Ligand |
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| Ligand Name: 5'-DEOXYADENOSINE | ||
| HET ID: 5AD | PubChem: 439182 | |
| DrugBank: - | ChEMBL: CHEMBL443485 | |
| Canonical SMILES: C[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | ||
| Standard InChI: InChI=1S/C10H13N5O3/c1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15/h2-4,6-7,10,16-17H,1H3,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 | ||
| Molecular Formula: C10H13N5O3 | Mol. Weight: 251.24191 | Heavy Atoms: 18 |
| Charge: 0 | Is Chiral: True | logP: -0.3712 |
| HBD: 3 | HBA: 8 | TPSA: 119.31 |
| #Bonds: 24 | #Rotatable Bonds: 1 | Shape Complexity: 0.5 |
| Stereocomplexity: 0.4 | Ligand Type: Small Molecule | |
Binding Affinity |
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