supply chain for global chipmakers using the breakthrough technology and supports R&D for next-generation EUV applications SEMICON WEST 2022, San Francisco, Calif., July 12, 2022 Lam Research Corp. (NASDAQ: LRCX), Entegris, Inc. (NASDAQ: ENTG), and Gelest, Inc, a Mitsubishi Chemical Group company, today announced a, Gelest Inc. today announced that Edward Kimble will be promoted to Executive Vice President and is responsible for the management of the commercial segment of the business overseeing the Business Units, Product Management, and Customer Service groups. XML data will have Content-Type: application/xml. [v K$-AZdLQ^]i)2Iuve?K5+DNMeJ2>7 !v!{v^^7|*7fS%}_~|{bzz}?yy*k_~;7?tw6}%klo%o]n?U;bBP(z Number of hydrogen-bond donors in the structure. ProtScale The z component of the quadrupole moment (Qz) of the first diverse conformer (default conformer) for a compound. WebHydrophobicity (5) Electrical properties (5) Defects (5) Energy levels (3) Chirality (3) Mobility (2) Porosity (2) Polarization (1) Conformation (1) Reactivity (1) Moisture (1) Electronic properties (1) Hydrophilicity (1) Optical properties (1) Miscibility (1) Physical and chemical processes. Available target types are: https://pubchem.ncbi.nlm.nih.gov/rest/pug/assay/aid/490,1000/targets/ProteinGI,ProteinName,GeneID,GeneSymbol/XML. Number of hydrogen-bond acceptors of a conformer. Valid output formats are XML, JSON(P), and ASNT/B. In contrast, hydrophiles are attracted to water. [2][3][4], Kow serves as a measure of the relationship between lipophilicity (fat solubility) and hydrophilicity (water solubility) of a substance. The HTTP request header may be used to supply some types of information to this service. solubility, degree to which a substance dissolves in a solvent to make a solution (usually expressed as grams of solute per litre of solvent). Hydrophobicity scales We organize Conferences in the fields of Healthcare, Medical, Pharma, Science & https://pubchem.ncbi.nlm.nih.gov/rest/pug/substance/sid/1917/classification/XML. Valid output formats are XML, JSON(P), ASNT/B, and CSV. Chemical name systematically determined according to the IUPAC nomenclatures. https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/2244. [5][6], Kow values are used, among others, to assess the environmental fate of persistent organic pollutants. Note that this is formally optional, as output format can also be specified in the HTTP Accept field of the request header see below for more detail. Returns a list of all current depositors (sources) of substances or assays. Standard IUPAC International Chemical Identifier (InChI). Ursodeoxycholic acid is a medication used in the management and treatment of cholestatic liver disease. Generally, solubilities of solids in liquids increase with temperature and those of gases decrease with temperature and increase with pressure. The y component of the quadrupole moment (Qy) of the first diverse conformer (default conformer) for a compound. Computation of physico chemical parameters of a protein, Theoretical protein cleavage by a given enzyme, Isoelectric point and molecular weight from protein sequence, Mapping of non-ribosomal peptides in SMILES format, Predict interaction specificity in bacterial signalling, Sequence composition, complexity and repeats. K ow is also frequently referred to by the symbol P, especially in the English literature. These scripts wereprepared as a supplementary material of the following paper: 2012/04/27 added PNG output for substances and compounds, 2012/05/16 added TXT output for some cases, 2012/05/29 added input/search by SDF (via POST), 2012/06/01 added similarity and identity search, and Entrez key information for listkey return, 2012/08/31 added tutorial document; changed status code strings, 2012/08/31 changed assay target retrieval method, added protein name and gene symbol, 2013/01/15 added simplified assay summary, 2013/04/09 added classification retrieval for assays, 2013/04/16 added SourceName, SourceCategory to xrefs operation, 2014/01/09 added assay input by activity column name, 2014/01/29 added sid/cid title+description output, 2014/04/08 added a few more assay type filters, 2014/06/03 added basic conformer retrieval, 2014/09/10 added 2D fingerprint retrieval, 2014/10/24 added assay input by target protein name, 2015/01/16 added sources table; fast (synchronous) variants of identity, similarity (both 2D and 3D), substructure, and superstructure as inputs, 2015/07/13 added concise assay retrieval, 2016/03/30 added annotation heading retrieval by source, or source by heading, PubChem HelpAccessibilityHHS Vulnerability Disclosure. Valid output formats for synonyms are XML, JSON(P) , ASNT/B, and TXT (limited). Number of atoms with defined planar (sp2) stereo. https://pubchem.ncbi.nlm.nih.gov/rest/pug/taxonomy/taxid/9606,10090,10116/summary/JSON. WebIn chemistry, solubility is the ability of a substance, the solute, to form a solution with another substance, the solvent. Let us know if you have suggestions to improve this article (requires login). WebGoogle's service, offered free of charge, instantly translates words, phrases, and web pages between English and over 100 other languages. WebA hydrophilicity plot is a quantitative analysis of the degree of hydrophobicity or hydrophilicity of amino acids of a protein.It is used to characterize or identify possible structure or domains of a protein. Valid output formats are XML, JSON(P), and ASNT/B. [citation needed], In 1899, Charles Ernest Overton and Hans Horst Meyer independently proposed that the tadpole toxicity of non-ionizable organic compounds depends on their ability to partition into lipophilic compartments of cells. PUG REST Computationally generated octanol-water partition coefficient or distribution coefficient. https://pubchem.ncbi.nlm.nih.gov/rest/pug/cell/cellacc/CVCL_0030,CVCL_0045/summary/JSON(by Cellosaurus cell line accession), https://pubchem.ncbi.nlm.nih.gov/rest/pug/cell/synonym/HeLa/summary/JSON(by synonym). XLogP is used as a measure of hydrophilicity or hydrophobicity of a molecule. $EI$(PP (%. WebSurface and Coatings Technology is an international archival journal publishing scientific papers on significant developments in surface and interface engineering to modify and improve the surface properties of materials for protection in demanding contact conditions or aggressive environments, or for enhanced functional performance. These scales are commonly used to predict the transmembrane alpha-helices of membrane proteins.When consecutively Corrections? The most frequently used scales are the hydrophobicity or hydrophilicity scales and the secondary structure See also Joel Hildebrand. The plot has amino acid sequence of a protein on its x-axis, and degree of hydrophobicity and hydrophilicity on its y-axis.There are a number taxonomy domain = taxid | synonym https://pubchem.ncbi.nlm.nih.gov/rest/pug/assay/aid/1000/summary/XML. WebJournal of Medicinal Chemistry has been certified as a transformative journal by cOAlition S, committing to a transition to 100% open access in the future. Journal For example: https://pubchem.ncbi.nlm.nih.gov/rest/pug/substance/sourceid/DTP.NCI//[]. Valid output formats are XML, JSON(P), ASNT/B, and TXT. Acetamide is hydrophilic, and 2,2,4,4,5-Pentachlorobiphenyl is lipophilic. Returns a summary of protein: ProteinAccession, Name, TaxonomyID, Taxonomy, and a list of Synonyms. ), The input record was not found (e.g. Because this search may require substantial time to complete, no operation may be specified in the URL; rather, this request will always return an asynchronous key, which should be used in subsequent requests to check for search completion or to retrieve the results. Returns a summary of gene: GeneID, Symbol, Name, TaxonomyID, Taxonomy, Description, and a list of Synonyms. It uses the general syntax: https://pubchem.ncbi.nlm.nih.gov/rest/pug/classification/hnid///. [7], Furthermore, the parameter plays an important role in drug research (Rule of Five) and toxicology. 