Ligand |
||
 | ||
| Ligand Name: 2‐benzyl‐3,4‐epithiobutanoic acid | ||
| Ligand Type: non-polymer | ||
| Ligand ID: COVPDB586 | PubChem: - | |
| Synonym(s): - | ||
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: C1S[C@H]1[C@H](C([O-])=O)Cc2ccccc2 | ||
| Standard InChI: InChI=1S/C11H12O2S/c12-11(13)9(10-7-14-10)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,12,13)/p-1/t9-,10-/m1/s1 | ||
| Molecular Formula: C11H11O2S- | Mol. Weight: 207.04852 | logP: 0.7106 |
| HBD: 0 | HBA: 3 | |
| #Rotatable Bonds: 4 | TPSA: 40.13 | |