General
Preferred name
Cresoquinone
Synonyms
2-Methyl-[1,4]Benzoquinone ()
P&D ID
PD138966
CAS
553-97-9
Tags
available
covalent binder
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 ]]
Cell lines
3
Organisms
0
Compound Sets
1
CovalentInDB
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
33
Properties
(calculated by RDKit )
Molecular Weight
122.04
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
0
Rotatable Bonds
0
Ring Count
1
Aromatic Ring Count
0
cLogP
0.64
TPSA
34.14
Fraction CSP3
0.14
Chiral centers
0.0
Largest ring
6.0
QED
0.44
Structural alerts
1
quinone_A(370)
[!#6&!#1]=[#6]-1-[#6]=,:[#6]-[#6](=[!#6&!#1])-[#6]=,:[#6]-1
PAINS Family A
Related compounds
Custom attributes
(extracted from source data)
Source data
