Ligand |
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| Ligand Name: ethyl 2-(2~{H}-1,2,3,4-tetrazol-5-yl)ethanoate | ||
| HET ID: BXH | PubChem: 543616 | |
| DrugBank: - | ChEMBL: CHEMBL1528738 | |
| Canonical SMILES: CCOC(=O)Cc1n[nH]nn1 | ||
| Standard InChI: InChI=1S/C5H8N4O2/c1-2-11-5(10)3-4-6-8-9-7-4/h2-3H2,1H3,(H,6,7,8,9) | ||
| Molecular Formula: C5H8N4O2 | Mol. Weight: 156.14262 | Heavy Atoms: 11 |
| Charge: 0 | Is Chiral: False | logP: -0.6947 |
| HBD: 1 | HBA: 5 | TPSA: 80.76 |
| #Bonds: 12 | #Rotatable Bonds: 4 | Shape Complexity: 0.6 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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