General
Preferred name
Dephospho Coenzyme A
Synonyms
Dephospho CoA ()
3'-Dephosphocoenzyme A ()
P&D ID
PD059971
CAS
3633-59-8
Tags
drug candidate
natural product
available
Drug indication
Discovery agent
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
4
BOC Sciences Bioactive Compounds
Cayman Chemical Bioactives
DrugBank
DrugMAP
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
20
Properties
(calculated by RDKit )
Molecular Weight
687.15
Hydrogen Bond Acceptors
17
Hydrogen Bond Donors
9
Rotatable Bonds
16
Ring Count
3
Aromatic Ring Count
2
cLogP
-1.78
TPSA
300.03
Fraction CSP3
0.67
Chiral centers
7.0
Largest ring
6.0
QED
0.07
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
