Ligand |
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| Ligand Name: 3-(dimethyl-lambda~4~-sulfanyl)propanoic acid | ||
| HET ID: DQY | PubChem: 416901 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: C[S](CCC(=O)O)C | ||
| Standard InChI: InChI=1S/C5H11O2S/c1-8(2)4-3-5(6)7/h3-4H2,1-2H3,(H,6,7) | ||
| Molecular Formula: C5H11O2S | Mol. Weight: 135.20464 | Heavy Atoms: 8 |
| Charge: 0 | Is Chiral: False | logP: 0.9896 |
| HBD: 1 | HBA: 2 | TPSA: 62.6 |
| #Bonds: 7 | #Rotatable Bonds: 3 | Shape Complexity: 0.8 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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