ChEMBL Ligand - CHEMBL460491
PubChem CID - 25147749
RCSB PDB Ligand - ITD&sid=3ODU
RCSB PDB Ligand - ITD
GPCRdb Ligand - 2899
isothiourea-1t
Structure
Molecular Details
| Molecular mass (Da) | 406.2225 |
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 1 |
| Polar surface area (A2) | 90.59 |
| Lipinski rules broken | 1 |
| logP | 5.993 |
Other Details
| Ligand type | Synthetic organic |
| Radiolabelled | No |
| Approved | No |
| Approval Source |