Ligand |
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| Ligand Name: SPHINGOSINE | ||
| HET ID: SPH | PubChem: 444299 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: CCCCCCCCCCCCCC=CC(C(CO)N)O | ||
| Standard InChI: InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3 | ||
| Molecular Formula: C18H37NO2 | Mol. Weight: 299.49188 | Heavy Atoms: 21 |
| Charge: 0 | Is Chiral: True | logP: 4.6245 |
| HBD: 3 | HBA: 3 | TPSA: 66.48 |
| #Bonds: 20 | #Rotatable Bonds: 15 | Shape Complexity: 0.8888889 |
| Stereocomplexity: 0.11111111 | Ligand Type: Small Molecule | |
Binding Affinity |
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