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Compound InformationSONAR Target prediction
Name:

Berberine Sulfate

Unique Identifier:LAT004G09
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C20H20NO8S
Molecular Weight:414.282 g/mol
X log p:15.053  (online calculus)
Lipinksi Failures1
TPSA39.93
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:2
Canonical Smiles:COc1ccc2cc3c4cc5OCOc5cc4CC[n+]3cc2c1OC.OS(O)(=O)=O

Found: 2 active | as graph: single | with analogs 1 2 Next >> 
Species: 4932
Condition: pdr18h
Replicates: 2
Raw OD Value: r im 0.4673±0.047164
Normalized OD Score: sc h 0.7418±0.0630916
Z-Score: -7.0950±1.23976
p-Value: 0.000000000251268
Z-Factor: -7.2796
Fitness Defect: 22.1045
Bioactivity Statement: Active
Experimental Conditions
Library:LATCA
Plate Number and Position:4|G9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.20 Celcius
Date:2007-03-08 YYYY-MM-DD
Plate CH Control (+):0.040825±0.00277
Plate DMSO Control (-):0.640525±0.21231
Plate Z-Factor:-0.0729
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DBLink | Rows returned: 5
9424
12457
407430
5351462
11954335

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 10382 | Additional Members: 9 | Rows returned: 5
SPE01500872 0.328358208955224
SPE00300517 0.328358208955224
Prest374 0.328358208955224
LAT002A08 0
SPE01500811 0

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