Ligand |
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| Ligand Name: [4-(2~{H}-1,2,3,4-tetrazol-5-yl)butanoylamino]azanium | ||
| HET ID: BX5 | PubChem: 137332075 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: [NH3+]NC(=O)CCCc1n[nH]nn1 | ||
| Standard InChI: InChI=1S/C5H10N6O/c6-7-5(12)3-1-2-4-8-10-11-9-4/h1-3,6H2,(H,7,12)(H,8,9,10,11)/p+1 | ||
| Molecular Formula: C5H11N6O+ | Mol. Weight: 171.18044 | Heavy Atoms: 12 |
| Charge: 1 | Is Chiral: False | logP: -1.8136 |
| HBD: 3 | HBA: 5 | TPSA: 111.2 |
| #Bonds: 16 | #Rotatable Bonds: 5 | Shape Complexity: 0.6 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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