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Compound InformationSONAR Target prediction
Name:

ELLAGIC ACID

Unique Identifier:SPE01502245
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:296.145 g/mol
X log p:5.24  (online calculus)
Lipinksi Failures1
TPSA52.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:8
Rotatable Bond Count:0
Canonical Smiles:Oc1cc2C(=O)Oc3c(O)c(O)cc4C(=O)Oc(c1O)c2c34
Class:aromatic
Source:widely distributed in higher plants
Therapeutics:hemostatic, antineoplastic, antimutagenic

Found: 170 active | as graph: single | with analogs [1] << Back 161 162 163 164 165 166 167 168 169 170 Next >> [170]
Species: 4932
Condition: SWR1
Replicates: 2
Raw OD Value: r im 0.3767±0.0162635
Normalized OD Score: sc h 0.5740±0.0226984
Z-Score: -17.4628±0.807673
p-Value: 0
Z-Factor: 0.471085
Fitness Defect: INF
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:22|D5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.40 Celcius
Date:2008-01-31 YYYY-MM-DD
Plate CH Control (+):0.04195±0.00044
Plate DMSO Control (-):0.616725±0.03279
Plate Z-Factor:0.8135
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DBLink | Rows returned: 1
5281855

internal high similarity DBLink | Rows returned: 0

active | Cluster 1228 | Additional Members: 2 | Rows returned: 0
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