General
Preferred name
acetyl CoA
Synonyms
[14C]acetylCoA ()
[14C]acetylCoA ()
Acetyl-Coenzyme A (sodium salt) ()
Acetyl-Coenzyme A-d3 (sodium salt) ()
P&D ID
PD046466
CAS
72-89-9
102029-73-2
Tags
available
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
8
Other bioactive compounds
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
48
Properties
(calculated by RDKit )
Molecular Weight
809.13
Hydrogen Bond Acceptors
19
Hydrogen Bond Donors
9
Rotatable Bonds
19
Ring Count
3
Aromatic Ring Count
2
cLogP
-1.32
TPSA
363.63
Fraction CSP3
0.65
Chiral centers
7.0
Largest ring
6.0
QED
0.06
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
