Ligand |
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| Ligand Name: BENZOIC ACID | ||
| HET ID: BEZ | PubChem: 20144841243 | |
| DrugBank: DB03793 | ChEMBL: CHEMBL541 | |
| Canonical SMILES: OC(=O)c1ccccc1 | ||
| Standard InChI: InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9) | ||
| Molecular Formula: C7H6O2 | Mol. Weight: 122.12134 | Heavy Atoms: 9 |
| Charge: 0 | Is Chiral: False | logP: 1.3848 |
| HBD: 1 | HBA: 2 | TPSA: 37.3 |
| #Bonds: 9 | #Rotatable Bonds: 1 | Shape Complexity: 0.0 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
|
| Database Name | Value |
| PDBBind | Ki : 3300000 nM |
| Binding MOAD | Ki : 3300000 nM |