Ligand |
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| Ligand Name: (2R)-2-hydroxy-N,N,N-trimethyl-2-phosphonoethan-1-aminium | ||
| HET ID: KVP | PubChem: 137347774 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: O[C@H](P(=O)(O)O)C[N+](C)(C)C | ||
| Standard InChI: InChI=1S/C5H14NO4P/c1-6(2,3)4-5(7)11(8,9)10/h5,7H,4H2,1-3H3,(H-,8,9,10)/p+1/t5-/m1/s1 | ||
| Molecular Formula: C5H15NO4P+ | Mol. Weight: 184.15067 | Heavy Atoms: 11 |
| Charge: 1 | Is Chiral: True | logP: -0.8113 |
| HBD: 3 | HBA: 4 | TPSA: 87.57 |
| #Bonds: 11 | #Rotatable Bonds: 3 | Shape Complexity: 1.0 |
| Stereocomplexity: 0.2 | Ligand Type: Small Molecule | |
Binding Affinity |
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