General
Preferred name
ISOBUTYRIC ACID
Synonyms
2-Methylpropionic acid ()
P&D ID
PD007891
CAS
79-31-2
Tags
available
drug candidate
Drug indication
Discovery agent
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
40
Properties
(calculated by RDKit )
Molecular Weight
88.05
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
1
Rotatable Bonds
1
Ring Count
0
Aromatic Ring Count
0
cLogP
0.73
TPSA
37.3
Fraction CSP3
0.75
Chiral centers
0.0
Largest ring
0.0
QED
0.51
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Metabolic Enzyme/Protease
MOA
Endogenous Metabolite
Target
Human Endogenous Metabolite
Source data
