Ligand |
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| Ligand Name: [[(2~{R})-2-(5-phenylpentanoylamino)-2-(2~{H}-1,2,3,4-tetrazol-5-yl)ethanoyl]amino]azanium | ||
| HET ID: FJB | PubChem: 145864178 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: [NH3+]NC(=O)[C@@H](c1n[nH]nn1)NC(=O)CCCCc1ccccc1 | ||
| Standard InChI: InChI=1S/C14H19N7O2/c15-17-14(23)12(13-18-20-21-19-13)16-11(22)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7,12H,4-5,8-9,15H2,(H,16,22)(H,17,23)(H,18,19,20,21)/p+1/t12-/m1/s1 | ||
| Molecular Formula: C14H20N7O2+ | Mol. Weight: 318.3543 | Heavy Atoms: 23 |
| Charge: 1 | Is Chiral: True | logP: -0.1751 |
| HBD: 4 | HBA: 7 | TPSA: 140.3 |
| #Bonds: 29 | #Rotatable Bonds: 10 | Shape Complexity: 0.35714287 |
| Stereocomplexity: 0.071428575 | Ligand Type: Small Molecule | |
Binding Affinity |
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