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Compound InformationSONAR Target prediction
Name:

Butylparaben

Unique Identifier:Prest1201
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C11H14O3
Molecular Weight:180.116 g/mol
X log p:8.369  (online calculus)
Lipinksi Failures1
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:5
Canonical Smiles:CCCCOC(=O)c1ccc(O)cc1

Found: 3 nonactive as graph: single | with analogs 2 3 Next >> 
Species: 9606
Condition: TMPPre001
Replicates: 2
Raw OD Value: r im 1000.0000±0
Normalized OD Score: sc h 0.9503±0
Z-Score: -1.1194±0
p-Value: 0.262978
Z-Factor: -16.0332
Fitness Defect: 1.3357
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Prestwick
Plate Number and Position:12|B5
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:23.30 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):758.5±653.58671
Plate DMSO Control (-):822.5±277.54018
Plate Z-Factor:-66.6597
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DBLink | Rows returned: 4
7184 butyl 4-hydroxybenzoate
37453 sodium 4-butoxycarbonylphenolate
81009 3-methylbutyl 4-hydroxybenzoate
3015995 potassium 4-butoxycarbonylphenolate

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 13501 | Additional Members: 6 | Rows returned: 2
SPE01500767 0
Prest994 0

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