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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: 3 nonactive | as graph: single | with analogs 1 2 3 Next >> 
Species: 4932
Condition: pdr22h
Replicates: 2
Raw OD Value: r im 0.6163±0.0100409
Normalized OD Score: sc h 0.9081±0.0117123
Z-Score: -3.5071±0.0825603
p-Value: 0.000463282
Z-Factor: -51.9126
Fitness Defect: 7.6772
Bioactivity Statement: Nonactive
Experimental Conditions
Library:LATCA
Plate Number and Position:4|G9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.90 Celcius
Date:2007-03-08 YYYY-MM-DD
Plate CH Control (+):0.040624999999999994±0.00252
Plate DMSO Control (-):0.663875±0.22164
Plate Z-Factor:-0.0763
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DBLink | Rows returned: 5
9424
12457
407430
5351462
11954335

internal high similarity DBLink | Rows returned: 0

active | Cluster 10382 | Additional Members: 9 | Rows returned: 4
Prest374 0.328358208955224
Prest91 0
LAT002A08 0
SPE01500811 0

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