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Compound InformationSONAR Target prediction
Name:

2-(phenylthio)ethanethioamide

Unique Identifier:KM 04192
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C8H9NS2
Molecular Weight:174.224 g/mol
X log p:9.926  (online calculus)
Lipinksi Failures1
TPSA57.39
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:1
Rotatable Bond Count:3
Canonical Smiles:NC(=S)CSc1ccccc1

Found: 30 nonactive | as graph: single | with analogs [1] << Back 21 22 23 24 25 26 27 28 29 30 Next >> [30]
Species: 4932
Condition: SMI1
Replicates: 2
Raw OD Value: r im 0.7727±0.00275772
Normalized OD Score: sc h 0.9911±0.00113162
Z-Score: -0.5749±0.102412
p-Value: 0.566372
Z-Factor: -3.22835
Fitness Defect: 0.5685
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Maybridge1000
Plate Number and Position:7|B7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.20 Celcius
Date:2006-05-27 YYYY-MM-DD
Plate CH Control (+):0.039775±0.00167
Plate DMSO Control (-):0.7482±0.00837
Plate Z-Factor:0.9542
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DBLink | Rows returned: 1
2778855 2-phenylsulfanylethanethioamide

internal high similarity DBLink | Rows returned: 0

active | Cluster 10503 | Additional Members: 2 | Rows returned: 0
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