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Compound InformationSONAR Target prediction
Name:

Orsellinic Acid, Ethyl Ester

Unique Identifier:LAT001D03
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C10H12O4
Molecular Weight:184.105 g/mol
X log p:4.757  (online calculus)
Lipinksi Failures0
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:3
Canonical Smiles:CCOC(=O)c1c(C)cc(O)cc1O

Found: 5 nonactive as graph: single | with analogs << Back 1 2 3 4 5 Next >> 
Species: 4932
Condition: pdr22h
Replicates: 2
Raw OD Value: r im 0.7013±0.0234052
Normalized OD Score: sc h 1.0260±0.0301059
Z-Score: 1.1885±1.16999
p-Value: 0.380866
Z-Factor: -6.62866
Fitness Defect: 0.9653
Bioactivity Statement: Nonactive
Experimental Conditions
Library:LATCA
Plate Number and Position:1|D3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.90 Celcius
Date:2007-03-08 YYYY-MM-DD
Plate CH Control (+):0.039875±0.00191
Plate DMSO Control (-):0.69555±0.23190
Plate Z-Factor:-0.0688
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DBLink | Rows returned: 1
75653 ethyl 2,4-dihydroxy-6-methyl-benzoate

internal high similarity DBLink | Rows returned: 1
SPE00200002 1.0000

active | Cluster 13178 | Additional Members: 8 | Rows returned: 3
SPE00210072 0.478260869565217
SPE00200061 0.471698113207547
SPE00200002 0

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