General
Preferred name
PD021140
Synonyms
8-iso Prostaglandin E2 ()
8-iso Prostaglandin E2-d4 ()
P&D ID
PD021140
CAS
27415-25-4
Tags
natural product
available
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
22
Properties
(calculated by RDKit )
Molecular Weight
352.22
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
3
Rotatable Bonds
12
Ring Count
1
Aromatic Ring Count
0
cLogP
3.25
TPSA
94.83
Fraction CSP3
0.7
Chiral centers
4.0
Largest ring
5.0
QED
0.37
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
