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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: pdr22h
Replicates: 2
Raw OD Value: r im 0.6767±0.0383252
Normalized OD Score: sc h 0.9992±0.0235787
Z-Score: 0.0113±1.06942
p-Value: 0.449562
Z-Factor: -8.68695
Fitness Defect: 0.7995
Bioactivity Statement: Nonactive
Experimental Conditions
Library:LATCA
Plate Number and Position:4|F8
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: 14<< Back 1 2 3 Next >> 
6328166 bismuth; 3,4,5-trihydroxybenzoic acid; hydrate
6328821 (4-carboxy-2-hydroxy-6-oxonio-phenyl)oxidanium; germanium; dihydrate
6334531 5-carboxy-3-hydroxy-benzene-1,2-diolate; germanium; dihydrate
6381803 (4-carboxy-2-hydroxy-6-oxonio-phenyl)oxidanium; germanium; dihydroxide
10091998 bismuth(+3) cation; oxygen(-2) anion; 3,4,5-trihydroxybenzoate
10535192 2,6-dideuterio-3,4,5-trihydroxy-benzoic acid

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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