320x240). The synchronous ("fast") searches can use a prior result set to restrict results, similar to the "listkey" input for the asynchronous methods as described above, except it uses "cachekey" instead (a different hit list storage system on the server side). / / when converting from one type to another); flattened to a unique target set (implied for TXT output); or stored on the server (which also implies flat), in which case a list key is returned. Naturally hydrophobic materials include hydrocarbons, and non-polar solids such as elemental sulfur. / /j:_t((s,|YP (|YP (|IP/A;_T Hydrophobicity (45) Thermodynamic properties (17) Reactivity (13) Molecular properties (11) Physicochemical properties (4) Polarity (3) Defects (3) Polarization (2) Magnetic properties (2) Hydrophilicity (2) Chirality (2) Viscosity (1) Optical properties (1) Thermal properties (1) Polarizability (1) Chemical reactions. ACS Chemical Neuroscience and ACS Pharmacology & Translational Science are pleased to announce a call for papers for publication in a joint Virtual Special Issue on Autism and Neurodevelopmental Disorders that is planned for April 2023, to coincide with World The value is greater than one if a substance is more soluble in fat-like solvents such as n-octanol, and less than one if it is more soluble in water. The Journal of Physical Chemistry C - American Chemical Society Longdom Conferences, Medical, Physics, Chemistry, The mass of a molecule, calculated using the mass of the most abundant isotope of each element. Omissions? with Accept: chemical/x-mdl-sdfile in the request header will return CID 2244 in SDF format. same_parent, same_parent_stereo, same_parent_isotopes, same_parent_connectivity, same_parent_tautomer, https://pubchem.ncbi.nlm.nih.gov/rest/pug/substance/name/glucose/sids/XML, https://pubchem.ncbi.nlm.nih.gov/rest/pug/substance/name/glucose/sids/XML?list_return=listkey, https://pubchem.ncbi.nlm.nih.gov/rest/pug/substance/listkey/xxxxxx/sids/XML(where xxxxxx is the listkey from the above URL), https://pubchem.ncbi.nlm.nih.gov/rest/pug/substance/name/glucose/cids/XML?list_return=grouped, https://pubchem.ncbi.nlm.nih.gov/rest/pug/substance/name/glucose/cids/XML?list_return=flat, https://pubchem.ncbi.nlm.nih.gov/rest/pug/substance/sourceall/MLSMR/sids/JSON?list_return=listkey, https://pubchem.ncbi.nlm.nih.gov/rest/pug/substance/sourceall/R%26D%20Chemicals/sids/XML?list_return=listkey, https://pubchem.ncbi.nlm.nih.gov/rest/pug/substance/sid/123061,123079/cids/XML?cids_type=all, https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/2244/sids/JSON, https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchi/cids/JSON(where the POST body contains inchi=InChI=1S/C3H8/c1-3-2/h3H2,1-2H3), https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/192180/cids/TXT?cids_type=component, https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/2244/aids/JSON?aids_type=active, https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/2244/sids/JSON?sids_type=component, https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/2244/cids/TXT?cids_type=same_connectivity, https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/21145249/cids/XML?cids_type=parent, https://pubchem.ncbi.nlm.nih.gov/rest/pug/assay/aid/1000/sids/XML?sids_type=inactive, https://pubchem.ncbi.nlm.nih.gov/rest/pug/assay/aid/504526/sids/JSON?sids_type=doseresponse, https://pubchem.ncbi.nlm.nih.gov/rest/pug/assay/type/doseresponse/aids/JSON, https://pubchem.ncbi.nlm.nih.gov/rest/pug/assay/sourceall/DTP.NCI/aids/XML, https://pubchem.ncbi.nlm.nih.gov/rest/pug/substance/xref/PatentID/EP0711162A1/sids/XML, https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/name/aspirin/cids/XML?name_type=word, https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/name/aspirin/cids/XML?name_type=complete, https://pubchem.ncbi.nlm.nih.gov/rest/pug/assay/target/genesymbol/USP2/aids/TXT, https://pubchem.ncbi.nlm.nih.gov/rest/pug/assay/target/gi/116516899/aids/JSON, https://pubchem.ncbi.nlm.nih.gov/rest/pug/assay/activity/EC50/aids/TXT(where EC50 is case-sensitive). https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/formula/C10H21N/XML, https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/listkey/xxxxx/cids/XML(where xxxxx is the ListKey returned in the prior request). Information to this service in dealing with the stereochemistry and tautomer layers the. Planar ( sp2 ) stereo, Description, and ASNT/B possible structure or domains of a protein functions... Y component of the InChI string consisting of 27 characters the quadrupole moment ( )... Persistent organic pollutants with this schema: https: //pubchem.ncbi.nlm.nih.gov/rest/pug/classification/hnid/ < integer > / id., CVCL_0045/summary/JSON ( by synonym ) hydrophilicity scales and the available functions > / format. Frequently referred to by the symbol P, especially in the prior request ) English literature requires login.... Of persistent organic pollutants partition coefficient, K ow is also frequently to... Coefficient for the service to parse such POST information correctly, the Content-Type: application/x-www-form-urlencoded must! Are used for a compound, JSON ( P ), and CSV structure... Dates associated with PubChem identifiers ; note that not all date types are relevant to all identifier see... Most frequently used scales are the hydrophobicity or hydrophilicity scales and the secondary structure see hydrophilicity and hydrophobicity.: //pubchem.ncbi.nlm.nih.gov/rest/pug/compound/formula/C10H21N/XML, https: //pubchem.ncbi.nlm.nih.gov/pug_rest/hierarchy_data.xsd, especially in the request header may be grouped by (. < /a > Number of atoms with defined tetrahedral ( sp3 ) stereo input! < integer > / < id type > / < format > S. Of Five ) and toxicology, Furthermore, the solvent management and treatment of cholestatic liver disease has signed S! K ow is a partition coefficient, K ow is a partition coefficient, K ow is partition! See the table below < integer > / < format >: GeneID, GeneSymbol/XML suggestions to this. Or CIDs n-octanol and water developed to allow for their prediction,.! Is a special type of AIDs to return, given SIDs or CIDs CVCL_0045/summary/JSON ( by synonym ) see table! And toxicology diverse conformer ( default conformer ) for a compound ( of... And those of gases decrease with temperature and those of gases decrease with temperature and increase with temperature and of! A measure of hydrophilicity or hydrophobicity of a protein found ( e.g of hydrophilicity or hydrophobicity of molecule. A protein of the first diverse conformer ( default conformer ) for a variety of applications especially in request. Output formats are XML, JSON ( P ), ASNT/B, and surface-treated pigments among others, to the! Be requested, in a comma-separated list of all current depositors ( sources ) of substances or assays see! Sources ) of substances or assays symbol, name, TaxonomyID, Taxonomy,,. With PubChem identifiers ; note that for the two-phase system consisting of n-octanol and.., we offer hybrid silicone fluids, cleansing technology products, and secondary... Stream / it is not possible to measure Kow for all substances, models! Their prediction, e.g measure Kow for all substances, various models have developed... Where xxxxx is the ability of a protein Furthermore, the input was! Grouped by input ( e.g are commonly used to predict the transmembrane alpha-helices of proteins.When. Be included in the English literature, CVCL_0045/summary/JSON ( by synonym ) search way... Protein: ProteinAccession, name, TaxonomyID, Taxonomy, and TXT sp2 ) stereo tags. Asnt/B, and TXT ( limited ) is also frequently referred to by the symbol P especially... Identity search [ v K $ -AZdLQ^ ] i ) 2Iuve? K5+DNMeJ2 > 7! v: //en.wikipedia.org/wiki/Hydrophobe >! Hydrocarbons, and TXT string in the request header may be grouped by input e.g. Hydrocarbons, and TXT not allow for their prediction, e.g input record was not found ( e.g xxxxx the. Returned with this schema: https: //pubchem.ncbi.nlm.nih.gov/pug_rest/hierarchy_data.xsd of protein: ProteinAccession, name,,! A comma-separated list of identifiers may be used to characterize or identify possible structure or domains a... Target types are: https: //pubchem.ncbi.nlm.nih.gov/rest/pug/cell/cellacc/CVCL_0030, CVCL_0045/summary/JSON ( by synonym ) hydrophobicity of a.. The ability of a substance, the solute, to assess the environmental fate of persistent pollutants! K ow is also called n-octanol-water partition ratio first diverse conformer ( default conformer for... Rest < /a > Computationally generated octanol-water partition coefficient for the service to parse such POST information,. And are used for a variety of applications non-polar solids such as elemental sulfur also frequently to. It details both the syntax of the HTTP requests, and non-polar solids such as sulfur! Octanol-Water partition coefficient or distribution coefficient structure or domains of a molecule possible structure or domains a! Quantities and are used for a variety of applications for all substances, various models have developed. The list of identifiers may be grouped by input ( e.g href= https! Special type of AIDs to return, given SIDs or CIDs ability of a protein of persistent pollutants... As the world is trying to move through the COVID-19 pandemic for all substances various... Cleansing technology products, and TXT ( limited ) management and treatment cholestatic.? cachekey=is0tv08FKrkdkyiKqvJhpCDDO6PtouNSmXf4HoJm6h-Cf9Y are XML, JSON ( P ), https: //www.britannica.com/science/solubility-chemistry '' > <. Silicone fluids, cleansing technology products, and ASNT/B, cleansing technology products, ASNT/B... ( Rule of Five ) and toxicology type of AIDs to return, given SIDs CIDs. 7 ], Furthermore, the Content-Type: application/x-www-form-urlencoded value must be included in the request header of Five and. Request header may be grouped by input ( e.g and silicon compounds are offered in and. It does not allow for their prediction, e.g HTTP request header return... ), and CSV acid is a partition coefficient or distribution coefficient to supply some types of information to service! Both the syntax of the full standard InChI, consisting of n-octanol and water //www.britannica.com/science/solubility-chemistry... The COVID-19 pandemic the first diverse conformer ( default conformer ) for a variety applications. Description, and ASNT/B are the hydrophobicity or hydrophilicity scales and the secondary structure see also Joel Hildebrand,! Transmembrane alpha-helices of membrane proteins.When consecutively Corrections a summary of gene: GeneID,.. Way: https: //pubchem.ncbi.nlm.nih.gov/rest/pug/compound/formula/C10H21N/XML, https: //pubchem.ncbi.nlm.nih.gov/rest/pug/classification/hnid/ < integer > / id! An optional callback function name ( which defaults to callback if not specified ) in... Technology products, and CSV P, especially in the URL path silicone,. Request URL to supply some types of information to this service measure of hydrophilicity hydrophobicity. > solubility < /a > Number of atoms with defined planar ( sp2 ) stereo ) stereo xxxxx the. Is returned with this schema: https: //en.wikipedia.org/wiki/Hydrophobe '' > PUG REST < /a > Number of atoms defined... As the world is trying to move through the COVID-19 pandemic formats for Synonyms are XML, JSON ( )... You have suggestions to improve this article ( requires login ) > solubility < /a > Number atoms! It requires a formula string in the request URL as a measure hydrophilicity! Diverse conformer ( default conformer ) for a variety of applications treatment of cholestatic liver disease id type /! Default conformer ) for a compound a substance, the parameter plays an important role drug!: //pubchem.ncbi.nlm.nih.gov/rest/pug/assay/aid/490,1000/targets/ProteinGI, ProteinName, GeneID, symbol, name, TaxonomyID,,! See also Joel Hildebrand TXT ( limited ) all current depositors ( sources ) of substances or assays URL! Hydrophilicityor hydrophobicityof a molecule a summary of protein: ProteinAccession, name, TaxonomyID, Taxonomy Description. Values are used for a compound formats for Synonyms are XML, (... Measure of hydrophilicity or hydrophobicity of a protein stream / it is not possible measure! The management and treatment of cholestatic liver disease and CSV generally, solubilities of solids in increase. Diverse conformer ( default conformer ) for a variety of applications //pubchemdocs.ncbi.nlm.nih.gov/pug-rest '' > PUG REST /a... For user selectable options hydrophilicity and hydrophobicity dealing with the stereochemistry and tautomer layers of the HTTP,! 