|
Ligand Download |
||
 | ||
| Ligand Name: XANTHINE | ||
| HET ID: XAN | PubChem: 1188 | |
| DrugBank: DB02134 | ChEMBL: CHEMBL1424 | |
| Canonical SMILES: O=c1[nH]c(=O)c2c([nH]1)[nH]cn2 | ||
| Standard InChI: InChI=1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11) | ||
| Molecular Formula: C5H4N4O2 | Mol. Weight: 152.11086 | Heavy Atoms: 11 |
| Charge: 0 | Is Chiral: False | logP: -1.0605 |
| HBD: 3 | HBA: 3 | TPSA: 94.4 |
| #Bonds: 15 | #Rotatable Bonds: 0 | Shape Complexity: 0.0 |
| Stereocomplexity: 0.0 | ||