(S)-5-iodowillardiine

Ligand id: 4071

Name: (S)-5-iodowillardiine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 3
Topological polar surface area 112.73
Molecular weight 324.96
XLogP -3.23
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2S)-2-amino-3-(5-iodo-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)propanoic acid
Database Links
ChEMBL Ligand CHEMBL121915
DrugBank Ligand DB02818
PubChem CID 447196
RCSB PDB Ligand IWD
Search Google for chemical match using the InChIKey AXXYLTBQIQBTES-BYPYZUCNSA-N
Search Google for chemicals with the same backbone AXXYLTBQIQBTES
Search UniChem for chemical match using the InChIKey AXXYLTBQIQBTES-BYPYZUCNSA-N
Search UniChem for chemicals with the same backbone AXXYLTBQIQBTES
Wikipedia 5-Iodowillardiine