Ligand |
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| Ligand Name: 1-(4-{[(2-HYDROXYETHYL)AMINO]CARBONYL}BENZYL)-1-METHYLPIPERIDINIUM | ||
| HET ID: KHA | PubChem: 448962 | |
| DrugBank: - | ChEMBL: CHEMBL1233846 | |
| Canonical SMILES: OCCNC(=O)c1ccc(cc1)C[N+]1(C)CCCCC1 | ||
| Standard InChI: InChI=1S/C16H24N2O2/c1-18(10-3-2-4-11-18)13-14-5-7-15(8-6-14)16(20)17-9-12-19/h5-8,19H,2-4,9-13H2,1H3/p+1 | ||
| Molecular Formula: C16H25N2O2+ | Mol. Weight: 277.3819 | Heavy Atoms: 20 |
| Charge: 1 | Is Chiral: False | logP: 1.8889 |
| HBD: 2 | HBA: 3 | TPSA: 49.33 |
| #Bonds: 21 | #Rotatable Bonds: 6 | Shape Complexity: 0.5625 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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