Ligand |
||
 | ||
| Ligand Name: (2~{S})-6-methyl-~{N}-propan-2-yl-heptan-2-amine | ||
| HET ID: 9AE | PubChem: 38988589 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: CC(CCC[C@@H](NC(C)C)C)C | ||
| Standard InChI: InChI=1S/C11H25N/c1-9(2)7-6-8-11(5)12-10(3)4/h9-12H,6-8H2,1-5H3/t11-/m0/s1 | ||
| Molecular Formula: C11H25N | Mol. Weight: 171.3229 | Heavy Atoms: 12 |
| Charge: 0 | Is Chiral: True | logP: 3.5901 |
| HBD: 1 | HBA: 1 | TPSA: 12.03 |
| #Bonds: 12 | #Rotatable Bonds: 6 | Shape Complexity: 1.0 |
| Stereocomplexity: 0.09090909 | Ligand Type: Small Molecule | |
Binding Affinity |
||
- |