Ligand |
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| Ligand Name: 3-Carboxy-N-(2-fluoroethyl)-N,N-dimethylpropan-1-aminium | ||
| HET ID: DLT | PubChem: 70673858 | |
| DrugBank: - | ChEMBL: CHEMBL3306341 | |
| Canonical SMILES: FCC[N+](CCCC(=O)O)(C)C | ||
| Standard InChI: InChI=1S/C8H16FNO2/c1-10(2,7-5-9)6-3-4-8(11)12/h3-7H2,1-2H3/p+1 | ||
| Molecular Formula: C8H17FNO2+ | Mol. Weight: 178.22449 | Heavy Atoms: 12 |
| Charge: 1 | Is Chiral: False | logP: 0.8971 |
| HBD: 1 | HBA: 2 | TPSA: 37.3 |
| #Bonds: 11 | #Rotatable Bonds: 6 | Shape Complexity: 0.875 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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| Database Name | Value |
| Binding MOAD | IC50 : 610 nM |