Ligand Id: 5099
Ligand name 1,5,-IP2

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 12
Hydrogen bond donors 8
Rotatable bonds 4
Topological polar surface area 234.06
Molecular weight 340
XLogP -5.63
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Summary Biological activity References Structure Similar ligands
Classification
Compound class Metabolite or derivative
IUPAC Name
{[(1S,2R,3s,4S,5R,6r)-2,3,4,6-tetrahydroxy-5-(phosphonooxy)cyclohexyl]oxy}phosphonic acid
Database Links
Search on ChemSpider PUVHMWJJTITUGO-KNBDEEDGSA-N
ZINC ZINC12496804

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