General
Preferred name
INOSITOL
Synonyms
Myo-Inositol ()
P&D ID
PD055283
CAS
173524-45-3
488-55-1
6917-35-7
551-72-4
87-89-8
38876-99-2
53319-35-0
643-12-9
Tags
drug candidate
natural product
available
Drug indication
Alzheimer disease
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 ]]
Compound Sets
3
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
22
Properties
(calculated by RDKit )
Molecular Weight
180.06
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
6
Rotatable Bonds
0
Ring Count
1
Aromatic Ring Count
0
cLogP
-3.83
TPSA
121.38
Fraction CSP3
1.0
Chiral centers
0.0
Largest ring
6.0
QED
0.23
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
