Ligand |
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| Ligand Name: 4-carboxy-1,1-dimethylpiperidin-1-ium | ||
| HET ID: 449 | PubChem: 71385008 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: OC(=O)C1CC[N+](CC1)(C)C | ||
| Standard InChI: InChI=1S/C8H15NO2/c1-9(2)5-3-7(4-6-9)8(10)11/h7H,3-6H2,1-2H3/p+1 | ||
| Molecular Formula: C8H16NO2+ | Mol. Weight: 158.21814 | Heavy Atoms: 11 |
| Charge: 1 | Is Chiral: False | logP: 0.5162 |
| HBD: 1 | HBA: 2 | TPSA: 37.3 |
| #Bonds: 11 | #Rotatable Bonds: 1 | Shape Complexity: 0.875 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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