Ligand |
||
 | ||
| Ligand Name: trimethyl(3-oxidanylphosphonoylpropyl)azanium | ||
| HET ID: RTK | PubChem: 73167558 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: OP(=O)CCC[N+](C)(C)C | ||
| Standard InChI: InChI=1S/C6H16NO2P/c1-7(2,3)5-4-6-10(8)9/h10H,4-6H2,1-3H3/p+1 | ||
| Molecular Formula: C6H17NO2P+ | Mol. Weight: 166.17844 | Heavy Atoms: 10 |
| Charge: 1 | Is Chiral: False | logP: 0.5497 |
| HBD: 2 | HBA: 2 | TPSA: 60.77 |
| #Bonds: 9 | #Rotatable Bonds: 4 | Shape Complexity: 1.0 |
| Stereocomplexity: 0.16666667 | Ligand Type: Small Molecule | |
Binding Affinity |
|
| Database Name | Value |
| Binding MOAD | IC50 : 520 nM |