Ligand Id: 1725
Ligand name PPADS

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 15
Hydrogen bond donors 5
Rotatable bonds 8
Topological polar surface area 272.96
Molecular weight 510.98
XLogP -1.86
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Summary Biological activity References Structure Similar ligands
Classification
Compound class Synthetic organic
IUPAC Name
4-[2-[4-formyl-6-methyl-5-oxo-3-(phosphonooxymethyl)pyridin-2-ylidene]hydrazinyl]benzene-1,3-disulfonic acid
Synonyms
pyridoxal phosphate-6-azophenyl-2',4'-disulfonic acid
Database Links
BindingDB Ligand 50064802
PubChem CID 5478935
Search on ChemSpider DNHPNPMMYMXEBP-VKAVYKQESA-N
ZINC ZINC18247107
iPHACE 0LGLJHW5

Please note: some links may refer to related isomers. For more details please contact: curators@iuphar-db.org