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Compound InformationSONAR Target prediction
Name:

DIHYDRO-beta-TUBAIC ACID

Unique Identifier:SPE00211531
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C13H16O4
Molecular Weight:220.137 g/mol
X log p:3.884  (online calculus)
Lipinksi Failures0
TPSA35.53
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:2
Canonical Smiles:COc1c2CCC(C)(C)Oc2ccc1C(O)=O
Source:derivative ex mundulone

Found: 509 nonactive | as graph: single | with analogs [1] << Back 501 502 503 504 505 506 507 508 509 Next >> [509]
Species: 4932
Condition: UBP8
Replicates: 2
Raw OD Value: r im 0.6741±0.0115966
Normalized OD Score: sc h 1.0029±0.022584
Z-Score: 0.1183±0.93064
p-Value: 0.51345
Z-Factor: -11.7223
Fitness Defect: 0.6666
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:4|F8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.60 Celcius
Date:2007-10-17 YYYY-MM-DD
Plate CH Control (+):0.040125±0.00046
Plate DMSO Control (-):0.648075±0.09306
Plate Z-Factor:0.5150
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DBLink | Rows returned: 1
3548249 5-methoxy-2,2-dimethyl-chroman-6-carboxylic acid

internal high similarity DBLink | Rows returned: 0

active | Cluster 8617 | Additional Members: 1 | Rows returned: 0

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