Ligand |
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| Ligand Name: PHOSPHOCHOLINE | ||
| HET ID: PC | PubChem: 1014 | |
| DrugBank: DB03945 | ChEMBL: CHEMBL1235161 | |
| Canonical SMILES: OP(=O)(OCC[N+](C)(C)C)O | ||
| Standard InChI: InChI=1S/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p+1 | ||
| Molecular Formula: C5H15NO4P+ | Mol. Weight: 184.15067 | Heavy Atoms: 11 |
| Charge: 1 | Is Chiral: False | logP: -0.1981 |
| HBD: 2 | HBA: 4 | TPSA: 76.57 |
| #Bonds: 10 | #Rotatable Bonds: 4 | Shape Complexity: 1.0 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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