|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C2H6OS/c3-1-2-4/h3-4H,1-2H2
|
|
chemicalCompound:standardIn... |
DGVVWUTYPXICAM-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
OCCS
|
|
chemicalCompound:molecularF... |
C2H6OS
|
|
chemicalCompound:moleculeId |
424815
|
|
chemicalCompound:mwFreebase |
78.1334
|
|
chemicalCompound:alogp |
0.073
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
59.03
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdMostApk... |
9.643
|
|
chemicalCompound:acdLogP |
-0.23
|
|
chemicalCompound:acdLogD |
-0.232
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
78.1334
|
|
chemicalCompound:chemblId |
CHEMBL254951
|
|
chemicalCompound:maxPhase |
0
|
|
chemicalCompound:therapeuti... |
0
|
|
chemicalCompound:dosedIngre... |
No
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
No
|
|
chemicalCompound:parenteral |
No
|
|
chemicalCompound:topical |
No
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
2-MERCAPTOETHANOL
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:2081498,
activity:2081500,
activity:2081529,
activity:2081530,
activity:2081531,
activity:2081532,
activity:2081533,
activity:2081534,
activity:2081535,
activity:2081536,
activity:2081537,
activity:2081538,
activity:2081539,
activity:2081540,
activity:2081541,
activity:2081542,
activity:2081543,
activity:2081544,
activity:7984145
|
