General
Preferred name
ETHION
Synonyms
Diethion ()
P&D ID
PD119052
CAS
563-12-2
Tags
drug candidate
available
Drug Status
investigational
Max Phase
2.0
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
2
ChEMBL Drugs
The Spectrum Collection
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
19
Properties
(calculated by RDKit )
Molecular Weight
383.99
Hydrogen Bond Acceptors
8
Hydrogen Bond Donors
0
Rotatable Bonds
12
Ring Count
0
Aromatic Ring Count
0
cLogP
5.01
TPSA
36.92
Fraction CSP3
1.0
Chiral centers
0.0
Largest ring
0.0
QED
0.34
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
