General
Preferred name
Thioctic acid tromethamine
Synonyms
P&D ID
PD077557
Tags
available
drug candidate
Drug Status
investigational
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
DrugBank
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
9
Properties
(calculated by RDKit )
Molecular Weight
327.12
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
5
Rotatable Bonds
8
Ring Count
1
Aromatic Ring Count
0
cLogP
0.45
TPSA
124.01
Fraction CSP3
0.92
Chiral centers
1.0
Largest ring
5.0
QED
0.32
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
