Ligand |
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| Ligand Name: OCTANE 1,8-DIAMINE | ||
| HET ID: DIA | PubChem: 24250 | |
| DrugBank: DB04333 | ChEMBL: CHEMBL29392 | |
| Canonical SMILES: NCCCCCCCCN | ||
| Standard InChI: InChI=1S/C8H20N2/c9-7-5-3-1-2-4-6-8-10/h1-10H2 | ||
| Molecular Formula: C8H20N2 | Mol. Weight: 144.2578 | Heavy Atoms: 10 |
| Charge: 0 | Is Chiral: False | logP: 2.645 |
| HBD: 2 | HBA: 2 | TPSA: 52.04 |
| #Bonds: 9 | #Rotatable Bonds: 7 | Shape Complexity: 1.0 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
|
| Database Name | Value |
| BindingDB | Ki : 300 nM |
| Binding MOAD | Ki : 300 nM |