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Compound InformationSONAR Target prediction
Name:

Gallic Acid

Unique Identifier:LAT004F08
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C7H6O5
Molecular Weight:164.072 g/mol
X log p:4.357  (online calculus)
Lipinksi Failures0
TPSA17.07
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:1
Canonical Smiles:OC(=O)c1cc(O)c(O)c(O)c1

Found: 5 nonactive as graph: single | with analogs << Back 1 2 3 4 5 Next >> 
Species: 4932
Condition: wt18h
Replicates: 2
Raw OD Value: r im 0.8070±0.00601041
Normalized OD Score: sc h 1.0126±0.00550167
Z-Score: 0.4072±0.113786
p-Value: 0.684816
Z-Factor: -7.00791
Fitness Defect: 0.3786
Bioactivity Statement: Nonactive
Experimental Conditions
Library:LATCA
Plate Number and Position:4|F8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.80 Celcius
Date:2007-02-28 YYYY-MM-DD
Plate CH Control (+):0.040675±0.00207
Plate DMSO Control (-):0.8063999999999999±0.27232
Plate Z-Factor:-0.0698
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DBLink | Rows returned: 142 3 Next >> 
370 3,4,5-trihydroxybenzoic acid
67314 bismuth(+3) cation; 3,4,5-trihydroxybenzoate; hydroxide; iodide
86954 lithium 3,4,5-trihydroxybenzoate
92702 bismuth(+3) cation; 3,4,5-trihydroxybenzoate
159638 sodium 3,4,5-trihydroxybenzoate
4598586 3,4,5-trihydroxybenzoate

internal high similarity DBLink | Rows returned: 1
SPE00210369 1.0000

active | Cluster 8976 | Additional Members: 4 | Rows returned: 1
SPE00210369 0

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