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

Compound InformationSONAR Target prediction
Name:

DIOXYBENZONE

Unique Identifier:SPE01500255
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
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
Source:synthetic
Therapeutics:ultraviolet screen

Found: 125 active | as graph: single | with analogs [1] << Back 111 112 113 114 115 116 117 118 119 120  Next >> [125]
Species: 4932
Condition: SWC5
Replicates: 2
Raw OD Value: r im 0.5528±0.0241123
Normalized OD Score: sc h 0.8866±0.0228171
Z-Score: -5.0932±0.598158
p-Value: 0.00000152132
Z-Factor: -0.198901
Fitness Defect: 13.3959
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:18|A3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.00 Celcius
Date:2008-06-19 YYYY-MM-DD
Plate CH Control (+):0.03945±0.00050
Plate DMSO Control (-):0.5899000000000001±0.01491
Plate Z-Factor:0.9166
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: 3
NRB 01079 0.9063
SPE00201081 0.9063
SPE01500451 0.9831

active | Cluster 15651 | Additional Members: 8 | Rows returned: 2
LAT010C02 0.5
LAT015B02 0.416666666666667

Service provided by the Mike Tyers Laboratory