Ligand |
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| Ligand Name: 3-(1,1,1,2-TETRAMETHYLHYDRAZIN-1-IUM-2-YL)PROPANOATE | ||
| HET ID: RUJ | PubChem: 73167560 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: CN([N+](C)(C)C)CCC(=O)O | ||
| Standard InChI: InChI=1S/C7H16N2O2/c1-8(9(2,3)4)6-5-7(10)11/h5-6H2,1-4H3/p+1 | ||
| Molecular Formula: C7H17N2O2+ | Mol. Weight: 161.22208 | Heavy Atoms: 11 |
| Charge: 1 | Is Chiral: False | logP: 0.0141 |
| HBD: 1 | HBA: 3 | TPSA: 40.54 |
| #Bonds: 10 | #Rotatable Bonds: 4 | Shape Complexity: 0.85714287 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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| Database Name | Value |
| Binding MOAD | Kd : 9300 nM |