Ligand |
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| Ligand Name: 2-(4-methylpiperazin-1-yl)aniline | ||
| HET ID: QSS | PubChem: 286547 | |
| DrugBank: - | ChEMBL: CHEMBL1879790 | |
| Canonical SMILES: CN1CCN(CC1)c1ccccc1N | ||
| Standard InChI: InChI=1S/C11H17N3/c1-13-6-8-14(9-7-13)11-5-3-2-4-10(11)12/h2-5H,6-9,12H2,1H3 | ||
| Molecular Formula: C11H17N3 | Mol. Weight: 191.27278 | Heavy Atoms: 14 |
| Charge: 0 | Is Chiral: False | logP: 1.6047 |
| HBD: 1 | HBA: 3 | TPSA: 32.5 |
| #Bonds: 15 | #Rotatable Bonds: 1 | Shape Complexity: 0.45454547 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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