Ligand |
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| Ligand Name: DECAMETHONIUM ION | ||
| HET ID: DME | PubChem: 2968 | |
| DrugBank: DB01245 | ChEMBL: CHEMBL1190 | |
| Canonical SMILES: C[N+](CCCCCCCCCC[N+](C)(C)C)(C)C | ||
| Standard InChI: InChI=1S/C16H38N2/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6/h7-16H2,1-6H3/q+2 | ||
| Molecular Formula: C16H38N2++ | Mol. Weight: 258.48633 | Heavy Atoms: 18 |
| Charge: 2 | Is Chiral: False | logP: 3.5196 |
| HBD: 0 | HBA: 0 | TPSA: 0.0 |
| #Bonds: 17 | #Rotatable Bonds: 11 | Shape Complexity: 1.0 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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| Database Name | Value |
| BindingDB | Ki : 460 nM, Ki : 3500 nM, Ki : 1000 nM (5900 nM) |