Ligand |
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| Ligand Name: THYMIDINE | ||
| HET ID: THM | PubChem: 5789 | |
| DrugBank: DB04485 | ChEMBL: CHEMBL52609 | |
| Canonical SMILES: OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O | ||
| Standard InChI: InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1 | ||
| Molecular Formula: C10H14N2O5 | Mol. Weight: 242.22856 | Heavy Atoms: 17 |
| Charge: 0 | Is Chiral: True | logP: -1.5143 |
| HBD: 3 | HBA: 6 | TPSA: 104.55 |
| #Bonds: 22 | #Rotatable Bonds: 2 | Shape Complexity: 0.6 |
| Stereocomplexity: 0.3 | Ligand Type: Small Molecule | |
Binding Affinity |
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