General
Preferred name
PD059589
Synonyms
3-Hydroxybutyryl-Coenzyme A ()
P&D ID
PD059589
CAS
2871-66-1
Tags
drug candidate
natural product
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
1
DrugBank
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
16
Properties
(calculated by RDKit )
Molecular Weight
853.15
Hydrogen Bond Acceptors
20
Hydrogen Bond Donors
10
Rotatable Bonds
21
Ring Count
3
Aromatic Ring Count
2
cLogP
-1.56
TPSA
383.86
Fraction CSP3
0.68
Chiral centers
8.0
Largest ring
6.0
QED
0.05
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
