(S)-5-fluorowillardiine

Ligand id: 4070

Name: (S)-5-fluorowillardiine

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 217.05
XLogP -3.9
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2S)-2-amino-3-(5-fluoro-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)propanoic acid
Database Links
CAS Registry No. 140187-23-1 (source: Scifinder)
ChEBI CHEBI:42549
ChEMBL Ligand CHEMBL123132
DrugBank Ligand DB02966
PubChem CID 126569
RCSB PDB Ligand FWD
Search Google for chemical match using the InChIKey DBWPFHJYSTVBCZ-BYPYZUCNSA-N
Search Google for chemicals with the same backbone DBWPFHJYSTVBCZ
Search UniChem for chemical match using the InChIKey DBWPFHJYSTVBCZ-BYPYZUCNSA-N
Search UniChem for chemicals with the same backbone DBWPFHJYSTVBCZ