Ligand |
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| Ligand Name: ACETYLTHIOCHOLINE | ||
| HET ID: AT3 | PubChem: 20544 | |
| DrugBank: - | ChEMBL: CHEMBL1231076 | |
| Canonical SMILES: CC(=O)SCC[N+](C)(C)C | ||
| Standard InChI: InChI=1S/C7H16NOS/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1 | ||
| Molecular Formula: C7H16NOS+ | Mol. Weight: 162.27304 | Heavy Atoms: 10 |
| Charge: 1 | Is Chiral: False | logP: 0.9723 |
| HBD: 0 | HBA: 2 | TPSA: 42.37 |
| #Bonds: 9 | #Rotatable Bonds: 4 | Shape Complexity: 0.85714287 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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