Ligand |
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| Ligand Name: [2-(1-methyl-1,2,3,4-tetrazol-4-ium-5-yl)ethanoylamino]azanium | ||
| HET ID: BWK | PubChem: 137332070 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: [NH3+]NC(=O)Cc1[nH+]nnn1C | ||
| Standard InChI: InChI=1S/C4H8N6O/c1-10-3(7-8-9-10)2-4(11)6-5/h2,5H2,1H3,(H,6,11)/p+2 | ||
| Molecular Formula: C4H10N6O++ | Mol. Weight: 158.1618 | Heavy Atoms: 11 |
| Charge: 2 | Is Chiral: False | logP: -3.1643 |
| HBD: 3 | HBA: 5 | TPSA: 101.59 |
| #Bonds: 15 | #Rotatable Bonds: 3 | Shape Complexity: 0.5 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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