General
Preferred name
PD020997
Synonyms
12(S)-HEPE ()
P&D ID
PD020997
CAS
116180-17-7
Tags
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 ]]
Compound Sets
1
Cayman Chemical Bioactives
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
12
Properties
(calculated by RDKit )
Molecular Weight
318.22
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
2
Rotatable Bonds
13
Ring Count
0
Aromatic Ring Count
0
cLogP
4.96
TPSA
57.53
Fraction CSP3
0.45
Chiral centers
1.0
Largest ring
0.0
QED
0.29
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
