General
Preferred name
gamma-butyrolactone
Synonyms
BUTYROLACTONE 99+% (4-HYDROXYBUTYRIC ACID LACTONE) ()
γ-butyrolactone ()
Gama-Butyrolactone ()
BUTYROLACTONE ()
.gamma.-Butyrolactone ()
?-Butyrolactone-d6 ()
P&D ID
PD005892
CAS
96-48-0
187997-16-6
77568-65-1
Tags
drug candidate
natural product
available
Drug indication
Discovery agent
Drug Status
experimental
illicit
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
41
Properties
(calculated by RDKit )
Molecular Weight
86.04
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
0
Rotatable Bonds
0
Ring Count
1
Aromatic Ring Count
0
cLogP
0.32
TPSA
26.3
Fraction CSP3
0.75
Chiral centers
0.0
Largest ring
5.0
QED
0.4
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
