Ligand |
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| Ligand Name: 4-(Trimethylammonio)pentanoic acid | ||
| HET ID: MZT | PubChem: 73167559 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: C[C@@H]([N+](C)(C)C)CCC(=O)O | ||
| Standard InChI: InChI=1S/C8H17NO2/c1-7(9(2,3)4)5-6-8(10)11/h7H,5-6H2,1-4H3/p+1/t7-/m1/s1 | ||
| Molecular Formula: C8H18NO2+ | Mol. Weight: 160.23402 | Heavy Atoms: 11 |
| Charge: 1 | Is Chiral: True | logP: 0.9459 |
| HBD: 1 | HBA: 2 | TPSA: 37.3 |
| #Bonds: 11 | #Rotatable Bonds: 4 | Shape Complexity: 0.875 |
| Stereocomplexity: 0.125 | Ligand Type: Small Molecule | |
Binding Affinity |
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| Database Name | Value |
| Binding MOAD | Kd : 4100 nM |