Ligand |
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| Ligand Name: (~{R})-azanyl(pyridin-3-yl)methanethiol | ||
| HET ID: M58 | PubChem: 146018697 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: N[C@@H](c1cccnc1)S | ||
| Standard InChI: InChI=1S/C6H8N2S/c7-6(9)5-2-1-3-8-4-5/h1-4,6,9H,7H2/t6-/m1/s1 | ||
| Molecular Formula: C6H8N2S | Mol. Weight: 140.20612 | Heavy Atoms: 9 |
| Charge: 0 | Is Chiral: True | logP: 1.669 |
| HBD: 2 | HBA: 3 | TPSA: 77.71 |
| #Bonds: 10 | #Rotatable Bonds: 1 | Shape Complexity: 0.16666667 |
| Stereocomplexity: 0.16666667 | Ligand Type: Small Molecule | |
Binding Affinity |
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