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Compound InformationSONAR Target prediction
Name:

OXYBENZONE

Unique Identifier:SPE01500451
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:216.148 g/mol
X log p:17.116  (online calculus)
Lipinksi Failures1
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:3
Canonical Smiles:COc1ccc(c(O)c1)C(=O)c1ccccc1
Source:synthetic
Therapeutics:ultraviolet screen

Found: 173 active | as graph: single | with analogs [1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [173]
Species: 4932
Condition: CLN2
Replicates: 2
Raw OD Value: r im 0.5880±0.0148492
Normalized OD Score: sc h 0.8641±0.00676747
Z-Score: -4.0525±0.508872
p-Value: 0.000116076
Z-Factor: -0.00398441
Fitness Defect: 9.0613
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:4|C5
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2010-08-10 YYYY-MM-DD
Plate CH Control (+):0.08549999999999999±0.01334
Plate DMSO Control (-):0.8767499999999999±0.04357
Plate Z-Factor:0.7852
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DBLink | Rows returned: 4
4632 (2-hydroxy-4-methoxy-phenyl)-phenyl-methanone
10175 (2,6-dihydroxy-4-methoxy-phenyl)-phenyl-methanone
96154 (2-hydroxy-4-methoxy-phenyl)-(4-methoxyphenyl)methanone
282356 (2-hydroxy-4-methoxy-phenyl)-(4-hydroxyphenyl)methanone

internal high similarity DBLink | Rows returned: 3
NRB 01079 0.9206
SPE00201081 0.9206
SPE01500255 0.9831

nonactive | Cluster 9214 | Additional Members: 5 | Rows returned: 2
Prest1270 0.42
LAT015G04 0

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