Ligand |
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| Ligand Name: methyl 2-thio-beta-D-glucopyranoside | ||
| HET ID: U2A | PubChem: 132600593 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: CO[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1S)O)O | ||
| Standard InChI: InChI=1S/C7H14O5S/c1-11-7-6(13)5(10)4(9)3(2-8)12-7/h3-10,13H,2H2,1H3/t3-,4-,5+,6-,7-/m1/s1 | ||
| Molecular Formula: C7H14O5S | Mol. Weight: 210.24806 | Heavy Atoms: 13 |
| Charge: 0 | Is Chiral: True | logP: -1.6298 |
| HBD: 4 | HBA: 6 | TPSA: 117.95 |
| #Bonds: 18 | #Rotatable Bonds: 2 | Shape Complexity: 1.0 |
| Stereocomplexity: 0.71428573 | Ligand Type: Small Molecule | |
Binding Affinity |
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