Ligand |
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| Ligand Name: 5-[(2S)-1-methylpyrrolidin-2-yl]pyridin-2-ol | ||
| HET ID: HNL | PubChem: 439383 | |
| DrugBank: - | ChEMBL: CHEMBL1233372 | |
| Canonical SMILES: CN1CCC[C@H]1c1ccc(nc1)O | ||
| Standard InChI: InChI=1S/C10H14N2O/c1-12-6-2-3-9(12)8-4-5-10(13)11-7-8/h4-5,7,9H,2-3,6H2,1H3,(H,11,13)/t9-/m0/s1 | ||
| Molecular Formula: C10H14N2O | Mol. Weight: 178.23096 | Heavy Atoms: 13 |
| Charge: 0 | Is Chiral: True | logP: 1.4918 |
| HBD: 1 | HBA: 3 | TPSA: 36.36 |
| #Bonds: 15 | #Rotatable Bonds: 1 | Shape Complexity: 0.5 |
| Stereocomplexity: 0.1 | Ligand Type: Small Molecule | |
Binding Affinity |
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