General
Preferred name
Biacetyl
Synonyms
2,3-Butanedione ()
Diacetyl ()
Butane-2,3-Dione ()
BUTANEDIONE ()
P&D ID
PD015232
CAS
151677-70-2
625-34-3
431-03-8
Tags
natural product
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
Reversible myosin ATPase inhibitor
(LOPAC library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
2
EU-OPENSCREEN Bioactive Compound Library
LOPAC library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
42
Molecular Weight
86.04
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
0
Rotatable Bonds
1
Ring Count
0
Aromatic Ring Count
0
cLogP
0.16
TPSA
34.14
Fraction CSP3
0.5
Chiral centers
0.0
Largest ring
0.0
QED
0.43
Structural alerts
1
imine_one_A(321)
[#6]-[#6](=[!#6&!#1;!R])-[#6](=[!#6&!#1;!R])-[$([#6]),$([#16](=[#8])=[#8])]
PAINS Family A
Related compounds
Custom attributes
(extracted from source data)
Selectivity
Myosin ATPase
Source data
