Ligand |
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| Ligand Name: ADENOSINE | ||
| HET ID: ADN | PubChem: 60961 | |
| DrugBank: DB00640 | ChEMBL: CHEMBL477 | |
| Canonical SMILES: OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | ||
| Standard InChI: InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 | ||
| Molecular Formula: C10H13N5O4 | Mol. Weight: 267.24133 | Heavy Atoms: 19 |
| Charge: 0 | Is Chiral: True | logP: -1.3988 |
| HBD: 4 | HBA: 9 | TPSA: 139.54 |
| #Bonds: 25 | #Rotatable Bonds: 2 | Shape Complexity: 0.5 |
| Stereocomplexity: 0.4 | Ligand Type: Small Molecule | |
Binding Affinity |
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