Ligand |
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| Ligand Name: propionylthiocholine | ||
| HET ID: QFJ | PubChem: 74633 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: CCC(=O)SCC[N+](C)(C)C | ||
| Standard InChI: InChI=1S/C8H18NOS/c1-5-8(10)11-7-6-9(2,3)4/h5-7H2,1-4H3/q+1 | ||
| Molecular Formula: C8H18NOS+ | Mol. Weight: 176.29962 | Heavy Atoms: 11 |
| Charge: 1 | Is Chiral: False | logP: 1.3624 |
| HBD: 0 | HBA: 2 | TPSA: 42.37 |
| #Bonds: 10 | #Rotatable Bonds: 5 | Shape Complexity: 0.875 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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