Ligand |
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| Ligand Name: N-9-(1',2',3',4'-TETRAHYDROACRIDINYL)-1,8-DIAMINOOCTANE | ||
| HET ID: A8N | PubChem: 5287586 | |
| DrugBank: DB04617 | ChEMBL: CHEMBL1230752 | |
| Canonical SMILES: [NH3+]CCCCCCCCNc1c2CCCCc2[nH+]c2c1cccc2 | ||
| Standard InChI: InChI=1S/C21H31N3/c22-15-9-3-1-2-4-10-16-23-21-17-11-5-7-13-19(17)24-20-14-8-6-12-18(20)21/h5,7,11,13H,1-4,6,8-10,12,14-16,22H2,(H,23,24)/p+2 | ||
| Molecular Formula: C21H33N3++ | Mol. Weight: 327.5068 | Heavy Atoms: 24 |
| Charge: 2 | Is Chiral: False | logP: 3.6001 |
| HBD: 3 | HBA: 1 | TPSA: 53.81 |
| #Bonds: 30 | #Rotatable Bonds: 9 | Shape Complexity: 0.5714286 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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