BindingDB Ligand - 50207816
CAS Registry No. - 96865-92-8
ChEMBL Ligand - CHEMBL273094
PubChem CID - 5697
RCSB PDB Ligand - XAC
GPCRdb Ligand - 404
xanthine amine congener
Structure
Molecular Details
| Molecular mass (Da) | 428.2172 |
| Hydrogen bond acceptors | 9 |
| Hydrogen bond donors | 3 |
| Polar surface area (A2) | 133.65 |
| Lipinski rules broken | 1 |
| logP | 1.463 |
Other Details
| Ligand type | Synthetic organic |
| Radiolabelled | No |
| Approved | No |
| Approval Source |
Responsive Sequences