Home | Screening data | Screen comparisons | Search for compounds | Structure search

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: wt18h
Replicates: 2
Raw OD Value: r im 0.7869±0.0103238
Normalized OD Score: sc h 0.9981±0.0162266
Z-Score: -0.0337±0.490724
p-Value: 0.728744
Z-Factor: -138.036
Fitness Defect: 0.3164
Bioactivity Statement: Nonactive
Experimental Conditions
Library:LATCA
Plate Number and Position:1|D3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.60 Celcius
Date:2007-02-28 YYYY-MM-DD
Plate CH Control (+):0.04045±0.00170
Plate DMSO Control (-):0.805925±0.01622
Plate Z-Factor:0.9334
png
ps
pdf

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

Service provided by the Mike Tyers Laboratory