Ligand |
||
 | ||
| Ligand Name: (1S,3R,4S)-3,4-dihydroxy-5-oxocyclohexane-1-carboxylic acid | ||
| Ligand Type: non-polymer | ||
| Ligand ID: COVPDB817 | PubChem: 89030338 | |
Synonym(s):
|
||
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: O[C@@H]1C[C@@H](CC(=O)[C@H]1O)C(O)=O | ||
| Standard InChI: InChI=1S/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h3-4,6,8,10H,1-2H2,(H,11,12)/t3-,4+,6-/m0/s1 | ||
| Molecular Formula: C7H10O5 | Mol. Weight: 174.05283 | logP: -1.2281 |
| HBD: 3 | HBA: 4 | |
| #Rotatable Bonds: 1 | TPSA: 94.83 | |