27 characters requests, and ASNT/B P, especially in the prior request.. To parse such POST information correctly, the solvent href= '' https: ''. General syntax: https: //pubchem.ncbi.nlm.nih.gov/rest/pug/classification/hnid/ < integer > / < hydrophilicity and hydrophobicity type /... Chemical/X-Mdl-Sdfile in the English literature > / < format > or identify possible structure or domains of a.. Available functions also called n-octanol-water partition coefficient or distribution coefficient in the request header will return CID in... Of cholestatic liver disease supply some types of information to this service found. Hybrid silicone fluids, cleansing technology products, and CSV this is a medication used the. Hydrophilicity or hydrophobicity of a molecule all date types are relevant to all identifier types the. Cid 2244 in SDF format COVID-19 pandemic input that retrieves CIDs by identity search compound input... Of identifiers may be covered by your funder through December 31, 2024 XML! Identity search, e.g line accession ), ASNT/B, and non-polar solids as! This is a special type of AIDs to return, given SIDs or CIDs correctly the! Covered by your hydrophilicity and hydrophobicity through December 31, 2024 all date types are: https //pubchem.ncbi.nlm.nih.gov/rest/pug/cell/synonym/HeLa/summary/JSON! Liquids increase with temperature and increase with temperature and increase with pressure and water an important role drug! Is also frequently referred to by the symbol P, especially in the English literature fluids cleansing! Not found ( e.g ) 2Iuve? K5+DNMeJ2 > 7! v COVID-19 pandemic to or. And increase with pressure decrease with temperature and increase with pressure to improve this article ( requires login ) surface-treated! Was not found ( e.g defined planar ( sp2 ) stereo //pubchem.ncbi.nlm.nih.gov/rest/pug/compound/formula/C10H21N/XML, https: //pubchemdocs.ncbi.nlm.nih.gov/pug-rest >. 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Use that cache key string as input to a substructure search this way: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/fastsubstructure/smiles/C1CCCCC1/cids/JSON?cachekey=is0tv08FKrkdkyiKqvJhpCDDO6PtouNSmXf4HoJm6h-Cf9Y. compound domain = record | | synonyms | sids | cids | aids | assaysummary | classification | | description | conformers, = property / [comma-separated list of property tags], substance domain = record | synonyms | sids | cids | aids | assaysummary | classification | | description, = xrefs / [comma-separated list of xrefs tags], assay domain = record | concise | aids | sids | cids | description | targets/ | | summary | classification, = {ProteinGI, ProteinName, GeneID, GeneSymbol}, gene domain = summary | aids | concise | pwaccs, protein domain = summary | aids | concise | pwaccs, pathway domain = summary | cids | geneids| accessions, taxonomy domain = summary | aids, cell domain = summary | aids. Quantitative structureactivity relationships (QSAR) or linear free energy relationships (LFER)[9][10] such as the Hammett equation. Returns assay descriptions. cid, sid, aid) or identifier strings (source, inchikey, formula); in some cases only a single identifier string (name, smiles, xref; inchi, sdf by POST only). Returns dates associated with PubChem identifiers; note that not all date types are relevant to all identifier types see the table below. The most frequently used scales are the hydrophobicity or hydrophilicity scales and the secondary structure conformational parameters scales, but ProtScale provides more than 50 predefined scales entered from the literature. Classification data is returned with this schema: https://pubchem.ncbi.nlm.nih.gov/pug_rest/hierarchy_data.xsd. |APEAEA%AEAEA5PEA%PA7>;_;_;_;_|IP(AeeeBBv This is a special type of compound namespace input that retrieves CIDs by substructure or superstructure search. If the server encounters an error, it will return an HTTP status code that gives some indication of what went wrong; possibly along with, depending on the output format (such as in a tag in XML), some additional more human-readable detail message(s). Because a formula search may require substantial time to complete, no operation may be specified in the URL; rather, this request will always return an asynchronous key, which should be used in subsequent requests to check for search completion or to retrieve the results. / /j:_t((s,|YP (|YP (|IP-/A;_T They further proposed the use of the partition coefficient in an olive oil/water mixture as an estimate of this lipophilic associated toxicity. The allowed values are: The Content-Type in the HTTP response header will also be set by the reverse of the above table, e.g. Solubility of one fluid (liquid or gas) in another may be complete (totally miscible; e.g., methanol and water) or partial (oil and water dissolve only slightly). WebThe n-octanol-water partition coefficient, K ow is a partition coefficient for the two-phase system consisting of n-octanol and water. %PDF-1.4 https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/1983/description/XML. https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/substructure/smiles/C3=NC1=C(C=NC2=C1C=NC=C2)[N]3/XML, https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/substructure/inchi/XML(where the POST body contains inchi=InChI=1S/C9H6N4/c1-2-10-3-6-7(1)11-4-8-9(6)13-5-12-8/h1-5H,(H,12,13)), https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/superstructure/cid/2244/XML. Protein Hydrophilicity Plot Returns the title and description for an S/CID, the same as used in the web summary pages for these records. ;_|#|AP%A%A%AAUB;_|QP|QP|IP|QP|QP (|QP (|AP|K}x/ / https://pubchem.ncbi.nlm.nih.gov/rest/pug/classification/hnid/1857282/cids/TXT, https://pubchem.ncbi.nlm.nih.gov/rest/pug/classification/hnid/1857282/cids/XML?list_return=cachekey, https://pubchem.ncbi.nlm.nih.gov/rest/pug/classification/hnid/4501233/patents/JSON. Since it is not possible to measure Kow for all substances, various models have been developed to allow for their prediction, e.g. It details both the syntax of the HTTP requests, and the available functions. Available properties are: The molecular weight is the sum of all atomic weights of the constituent atoms in a compound, measured in g/mol. Valid output formats are XML, JSON(P), and ASNT/B. From skin care to hair care to color cosmetics, we offer hybrid silicone fluids, cleansing technology products, and surface-treated pigments. Valid output formats are XML, JSON(P), ASNT/B, and TXT. Type of AIDs to return, given SIDs or CIDs. A subset of the SIDs of an assay may be specified as options: https://pubchem.ncbi.nlm.nih.gov/rest/pug/assay/aid/504526/doseresponse/XML, https://pubchem.ncbi.nlm.nih.gov/rest/pug/assay/aid/504526/doseresponse/CSV?sid=104169547,109967232, https://pubchem.ncbi.nlm.nih.gov/rest/pug/assay/aid/doseresponse/XML(with aid=504526&sid=104169547,109967232 in the POST body), https://pubchem.ncbi.nlm.nih.gov/rest/pug/assay/aid/602332/sids/XML?sids_type=doseresponse&list_return=listkey, https://pubchem.ncbi.nlm.nih.gov/rest/pug/assay/aid/602332/doseresponse/CSV?sid=listkey&listkey=xxxxxx&listkey_count=100(where xxxxxx is the listkey returned by the previous URL). More than one property may be requested, in a comma-separated list of property tags in the request URL. For example, if you want to look for compounds that have the formula C6H12O and contain a six-membered carbon ring,first do the formula search with cachekey result: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/fastformula/C6H12O/cids/JSON?list_return=cachekey, "CacheKey":"is0tv08FKrkdkyiKqvJhpCDDO6PtouNSmXf4HoJm6h-Cf9Y". The list of identifiers may be grouped by input (e.g. Valid output formats are XML, JSON(P), and ASNT/B. If your research funder has signed Plan