General
Preferred name
PD099465
Synonyms
2-Phenylpropionic acid ()
2-Phenylpropionate, Hydratropic acid, ??-methyl-??-toluic acid ()
P&D ID
PD099465
CAS
492-37-5
7782-24-3
Tags
available
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
2
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
29
Properties
(calculated by RDKit )
Molecular Weight
150.07
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
1
Rotatable Bonds
2
Ring Count
1
Aromatic Ring Count
1
cLogP
1.87
TPSA
37.3
Fraction CSP3
0.22
Chiral centers
1.0
Largest ring
6.0
QED
0.7
QED
0.7
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Metabolic Enzyme/Protease
Target
Endogenous Metabolite
Source data
