Ligand |
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| Ligand Name: 3-(4-piperidyl)propanoic acid | ||
| HET ID: BV7 | PubChem: 1520806, 40479434 | |
| DrugBank: - | ChEMBL: CHEMBL110858 | |
| Canonical SMILES: OC(=O)CCC1CCNCC1 | ||
| Standard InChI: InChI=1S/C8H15NO2/c10-8(11)2-1-7-3-5-9-6-4-7/h7,9H,1-6H2,(H,10,11) | ||
| Molecular Formula: C8H15NO2 | Mol. Weight: 157.2102 | Heavy Atoms: 11 |
| Charge: 0 | Is Chiral: False | logP: 1.1796 |
| HBD: 2 | HBA: 3 | TPSA: 49.33 |
| #Bonds: 11 | #Rotatable Bonds: 3 | Shape Complexity: 0.875 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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