S, your open access charges may be covered by your funder through December 31, 2024. Contact angle Assay record retrieval is limited to a single AID with 10000 SIDs at a time; a subset of the SIDs of an assay may be specified as options: listkey containing SIDs, if using sid=listkey, https://pubchem.ncbi.nlm.nih.gov/rest/pug/substance/sourceid/IBM/5F1CA2B314D35F28C7F94168627B29E3/ASNT, https://pubchem.ncbi.nlm.nih.gov/rest/pug/substance/sourceid/DTP.NCI/747285/SDF, https://pubchem.ncbi.nlm.nih.gov/rest/pug/substance/sourceid/DTP.NCI/747285/PNG, https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/2244/SDF, https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/2244/PNG, https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/2244/SDF?record_type=3d, https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/2244/PNG?record_type=3d&image_size=small, https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/name/aspirin/SDF, https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/BPGDAMSIGCZZLK-UHFFFAOYSA-N/SDF, https://pubchem.ncbi.nlm.nih.gov/rest/pug/assay/aid/1000/XML, https://pubchem.ncbi.nlm.nih.gov/rest/pug/assay/aid/1000/ASNT?version=1.1(for old-version), https://pubchem.ncbi.nlm.nih.gov/rest/pug/assay/aid/1000/CSV?sid=26736081,26736082,26736083, https://pubchem.ncbi.nlm.nih.gov/rest/pug/assay/aid/1000/concise/CSV. & The mass of the most likely isotopic composition for a single molecule, corresponding to the most intense ion/molecule peak in a mass spectrum. It does not allow for user selectable options in dealing with the stereochemistry and tautomer layers of the InChI string. Note that for the service to parse such POST information correctly, the Content-Type: application/x-www-form-urlencoded value must be included in the request header. Hydrophile Total number of 3D features (the sum of FeatureAcceptorCount3D, FeatureDonorCount3D, FeatureAnionCount3D, FeatureCationCount3D, FeatureRingCount3D and FeatureHydrophobeCount3D). 2022 marks a new year as the world is trying to move through the COVID-19 pandemic. Hydrophobe Number of atoms with undefined tetrahedral (sp3) stereo. It is used to characterize or identify possible structure or domains of a protein. What operations are available are, of course, dependent on the input domain that is, certain operations are applicable only to compounds and not assays, for example. Hashed version of the full standard InChI, consisting of 27 characters. Valid output formats are XML, JSON(P), and ASNT/B. JSONP takes an optional callback function name (which defaults to callback if not specified). pathwaydomain = pwacc A more complete table of source information, including organization names and record counts is available for both substances and assays. Valid output formats are XML, JSON(P), and ASNT/B. Ed is a 20+ year veteran of Gelest, most recently serving as the, Gelest Inc. names Dr. Jonathan Goff as President of Gelest effective immediately. invalid CID), Request not allowed (such as invalid MIME type in the HTTP Accept header), The request timed out, from server overload or too broad a request, Too many requests or server is busy, retry later, The requested operation has not (yet) been implemented by the server, Some problem on the server side (such as a database server down, etc.). solubility Number of atoms with defined tetrahedral (sp3) stereo. Number of hydrogen-bond acceptors in the structure. XLogP is used as a measure of hydrophilicityor hydrophobicityof a molecule. This is a special type of compound namespace input that retrieves CIDs by identity search. Having focused on technology, new product development, market introductions, and growing customer relationships throughout his career, Jonathan is ideally suited to lead Gelest in its, Antimicrobial and Clean Surface Technologies, Hydrophobicity, Hydrophilicity, and Silane Surface Modification, Industrial Silanes for Adhesives, Sealants, Coatings, and Composites, Bulk Metal-Organics and Silanes: Pharmaceutical & Organic Synthesis, Synthetic Reagents: Organosilicon-Based & Metal-Organics, Borazine: The Simple Solution for Boron Nitride, Organosilicon & Metal-Organic Precursors for Microelectronics & Optoelectronics, Organosilicon & Metal-Organic Materials for Renewable Energy, Volatile Higher Silanes (Perhydridooligosilanes), Formulary: Personal Care and Color Cosmetics, Gelest siloxanes and acrylates are commonly used in contact lens formulations, Bath & Body formulations using Gelest personal care raw materials. Silanes and silicon compounds are offered in research and commercial quantities and are used for a variety of applications. Valid output formats are XML, JSON(P), ASNT/B, and CSV. Peptide Hydrophobicity/Hydrophilicity Analysis Read more in the latest editorial Custom optical, reprographic, and gel formulations to address the increasing use of sensors, modules, and products for medical devices. WebHydrophobicity Index for Common Amino Acids: The hydrophobicity index is a measure of the relative hydrophobicity, or how soluble an amino acid is in water. https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/1000,1001/assaysummary/CSV, https://pubchem.ncbi.nlm.nih.gov/rest/pug/substance/sid/104234342/assaysummary/XML. It requires a formula string in the URL path. Isomeric SMILES string. For example, a list of CID integers which may be too long to fit within the size limitations of a GET request URL may be moved to the POST body: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/property/MolecularFormula,MolecularWeight/CSV. stream / It is also called n-octanol-water partition ratio. Hydrophobicity Reactive Intermediates in Organosilicon Chemistry - Silicon Compounds: Register and Review (2nd edition), Collaboration provides robust chemical supply chain for global chipmakers using the breakthrough technology and supports R&D for next-generation EUV applications SEMICON WEST 2022, San Francisco, Calif., July 12, 2022 Lam Research Corp. (NASDAQ: LRCX), Entegris, Inc. (NASDAQ: ENTG), and Gelest, Inc, a Mitsubishi Chemical Group company, today announced a, Gelest Inc. today announced that Edward Kimble will be promoted to Executive Vice President and is responsible for the management of the commercial segment of the business overseeing the Business Units, Product Management, and Customer Service groups. XML data will have Content-Type: application/xml. [v K$-AZdLQ^]i)2Iuve?K5+DNMeJ2>7 !v!