Ligand |
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| Ligand Name: ADENINE | ||
| HET ID: ADE | PubChem: 190 | |
| DrugBank: DB00173 | ChEMBL: CHEMBL226345 | |
| Canonical SMILES: Nc1ncnc2c1nc[nH]2 | ||
| Standard InChI: InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10) | ||
| Molecular Formula: C5H5N5 | Mol. Weight: 135.1267 | Heavy Atoms: 10 |
| Charge: 0 | Is Chiral: False | logP: 0.5163 |
| HBD: 2 | HBA: 4 | TPSA: 80.48 |
| #Bonds: 12 | #Rotatable Bonds: 0 | Shape Complexity: 0.0 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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