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

Compound InformationSONAR Target prediction
Name:

MAACKIAIN

Unique Identifier:SPE00201654
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C16H12O5
Molecular Weight:272.168 g/mol
X log p:12.175  (online calculus)
Lipinksi Failures1
TPSA36.92
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:0
Canonical Smiles:Oc1ccc2C3Oc4cc5OCOc5cc4C3COc2c1
Source:ex Maackia spp
Reference:Experientia 18: 161 (1962)

Found: 97 nonactive | as graph: single | with analogs [1] << Back 71 72 73 74 75 76 77 78 79 80  Next >> [97]
Species: 4932
Condition: RNR3
Replicates: 2
Raw OD Value: r im 0.7657±0.011738
Normalized OD Score: sc h 0.9994±0.0035126
Z-Score: -0.0230±0.106664
p-Value: 0.939894
Z-Factor: -329.015
Fitness Defect: 0.062
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:4|A9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.50 Celcius
Date:2006-04-26 YYYY-MM-DD
Plate CH Control (+):0.038724999999999996±0.00103
Plate DMSO Control (-):0.768625±0.01487
Plate Z-Factor:0.9507
png
ps
pdf

DBLink | Rows returned: 71 2 Next >> 
91510
161298
363863
373519
454895
1715306

internal high similarity DBLink | Rows returned: 1
SPE01401019 0.9691

active | Cluster 10591 | Additional Members: 3 | Rows returned: 2
SPE00100743 0.567164179104478
SPE01401019 0.393939393939394

Service provided by the Mike Tyers Laboratory