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

Compound InformationSONAR Target prediction
Name:

ROBUSTIC ACID

Unique Identifier:SPE00240673
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:360.232 g/mol
X log p:15.101  (online calculus)
Lipinksi Failures1
TPSA53.99
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:6
Rotatable Bond Count:3
Canonical Smiles:COc1ccc(cc1)C1C(=O)Oc2cc3OC(C)(C)C=Cc3c(OC)c2C=1O
Class:coumarin
Source:Derris robusta
Reference:J Chem Soc 1969:365

Found: 193 nonactive | as graph: single | with analogs [1] << Back 51 52 53 54 55 56 57 58 59 60  Next >> [193]
Species: 4932
Condition: POL32
Replicates: 2
Raw OD Value: r im 0.6246±0.0627911
Normalized OD Score: sc h 0.9865±0.00201068
Z-Score: -0.3771±0.0561785
p-Value: 0.706298
Z-Factor: -5.59252
Fitness Defect: 0.3477
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:4|H3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.30 Celcius
Date:2006-02-16 YYYY-MM-DD
Plate CH Control (+):0.039±0.00394
Plate DMSO Control (-):0.6386000000000001±0.01896
Plate Z-Factor:0.8854
png
ps
pdf

DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 1
SPE00240660 0.9040

active | Cluster 12397 | Additional Members: 2 | Rows returned: 1
SPE00240660 0

Service provided by the Mike Tyers Laboratory