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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: WHI5
Replicates: 2
Raw OD Value: r im 0.4803±0.000282843
Normalized OD Score: sc h 0.7169±0.00862402
Z-Score: -10.4636±0.151639
p-Value: 2.16108e-25
Z-Factor: 0.523135
Fitness Defect: 56.794
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:22|D5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.10 Celcius
Date:2008-09-16 YYYY-MM-DD
Plate CH Control (+):0.0417±0.00075
Plate DMSO Control (-):0.6671750000000001±0.02316
Plate Z-Factor:0.8885
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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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