General
Preferred name
PD048941
Synonyms
3-bromopyruvate ()
P&D ID
PD048941
CAS
206860-50-6
68-38-2
Tags
drug candidate
Drug indication
Discovery agent
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
6
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
9
Properties
(calculated by RDKit )
Molecular Weight
164.92
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
0
Rotatable Bonds
2
Ring Count
0
Aromatic Ring Count
0
cLogP
-1.3
TPSA
57.2
Fraction CSP3
0.33
Chiral centers
0.0
Largest ring
0.0
QED
0.38
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
