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Compound InformationSONAR Target prediction
Name:

Acacetin

Unique Identifier:Prest49
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C16H12O5
Molecular Weight:272.168 g/mol
X log p:15.05  (online calculus)
Lipinksi Failures1
TPSA35.53
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:2
Canonical Smiles:COc1ccc(cc1)C1Oc2cc(O)cc(O)c2C(=O)C=1

Found: 3 nonactive as graph: single | with analogs 2 3 Next >> 
Species: 9606
Condition: TMPPre001
Replicates: 2
Raw OD Value: r im 1970.0000±0
Normalized OD Score: sc h 1.0036±0
Z-Score: 0.0817±0
p-Value: 0.934916
Z-Factor: -8.49983
Fitness Defect: 0.0673
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Prestwick
Plate Number and Position:9|F6
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:24.30 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):934.5±887.42587
Plate DMSO Control (-):1947.5±635.64730
Plate Z-Factor:-4.7271
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DBLink | Rows returned: 1
5280442 5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 1884 | Additional Members: 20 | Rows returned: 122 Next >> 
SPE01500717 0.452830188679245
SPE01500724 0.345454545454545
SPE01504115 0.294117647058823
SPE00200499 0.24
Prest1131 0.191489361702128
SPE01505144 0.191489361702128

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