Ligand |
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| Ligand Name: 1-(phenylmethyl)-4-pyrrolidin-1-yl-pyridin-1-ium | ||
| HET ID: QTK | PubChem: 22613603 | |
| DrugBank: - | ChEMBL: CHEMBL1789489 | |
| Canonical SMILES: c1ccc(cc1)C[n+]1ccc(cc1)N1CCCC1 | ||
| Standard InChI: InChI=1S/C16H19N2/c1-2-6-15(7-3-1)14-17-12-8-16(9-13-17)18-10-4-5-11-18/h1-3,6-9,12-13H,4-5,10-11,14H2/q+1 | ||
| Molecular Formula: C16H19N2+ | Mol. Weight: 239.33546 | Heavy Atoms: 18 |
| Charge: 1 | Is Chiral: False | logP: 2.6876 |
| HBD: 0 | HBA: 1 | TPSA: 7.12 |
| #Bonds: 20 | #Rotatable Bonds: 3 | Shape Complexity: 0.3125 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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