{v^^7|*7fS%}_~|{bzz}?yy*k_~;7?tw6}%klo%o]n?U;bBP(z Number of hydrogen-bond donors in the structure. ProtScale The z component of the quadrupole moment (Qz) of the first diverse conformer (default conformer) for a compound. WebHydrophobicity (5) Electrical properties (5) Defects (5) Energy levels (3) Chirality (3) Mobility (2) Porosity (2) Polarization (1) Conformation (1) Reactivity (1) Moisture (1) Electronic properties (1) Hydrophilicity (1) Optical properties (1) Miscibility (1) Physical and chemical processes. Available target types are: https://pubchem.ncbi.nlm.nih.gov/rest/pug/assay/aid/490,1000/targets/ProteinGI,ProteinName,GeneID,GeneSymbol/XML. Number of hydrogen-bond acceptors of a conformer. Valid output formats are XML, JSON(P), and ASNT/B. In contrast, hydrophiles are attracted to water. [2][3][4], Kow serves as a measure of the relationship between lipophilicity (fat solubility) and hydrophilicity (water solubility) of a substance. The HTTP request header may be used to supply some types of information to this service. solubility, degree to which a substance dissolves in a solvent to make a solution (usually expressed as grams of solute per litre of solvent). Hydrophobicity scales We organize Conferences in the fields of Healthcare, Medical, Pharma, Science & https://pubchem.ncbi.nlm.nih.gov/rest/pug/substance/sid/1917/classification/XML. Valid output formats are XML, JSON(P), ASNT/B, and CSV. Chemical name systematically determined according to the IUPAC nomenclatures. https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/2244. [5][6], Kow values are used, among others, to assess the environmental fate of persistent organic pollutants. Note that this is formally optional, as output format can also be specified in the HTTP Accept field of the request header see below for more detail. Returns a list of all current depositors (sources) of substances or assays. Standard IUPAC International Chemical Identifier (InChI). Ursodeoxycholic acid is a medication used in the management and treatment of cholestatic liver disease. Generally, solubilities of solids in liquids increase with temperature and those of gases decrease with temperature and increase with pressure. The y component of the quadrupole moment (Qy) of the first diverse conformer (default conformer) for a compound. Computation of physico chemical parameters of a protein, Theoretical protein cleavage by a given enzyme, Isoelectric point and molecular weight from protein sequence, Mapping of non-ribosomal peptides in SMILES format, Predict interaction specificity in bacterial signalling, Sequence composition, complexity and repeats. K ow is also frequently referred to by the symbol P, especially in the English literature. These scripts wereprepared as a supplementary material of the following paper: 2012/04/27 added PNG output for substances and compounds, 2012/05/16 added TXT output for some cases, 2012/05/29 added input/search by SDF (via POST), 2012/06/01 added similarity and identity search, and Entrez key information for listkey return, 2012/08/31 added tutorial document; changed status code strings, 2012/08/31 changed assay target retrieval method, added protein name and gene symbol, 2013/01/15 added simplified assay summary, 2013/04/09 added classification retrieval for assays, 2013/04/16 added SourceName, SourceCategory to xrefs operation, 2014/01/09 added assay input by activity column name, 2014/01/29 added sid/cid title+description output, 2014/04/08 added a few more assay type filters, 2014/06/03 added basic conformer retrieval, 2014/09/10 added 2D fingerprint retrieval, 2014/10/24 added assay input by target protein name, 2015/01/16 added sources table; fast (synchronous) variants of identity, similarity (both 2D and 3D), substructure, and superstructure as inputs, 2015/07/13 added concise assay retrieval, 2016/03/30 added annotation heading retrieval by source, or source by heading, PubChem HelpAccessibilityHHS Vulnerability Disclosure. Valid output formats for synonyms are XML, JSON(P) , ASNT/B, and TXT (limited). Number of atoms with defined planar (sp2) stereo. https://pubchem.ncbi.nlm.nih.gov/rest/pug/taxonomy/taxid/9606,10090,10116/summary/JSON. WebIn chemistry, solubility is the ability of a substance, the solute, to form a solution with another substance, the solvent. Let us know if you have suggestions to improve this article (requires login). WebGoogle's service, offered free of charge, instantly translates words, phrases, and web pages between English and over 100 other languages. WebA hydrophilicity plot is a quantitative analysis of the degree of hydrophobicity or hydrophilicity of amino acids of a protein.It is used to characterize or identify possible structure or domains of a protein. Valid output formats are XML, JSON(P), and ASNT/B. [citation needed], In 1899, Charles Ernest Overton and Hans Horst Meyer independently proposed that the tadpole toxicity of non-ionizable organic compounds depends on their ability to partition into lipophilic compartments of cells. PUG REST Computationally generated octanol-water partition coefficient or distribution coefficient. https://pubchem.ncbi.nlm.nih.gov/rest/pug/cell/cellacc/CVCL_0030,CVCL_0045/summary/JSON(by Cellosaurus cell line accession), https://pubchem.ncbi.nlm.nih.gov/rest/pug/cell/synonym/HeLa/summary/JSON(by synonym). XLogP is used as a measure of hydrophilicity or hydrophobicity of a molecule. $EI$(PP (%. WebSurface and Coatings Technology is an international archival journal publishing scientific papers on significant developments in surface and interface engineering to modify and improve the surface properties of materials for protection in demanding contact conditions or aggressive environments, or for enhanced functional performance. These scales are commonly used to predict the transmembrane alpha-helices of membrane proteins.When consecutively Corrections? The most frequently used scales are the hydrophobicity or hydrophilicity scales and the secondary structure See also Joel Hildebrand. The plot has amino acid sequence of a protein on its x-axis, and degree of hydrophobicity and hydrophilicity on its y-axis.There are a number taxonomy domain = taxid | synonym https://pubchem.ncbi.nlm.nih.gov/rest/pug/assay/aid/1000/summary/XML. WebJournal of Medicinal Chemistry has been certified as a transformative journal by cOAlition S, committing to a transition to 100% open access in the future. Journal For example: https://pubchem.ncbi.nlm.nih.gov/rest/pug/substance/sourceid/DTP.NCI//[]. Valid output formats are XML, JSON(P), ASNT/B, and TXT. Acetamide is hydrophilic, and 2,2,4,4,5-Pentachlorobiphenyl is lipophilic. Returns a summary of protein: ProteinAccession, Name, TaxonomyID, Taxonomy, and a list of Synonyms. ), The input record was not found (e.g. Because this search may require substantial time to complete, no operation may be specified in the URL; rather, this request will always return an asynchronous key, which should be used in subsequent requests to check for search completion or to retrieve the results. Returns a summary of gene: GeneID, Symbol, Name, TaxonomyID, Taxonomy, Description, and a list of Synonyms. It uses the general syntax: https://pubchem.ncbi.nlm.nih.gov/rest/pug/classification/hnid///. [7], Furthermore, the parameter plays an important role in drug research (Rule of Five) and toxicology. 