General
Preferred name
TEREPHTHALIC ACID
Synonyms
para-Phthalic acid ()
1,4-Benzenedioic acid ()
P&D ID
PD099501
CAS
100-21-0
Tags
natural product
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 ]]
Cell lines
0
Organisms
1
Compound Sets
3
EU-OPENSCREEN Bioactive Compound Library
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
28
Properties
(calculated by RDKit )
Molecular Weight
166.03
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
2
Rotatable Bonds
2
Ring Count
1
Aromatic Ring Count
1
cLogP
1.08
TPSA
74.6
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.69
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Metabolic Enzyme/Protease
Target
Endogenous Metabolite
Source data
