Ligand |
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| Ligand Name: dodecane-1,12-diamine | ||
| HET ID: 297 | PubChem: 17727 | |
| DrugBank: - | ChEMBL: CHEMBL69590 | |
| Canonical SMILES: NCCCCCCCCCCCCN | ||
| Standard InChI: InChI=1S/C12H28N2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h1-14H2 | ||
| Molecular Formula: C12H28N2 | Mol. Weight: 200.36412 | Heavy Atoms: 14 |
| Charge: 0 | Is Chiral: False | logP: 4.2054 |
| HBD: 2 | HBA: 2 | TPSA: 52.04 |
| #Bonds: 13 | #Rotatable Bonds: 11 | Shape Complexity: 1.0 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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