General
Preferred name
ETHYL FUMARATE
Synonyms
Calcium monoethylfumarate ()
Magnesium monoethylfumarate ()
Zinc monoethylfumarate ()
P&D ID
PD143881
CAS
3990-03-2
83918-60-9
Tags
available
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 ]]
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
42
Properties
(calculated by RDKit )
Molecular Weight
144.04
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
1
Rotatable Bonds
3
Ring Count
0
Aromatic Ring Count
0
cLogP
0.19
TPSA
63.6
Fraction CSP3
0.33
Chiral centers
0.0
Largest ring
0.0
QED
0.45
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
