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

Compound InformationSONAR Target prediction
Name:

Dioxybenzone

Unique Identifier:Prest1213
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C14H12O4
Molecular Weight:232.147 g/mol
X log p:15.527  (online calculus)
Lipinksi Failures1
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:3
Canonical Smiles:COc1ccc(c(O)c1)C(=O)c1ccccc1O

Found: 3 nonactive as graph: single | with analogs << Back 1 2 3
Species: 9606
Condition: TMPPre003
Replicates: 2
Raw OD Value: r im 11181.0000±0
Normalized OD Score: sc h 0.9346±0
Z-Score: -1.8199±0
p-Value: 0.0687802
Z-Factor: -3.95584
Fitness Defect: 2.6768
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Prestwick
Plate Number and Position:12|B9
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:23.30 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):22056±7270.79638
Plate DMSO Control (-):12341.5±7132.64330
Plate Z-Factor:-6.0351
png
ps
pdf

DBLink | Rows returned: 3
8569 (2-hydroxy-4-methoxy-phenyl)-(2-hydroxyphenyl)methanone
8570 bis(2-hydroxy-4-methoxy-phenyl)methanone
81876 (2,4-dihydroxyphenyl)-(2-hydroxy-4-methoxy-phenyl)methanone

internal high similarity DBLink | Rows returned: 0

active | Cluster 15651 | Additional Members: 8 | Rows returned: 3
SPE01500255 0.555555555555556
LAT010C02 0.5
LAT015B02 0.416666666666667

Service provided by the Mike Tyers Laboratory