General
Preferred name
Benzylparaben
Synonyms
P&D ID
PD014644
CAS
94-18-8
Tags
available
drug
Drug Status
approved
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()] ]]
Description
(extracted from source data)
DESCRIPTION
Benzylparaben is a type of parabens being used as a preservative agent in cosmetics, food, and pharmaceutical products. Benzylparaben is used in allergenic testing.
(Enamine Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
5
DrugBank
DrugBank Approved Drugs
Enamine Bioactive Compounds
NCATS Inxight Approved Drugs
NPC Screening Collection
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
25
Molecular Weight
228.08
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
1
Rotatable Bonds
3
Ring Count
2
Aromatic Ring Count
2
cLogP
2.75
TPSA
46.53
Fraction CSP3
0.07
Chiral centers
0.0
Largest ring
6.0
QED
0.82
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
