Ligand |
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| Ligand Name: (1S)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(octadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate | ||
| HET ID: L9Q | PubChem: 23727970 | |
| DrugBank: - | ChEMBL: CHEMBL1233945 | |
| Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)OC[C@H](OC(=O)CCCCCCC/C=CCCCCCCCC)CO[P@](=O)(OCCN)O | ||
| Standard InChI: InChI=1S/C41H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,39H,3-17,19,21-38,42H2,1-2H3,(H,45,46)/b20-18-/t39-/m0/s1 | ||
| Molecular Formula: C41H80NO8P | Mol. Weight: 746.04956 | Heavy Atoms: 51 |
| Charge: 0 | Is Chiral: True | logP: 12.533 |
| HBD: 2 | HBA: 9 | TPSA: 144.19 |
| #Bonds: 51 | #Rotatable Bonds: 42 | Shape Complexity: 0.902439 |
| Stereocomplexity: 0.048780486 | Ligand Type: Small Molecule | |
Binding Affinity |
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