Ligand |
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| Ligand Name: [2-(2~{H}-1,2,3,4-tetrazol-5-yl)ethanoylamino]azanium | ||
| HET ID: I1L | PubChem: 137332073 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: [NH3+]NC(=O)Cc1n[nH]nn1 | ||
| Standard InChI: InChI=1S/C3H6N6O/c4-5-3(10)1-2-6-8-9-7-2/h1,4H2,(H,5,10)(H,6,7,8,9)/p+1 | ||
| Molecular Formula: C3H7N6O+ | Mol. Weight: 143.12727 | Heavy Atoms: 10 |
| Charge: 1 | Is Chiral: False | logP: -2.5938 |
| HBD: 3 | HBA: 5 | TPSA: 111.2 |
| #Bonds: 14 | #Rotatable Bonds: 3 | Shape Complexity: 0.33333334 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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