Ligand |
||
 | ||
| Ligand Name: 2-AZASQUALENE | ||
| HET ID: SQA | PubChem: 448904 | |
| DrugBank: DB03874 | ChEMBL: CHEMBL1236034 | |
| Canonical SMILES: CN(CCC/C(=C/CC/C(=C/CC/C=C(/CC/C=C(/CCC=C(C)C)C)C)/C)/C)C | ||
| Standard InChI: InChI=1S/C29H51N/c1-25(2)15-11-18-28(5)21-12-19-26(3)16-9-10-17-27(4)20-13-22-29(6)23-14-24-30(7)8/h15-17,21-22H,9-14,18-20,23-24H2,1-8H3/b26-16+,27-17+,28-21+,29-22+ | ||
| Molecular Formula: C29H51N | Mol. Weight: 413.72195 | Heavy Atoms: 30 |
| Charge: 0 | Is Chiral: False | logP: 9.2004 |
| HBD: 0 | HBA: 1 | TPSA: 3.24 |
| #Bonds: 29 | #Rotatable Bonds: 16 | Shape Complexity: 0.6551724 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
||
- |