Ligand |
||
 | ||
| Ligand Name: N1-(2-hydroxyethyl)-2-methyl-1,2-propanediamine | ||
| HET ID: 9AK | PubChem: 226840 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: OCCNCC(N)(C)C | ||
| Standard InChI: InChI=1S/C6H16N2O/c1-6(2,7)5-8-3-4-9/h8-9H,3-5,7H2,1-2H3 | ||
| Molecular Formula: C6H16N2O | Mol. Weight: 132.20404 | Heavy Atoms: 9 |
| Charge: 0 | Is Chiral: False | logP: 0.3968 |
| HBD: 3 | HBA: 3 | TPSA: 58.28 |
| #Bonds: 8 | #Rotatable Bonds: 4 | Shape Complexity: 1.0 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
||
- |