General
Preferred name
Isopropyl beta-D-thiogalactopyranoside
Synonyms
Isopropyl ¦Â-D-thiogalactoside ()
Isopropyl ??-D-thiogalactoside ()
IPTG ()
Isopropyl ??D-thiogalactoside ()
Isopropyl ??D-thiogalactoside, Isopropyl thiogalactoside, Isopropyl ??D-1-thiogalactopyranoside, la ()
Isopropyl ??-D-thiogalactoside, Isopropyl thiogalactoside, Isopropyl ??-D-1-thiogalactopyranoside, lad-y ()
IPTG (dioxane free) ()
P&D ID
PD012500
CAS
367-93-1
30323-26-3
Tags
available
nuisance
drug candidate
Drug Status
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()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
5
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
45
Properties
(calculated by RDKit )
Molecular Weight
238.09
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
4
Rotatable Bonds
3
Ring Count
1
Aromatic Ring Count
0
cLogP
-1.07
TPSA
90.15
Fraction CSP3
1.0
Chiral centers
5.0
Largest ring
6.0
QED
0.5
Structural alerts
1
Beta galactosidase inhibition
Nuisance compounds
Related compounds
Custom attributes
(extracted from source data)
Pathway
DNA Damage/DNA Repair
MOA
DNA/RNA Synthesis
Source data
