Ligand |
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| Ligand Name: N,N-dimethyl-1-[(4-phenylphenyl)methyl]pyridin-1-ium-4-amine | ||
| HET ID: GQG | PubChem: 8865270 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: CN(c1cc[n+](cc1)Cc1ccc(cc1)c1ccccc1)C | ||
| Standard InChI: InChI=1S/C20H21N2/c1-21(2)20-12-14-22(15-13-20)16-17-8-10-19(11-9-17)18-6-4-3-5-7-18/h3-15H,16H2,1-2H3/q+1 | ||
| Molecular Formula: C20H21N2+ | Mol. Weight: 289.39413 | Heavy Atoms: 22 |
| Charge: 1 | Is Chiral: False | logP: 3.7554 |
| HBD: 0 | HBA: 1 | TPSA: 7.12 |
| #Bonds: 24 | #Rotatable Bonds: 4 | Shape Complexity: 0.15 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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