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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 41 42 43 44 45 46 47 48 49 50  Next >> [125]
Species: 4932
Condition: AAT2
Replicates: 2
Raw OD Value: r im 0.6318±0.00403051
Normalized OD Score: sc h 0.8751±0.000362938
Z-Score: -6.6360±0.126912
p-Value: 0.0000000000382252
Z-Factor: 0.593889
Fitness Defect: 23.9875
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:18|A3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.90 Celcius
Date:2008-04-08 YYYY-MM-DD
Plate CH Control (+):0.03995±0.00106
Plate DMSO Control (-):0.7078500000000001±0.01136
Plate Z-Factor:0.9386
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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

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