Ligand |
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| Ligand Name: 4-(dipropylamino)butanenitrile | ||
| HET ID: 9AH | PubChem: 98747 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: CCCN(CCCC#N)CCC | ||
| Standard InChI: InChI=1S/C10H20N2/c1-3-8-12(9-4-2)10-6-5-7-11/h3-6,8-10H2,1-2H3 | ||
| Molecular Formula: C10H20N2 | Mol. Weight: 168.2792 | Heavy Atoms: 12 |
| Charge: 0 | Is Chiral: False | logP: 2.41218 |
| HBD: 0 | HBA: 2 | TPSA: 27.03 |
| #Bonds: 11 | #Rotatable Bonds: 7 | Shape Complexity: 1.0 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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