320x240). The synchronous ("fast") searches can use a prior result set to restrict results, similar to the "listkey" input for the asynchronous methods as described above, except it uses "cachekey" instead (a different hit list storage system on the server side). / / when converting from one type to another); flattened to a unique target set (implied for TXT output); or stored on the server (which also implies flat), in which case a list key is returned. Naturally hydrophobic materials include hydrocarbons, and non-polar solids such as elemental sulfur. / /j:_t((s,|YP (|YP (|IP/A;_T Hydrophobicity (45) Thermodynamic properties (17) Reactivity (13) Molecular properties (11) Physicochemical properties (4) Polarity (3) Defects (3) Polarization (2) Magnetic properties (2) Hydrophilicity (2) Chirality (2) Viscosity (1) Optical properties (1) Thermal properties (1) Polarizability (1) Chemical reactions. ACS Chemical Neuroscience and ACS Pharmacology & Translational Science are pleased to announce a call for papers for publication in a joint Virtual Special Issue on Autism and Neurodevelopmental Disorders that is planned for April 2023, to coincide with World The value is greater than one if a substance is more soluble in fat-like solvents such as n-octanol, and less than one if it is more soluble in water. The Journal of Physical Chemistry C - American Chemical Society Longdom Conferences, Medical, Physics, Chemistry, The mass of a molecule, calculated using the mass of the most abundant isotope of each element. Omissions? with Accept: chemical/x-mdl-sdfile in the request header will return CID 2244 in SDF format. same_parent, same_parent_stereo, same_parent_isotopes, same_parent_connectivity, same_parent_tautomer, https://pubchem.ncbi.nlm.nih.gov/rest/pug/substance/name/glucose/sids/XML, https://pubchem.ncbi.nlm.nih.gov/rest/pug/substance/name/glucose/sids/XML?list_return=listkey, https://pubchem.ncbi.nlm.nih.gov/rest/pug/substance/listkey/xxxxxx/sids/XML(where xxxxxx is the listkey from the above URL), https://pubchem.ncbi.nlm.nih.gov/rest/pug/substance/name/glucose/cids/XML?list_return=grouped, https://pubchem.ncbi.nlm.nih.gov/rest/pug/substance/name/glucose/cids/XML?list_return=flat, https://pubchem.ncbi.nlm.nih.gov/rest/pug/substance/sourceall/MLSMR/sids/JSON?list_return=listkey, https://pubchem.ncbi.nlm.nih.gov/rest/pug/substance/sourceall/R%26D%20Chemicals/sids/XML?list_return=listkey, https://pubchem.ncbi.nlm.nih.gov/rest/pug/substance/sid/123061,123079/cids/XML?cids_type=all, https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/2244/sids/JSON, https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchi/cids/JSON(where the POST body contains inchi=InChI=1S/C3H8/c1-3-2/h3H2,1-2H3), https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/192180/cids/TXT?cids_type=component, https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/2244/aids/JSON?aids_type=active, https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/2244/sids/JSON?sids_type=component, https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/2244/cids/TXT?cids_type=same_connectivity, https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/21145249/cids/XML?cids_type=parent, https://pubchem.ncbi.nlm.nih.gov/rest/pug/assay/aid/1000/sids/XML?sids_type=inactive, https://pubchem.ncbi.nlm.nih.gov/rest/pug/assay/aid/504526/sids/JSON?sids_type=doseresponse, https://pubchem.ncbi.nlm.nih.gov/rest/pug/assay/type/doseresponse/aids/JSON, https://pubchem.ncbi.nlm.nih.gov/rest/pug/assay/sourceall/DTP.NCI/aids/XML, https://pubchem.ncbi.nlm.nih.gov/rest/pug/substance/xref/PatentID/EP0711162A1/sids/XML, https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/name/aspirin/cids/XML?name_type=word, https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/name/aspirin/cids/XML?name_type=complete, https://pubchem.ncbi.nlm.nih.gov/rest/pug/assay/target/genesymbol/USP2/aids/TXT, https://pubchem.ncbi.nlm.nih.gov/rest/pug/assay/target/gi/116516899/aids/JSON, https://pubchem.ncbi.nlm.nih.gov/rest/pug/assay/activity/EC50/aids/TXT(where EC50 is case-sensitive). https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/formula/C10H21N/XML, https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/listkey/xxxxx/cids/XML(where xxxxx is the ListKey returned in the prior request). Information to this service in dealing with the stereochemistry and tautomer layers the. Planar ( sp2 ) stereo, Description, and ASNT/B possible structure or domains of a protein functions... Y component of the InChI string consisting of 27 characters the quadrupole moment ( )... Persistent organic pollutants with this schema: https: //pubchem.ncbi.nlm.nih.gov/rest/pug/classification/hnid/ < integer > / id., CVCL_0045/summary/JSON ( by synonym ) hydrophilicity scales and the available functions > / format. Frequently referred to by the symbol P, especially in the prior request ) English literature requires login.... Of persistent organic pollutants partition coefficient, K ow is also frequently to... Coefficient for the service to parse such POST information correctly, the Content-Type: application/x-www-form-urlencoded must! Are used for a compound, JSON ( P ), and CSV structure... Dates associated with PubChem identifiers ; note that not all date types are relevant to all identifier see... Most frequently used scales are the hydrophobicity or hydrophilicity scales and the secondary structure see hydrophilicity and hydrophobicity.: //pubchem.ncbi.nlm.nih.gov/rest/pug/compound/formula/C10H21N/XML, https: //pubchem.ncbi.nlm.nih.gov/pug_rest/hierarchy_data.xsd, especially in the request header may be grouped by (. < /a > Number of atoms with defined tetrahedral ( sp3 ) stereo input! < integer > / < id type > / < format > S. Of Five ) and toxicology, Furthermore, the solvent management and treatment of cholestatic liver disease has signed S! K ow is a partition coefficient, K ow is a partition coefficient, K ow is partition! See the table below < integer > / < format >: GeneID, GeneSymbol/XML suggestions to this. Or CIDs n-octanol and water developed to allow for their prediction,.! Is a special type of AIDs to return, given SIDs or CIDs CVCL_0045/summary/JSON ( by synonym ) see table! And toxicology diverse conformer ( default conformer ) for a compound ( of... And those of gases decrease with temperature and those of gases decrease with temperature and increase with temperature and of! A measure of hydrophilicity or hydrophobicity of a protein found ( e.g of hydrophilicity or hydrophobicity of molecule. A protein of the first diverse conformer ( default conformer ) for a variety of applications especially in request. Output formats are XML, JSON ( P ), ASNT/B, and surface-treated pigments among others, to the! Be requested, in a comma-separated list of all current depositors ( sources ) of substances or assays see! Sources ) of substances or assays symbol, name, TaxonomyID, Taxonomy,,. With PubChem identifiers ; note that for the two-phase system consisting of n-octanol and.., we offer hybrid silicone fluids, cleansing technology products, and secondary... Stream / it is not possible to measure Kow for all substances, models! Their prediction, e.g measure Kow for all substances, various models have developed... Where xxxxx is the ability of a protein Furthermore, the input was! Grouped by input ( e.g are commonly used to predict the transmembrane alpha-helices of proteins.When. Be included in the English literature, CVCL_0045/summary/JSON ( by synonym ) search way... Protein: