Ligand |
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| Ligand Name: [3-(2~{H}-1,2,3,4-tetrazol-5-yl)propanoylamino]azanium | ||
| HET ID: BXE | PubChem: 137333960 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: [NH3+]NC(=O)CCc1n[nH]nn1 | ||
| Standard InChI: InChI=1S/C4H8N6O/c5-6-4(11)2-1-3-7-9-10-8-3/h1-2,5H2,(H,6,11)(H,7,8,9,10)/p+1 | ||
| Molecular Formula: C4H9N6O+ | Mol. Weight: 157.15385 | Heavy Atoms: 11 |
| Charge: 1 | Is Chiral: False | logP: -2.2037 |
| HBD: 3 | HBA: 5 | TPSA: 111.2 |
| #Bonds: 15 | #Rotatable Bonds: 4 | Shape Complexity: 0.5 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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