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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: 461 nonactive | as graph: single | with analogs [1] << Back 21 22 23 24 25 26 27 28 29 30  Next >> [461]
Species: 4932
Condition: SPE01502202
Replicates: 2
Raw OD Value: r im 0.7719±0
Normalized OD Score: sc h 0.9978±0
Z-Score: -0.0892±0
p-Value: 0.92889
Z-Factor: -11.9126
Fitness Defect: 0.0738
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:2|A4
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:0.00 Celcius
Date:2006-08-13 YYYY-MM-DD
Plate CH Control (+):0.04025±0.00080
Plate DMSO Control (-):0.7569±0.01493
Plate Z-Factor:0.9343
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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

active | Cluster 9214 | Additional Members: 5 | Rows returned: 1
Prest1270 0.42

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