General
Preferred name
para-Hydroxybenzoic acid
Synonyms
P-Hydroxybenzoic Acid ()
PHBA ()
4-hydroxybenzoate ()
4-Hydroxybenzoic acid ()
4-Hydroxybenzoicacid ()
p-hydroxybenzoic acid, PHBA, para-Hydroxybenzoic acid, 4-hydroxybenzoate ()
PARABEN ()
P&D ID
PD006469
CAS
99-96-7
Tags
natural product
drug candidate
available
Drug Status
experimental
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Cell lines
3
Organisms
1
Compound Sets
7
Cayman Chemical Bioactives
27468
DrugBank
DB04242
DrugMAP
DM3WQNY
MedChem Express Bioactive Compound Library
HY-Y0264
Selleckchem Bioactive Compound Library
4-hydroxybenzoic-acid
TargetMol Bioactive Compound Library
T2989
The Spectrum Collection
External IDs
37
Properties
(calculated by RDKit )
Molecular Weight
138.03
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
2
Rotatable Bonds
1
Ring Count
1
Aromatic Ring Count
1
cLogP
1.09
TPSA
57.53
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.61
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Pathway
Microbiology&virology
Anti-infection
Metabolic Enzyme/Protease
Target
Antibacterial
Bacterial
Endogenous Metabolite
Source data