(S)-2-Hydroxy-3-(1H-Imidazol-4-Yl)Propanoic Acid
Representations & DB's id
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| ChEBI: | CHEBI:16373 | |
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| ChEMBL: | CHEMBL3251663 | |
| PubChem: | 440129 | |
| IUPAC: | (2S)-2-hydroxy-3-(1H-imidazol-5-yl)propanoic acid | |
| Standard InChI: | InChI=1S/C6H8N2O3/c9-5(6(10)11)1-4-2-7-3-8-4/h2-3,5,9H,1H2,(H,7,8)(H,10,11)/t5-/m0/s1 | |
| Standard InChI Key: | ACZFBYCNAVEFLC-YFKPBYRVSA-N | |
| SMILES: | O[C@H](C(=O)O)Cc1cnc[nH]1 | |
Molecular propeties
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| AlogP: | -0.6 | |
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| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 3 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 1 | |
| Molecular Weight: | 156.05 | |
| Topological polar surface area: | 86.2 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.333 | |
| Number of carbons: | 6 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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