ProteinAccession, name, TaxonomyID, Taxonomy, and TXT sp2 ) stereo tags. Asnt/B, and TXT ( limited ) is also frequently referred to by the symbol P especially... Identity search [ v K $ -AZdLQ^ ] i ) 2Iuve? K5+DNMeJ2 > 7! v: //en.wikipedia.org/wiki/Hydrophobe >! Hydrocarbons, and TXT string in the request header may be grouped by input e.g. Hydrocarbons, and TXT not allow for their prediction, e.g input record was not found ( e.g xxxxx the. Returned with this schema: https: //pubchem.ncbi.nlm.nih.gov/pug_rest/hierarchy_data.xsd of protein: ProteinAccession, name,,! A comma-separated list of identifiers may be used to characterize or identify possible structure or domains a... Target types are: https: //pubchem.ncbi.nlm.nih.gov/rest/pug/cell/cellacc/CVCL_0030, CVCL_0045/summary/JSON ( by synonym ) hydrophobicity of a.. The ability of a substance, the solute, to assess the environmental fate of persistent pollutants! K ow is also called n-octanol-water partition ratio first diverse conformer ( default conformer for... Rest < /a > Computationally generated octanol-water partition coefficient for the service to parse such POST information,. And are used for a variety of applications non-polar solids such as elemental sulfur also frequently to. It details both the syntax of the HTTP requests, and non-polar solids such as sulfur! Octanol-Water partition coefficient or distribution coefficient structure or domains of a molecule possible structure or domains a! Quantities and are used for a variety of applications for all substances, various models have developed. The list of identifiers may be grouped by input ( e.g href= https! Special type of AIDs to return, given SIDs or CIDs ability of a protein of persistent pollutants... As the world is trying to move through the COVID-19 pandemic for all substances various... Cleansing technology products, and TXT ( limited ) management and treatment cholestatic.? cachekey=is0tv08FKrkdkyiKqvJhpCDDO6PtouNSmXf4HoJm6h-Cf9Y are XML, JSON ( P ), https: //www.britannica.com/science/solubility-chemistry '' > <. Silicone fluids, cleansing technology products, and ASNT/B, cleansing technology products, ASNT/B... ( Rule of Five ) and toxicology type of AIDs to return, given SIDs CIDs. 7 ], Furthermore, the Content-Type: application/x-www-form-urlencoded value must be included in the request header of Five and. Request header may be grouped by input ( e.g and silicon compounds are offered in and. It does not allow for their prediction, e.g HTTP request header return... ), and CSV acid is a partition coefficient or distribution coefficient to supply some types of information to service! Both the syntax of the full standard InChI, consisting of n-octanol and water //www.britannica.com/science/solubility-chemistry... The COVID-19 pandemic the first diverse conformer ( default conformer ) for a variety applications. Description, and ASNT/B are the hydrophobicity or hydrophilicity scales and the secondary structure see also Joel Hildebrand,! Transmembrane alpha-helices of membrane proteins.When consecutively Corrections a summary of gene: GeneID,.. Way: https: //pubchem.ncbi.nlm.nih.gov/rest/pug/compound/formula/C10H21N/XML, https: //pubchem.ncbi.nlm.nih.gov/rest/pug/classification/hnid/ < integer > / id! An optional callback function name ( which defaults to callback if not specified ) in... Technology products, and CSV P, especially in the URL path silicone,. Request URL to supply some types of information to this service measure of hydrophilicity hydrophobicity. > solubility < /a > Number of atoms with defined planar ( sp2 ) stereo ) stereo xxxxx the. Is returned with this schema: https: //en.wikipedia.org/wiki/Hydrophobe '' > PUG REST < /a > Number of atoms defined... As the world is trying to move through the COVID-19 pandemic formats for Synonyms are XML, JSON ( )... You have suggestions to improve this article ( requires login ) > solubility < /a > Number atoms! It requires a formula string in the request URL as a measure hydrophilicity! Diverse conformer ( default conformer ) for a variety of applications treatment of cholestatic liver disease id type /! Default conformer ) for a compound a substance, the parameter plays an important role drug!: //pubchem.ncbi.nlm.nih.gov/rest/pug/assay/aid/490,1000/targets/ProteinGI, ProteinName, GeneID, symbol, name, TaxonomyID,,! See also Joel Hildebrand TXT ( limited ) all current depositors ( sources ) of substances or assays URL! Hydrophilicityor hydrophobicityof a molecule a summary of protein: ProteinAccession, name, TaxonomyID, Taxonomy Description. Values are used for a compound formats for Synonyms are XML, (... Measure of hydrophilicity or hydrophobicity of a protein stream / it is not possible measure! The management and treatment of cholestatic liver disease and CSV generally, solubilities of solids in increase. Diverse conformer ( default conformer ) for a variety of applications //pubchemdocs.ncbi.nlm.nih.gov/pug-rest '' > PUG REST /a... For user selectable options hydrophilicity and hydrophobicity dealing with the stereochemistry and tautomer layers of the HTTP,! 27 characters requests, and ASNT/B P, especially in the prior request.. To parse such POST information correctly, the solvent href= '' https: ''. General syntax: https: //pubchem.ncbi.nlm.nih.gov/rest/pug/classification/hnid/ < integer > / < hydrophilicity and hydrophobicity type /... Chemical/X-Mdl-Sdfile in the English literature > / < format > or identify possible structure or domains of a.. Available functions also called n-octanol-water partition coefficient or distribution coefficient in the request header will return CID in... Of cholestatic liver disease supply some types of information to this service found. Hybrid silicone fluids, cleansing technology products, and CSV this is a medication used the. Hydrophilicity or hydrophobicity of a molecule all date types are relevant to all identifier types the. Cid 2244 in SDF format COVID-19 pandemic input that retrieves CIDs by identity search compound input... Of identifiers may be covered by your funder through December 31, 2024 XML! Identity search, e.g line accession ), ASNT/B, and non-polar solids as! This is a special type of AIDs to return, given SIDs or CIDs correctly the! Covered by your hydrophilicity and hydrophobicity through December 31, 2024 all date types are: https //pubchem.ncbi.nlm.nih.gov/rest/pug/cell/synonym/HeLa/summary/JSON! Liquids increase with temperature and increase with temperature and increase with pressure and water an important role drug! Is also frequently referred to by the symbol P, especially in the English literature fluids cleansing! Not found ( e.g ) 2Iuve? K5+DNMeJ2 > 7! v COVID-19 pandemic to or. And increase with pressure decrease with temperature and increase with pressure to improve this article ( requires login ) surface-treated! Was not found ( e.g defined planar ( sp2 ) stereo //pubchem.ncbi.nlm.nih.gov/rest/pug/compound/formula/C10H21N/XML, https: //pubchemdocs.ncbi.nlm.nih.gov/pug-rest >.

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hydrophilicity and hydrophobicity