General
Preferred name
Bisphenol B
Synonyms
P&D ID
PD158801
CAS
77-40-7
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()] ]]
Description
(extracted from source data)
DESCRIPTION
Bisphenol B is a very close structural analog of Bisphenol A (HY-18260), an endocrine disrupting chemical (EDC) and a substance of very high concern (SVHC) in the European Union (EU) for both human health. Bisphenol B shows endocrine disruptive properties or other adverse effects on animal models[1].
PRICE
29
DESCRIPTION
Bisphenol B has a binding affinity for estrogen receptors.
(TargetMol Bioactive Compound Library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
2
MedChem Express Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
21
Molecular Weight
242.13
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
2
Rotatable Bonds
3
Ring Count
2
Aromatic Ring Count
2
cLogP
3.81
TPSA
40.46
Fraction CSP3
0.25
Chiral centers
0.0
Largest ring
6.0
QED
0.86
QED
0.86
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
estrogen receptor
Endogenous Metabolite
Estrogen Receptor/ERR
Reactive Oxygen Species (ROS)
Pathway
Immunology/Inflammation
Metabolic Enzyme/Protease
NF-κB
Vitamin D Related/Nuclear Receptor
Endocrinology/Hormones
Source data
