Ligand |
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| Ligand Name: 4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE | ||
| HET ID: CTN | PubChem: 6175 | |
| DrugBank: DB02097 | ChEMBL: CHEMBL95606 | |
| Canonical SMILES: OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc(nc1=O)N | ||
| Standard InChI: InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7-,8-/m1/s1 | ||
| Molecular Formula: C9H13N3O5 | Mol. Weight: 243.21661 | Heavy Atoms: 17 |
| Charge: 0 | Is Chiral: True | logP: -1.9818 |
| HBD: 4 | HBA: 8 | TPSA: 130.83 |
| #Bonds: 22 | #Rotatable Bonds: 2 | Shape Complexity: 0.5555556 |
| Stereocomplexity: 0.44444445 | Ligand Type: Small Molecule | |
Binding Affinity |
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