LIPOIC ACID, ALPHA

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Synonyms
Status
Molecule Category Free-form
UNII 73Y7P0K73Y
EPA CompTox DTXSID7025508

Structure

InChI Key AGBQKNBQESQNJD-UHFFFAOYSA-N
Smiles O=C(O)CCCCC1CCSS1
InChI
InChI=1S/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H14O2S2
Molecular Weight 206.33
AlogP 2.79
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 37.3
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 12.0

Pharmacology

EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Candida albicans
- - - - 80

Cross References

Resources Reference
ChEBI 16494
ChEMBL CHEMBL33864
DrugCentral 4732
FDA SRS 73Y7P0K73Y
KEGG C00725
SureChEMBL SCHEMBL51065
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