Ligand |
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| Ligand Name: ~{N}-methyl-5,6,7,8-tetrahydroquinolin-4-amine | ||
| HET ID: M1H | PubChem: 89053215 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: CNc1ccnc2c1CCCC2 | ||
| Standard InChI: InChI=1S/C10H14N2/c1-11-9-6-7-12-10-5-3-2-4-8(9)10/h6-7H,2-5H2,1H3,(H,11,12) | ||
| Molecular Formula: C10H14N2 | Mol. Weight: 162.23157 | Heavy Atoms: 12 |
| Charge: 0 | Is Chiral: False | logP: 2.0751 |
| HBD: 1 | HBA: 2 | TPSA: 24.92 |
| #Bonds: 13 | #Rotatable Bonds: 1 | Shape Complexity: 0.5 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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