Ligand |
||
 | ||
| Ligand Name: 4-(ethylamino)-6-[(propan-2-yl)amino]-1,3,5-triazin-2-ol | ||
| HET ID: OKM | PubChem: 5280955, 16553, 135398733 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: CCNc1nc(NC(C)C)nc(n1)O | ||
| Standard InChI: InChI=1S/C8H15N5O/c1-4-9-6-11-7(10-5(2)3)13-8(14)12-6/h5H,4H2,1-3H3,(H3,9,10,11,12,13,14) | ||
| Molecular Formula: C8H15N5O | Mol. Weight: 197.2376 | Heavy Atoms: 14 |
| Charge: 0 | Is Chiral: False | logP: 0.9753 |
| HBD: 3 | HBA: 6 | TPSA: 82.96 |
| #Bonds: 14 | #Rotatable Bonds: 4 | Shape Complexity: 0.625 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
||
- |