General
Preferred name
D-Myo-Inositol-1,4-Bisphosphate
Synonyms
D-myo-Inositol-1,4-diphosphate (sodium salt) ()
P&D ID
PD059841
Tags
drug candidate
natural product
available
Drug Status
experimental
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
18
Properties
(calculated by RDKit )
Molecular Weight
340.0
Hydrogen Bond Acceptors
8
Hydrogen Bond Donors
8
Rotatable Bonds
4
Ring Count
1
Aromatic Ring Count
0
cLogP
-3.6
TPSA
214.44
Fraction CSP3
1.0
Chiral centers
6.0
Largest ring
6.0
QED
0.23
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
