Ligand |
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| Ligand Name: 3-(1-Ethyl-1,1-dimethylhydrazin-1-ium-2-yl)propanoic acid | ||
| HET ID: C2T | PubChem: 13794690 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: CC[N+](NCCC(=O)O)(C)C | ||
| Standard InChI: InChI=1S/C7H16N2O2/c1-4-9(2,3)8-6-5-7(10)11/h8H,4-6H2,1-3H3/p+1 | ||
| Molecular Formula: C7H17N2O2+ | Mol. Weight: 161.22208 | Heavy Atoms: 11 |
| Charge: 1 | Is Chiral: False | logP: 0.4529 |
| HBD: 2 | HBA: 3 | TPSA: 49.33 |
| #Bonds: 10 | #Rotatable Bonds: 5 | Shape Complexity: 0.85714287 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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