Ligand |
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| Ligand Name: 2-(cyclohexylamino)benzoic acid | ||
| HET ID: 3B4 | PubChem: 19826721 | |
| DrugBank: DB07038 | ChEMBL: CHEMBL1230085 | |
| Canonical SMILES: OC(=O)c1ccccc1NC1CCCCC1 | ||
| Standard InChI: InChI=1S/C13H17NO2/c15-13(16)11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h4-5,8-10,14H,1-3,6-7H2,(H,15,16) | ||
| Molecular Formula: C13H17NO2 | Mol. Weight: 219.27959 | Heavy Atoms: 16 |
| Charge: 0 | Is Chiral: False | logP: 3.2024 |
| HBD: 2 | HBA: 3 | TPSA: 49.33 |
| #Bonds: 17 | #Rotatable Bonds: 3 | Shape Complexity: 0.46153846 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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