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

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 41 42 43 44 45 46 47 48 49 50  Next >> [173]
Species: 4932
Condition: GBP2
Replicates: 2
Raw OD Value: r im 0.5611±0.0294864
Normalized OD Score: sc h 0.7800±0.0217554
Z-Score: -9.6260±0.74457
p-Value: 4.53688e-20
Z-Factor: 0.406759
Fitness Defect: 44.5395
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:4|G7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.20 Celcius
Date:2008-03-26 YYYY-MM-DD
Plate CH Control (+):0.0403±0.00022
Plate DMSO Control (-):0.68805±0.01529
Plate Z-Factor:0.9090
png
ps
pdf

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

Service provided by the Mike Tyers Laboratory