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

Compound InformationSONAR Target prediction
Name:

ISOPEONOL

Unique Identifier:SPE01400156
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:156.094 g/mol
X log p:6.346  (online calculus)
Lipinksi Failures1
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:2
Canonical Smiles:COc1cc(O)ccc1C(C)=O
Class:aromatic
Source:Paeonia spp

Found: 205 nonactive as graph: single | with analogs [1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [205]
Species: 4932
Condition: CIN2
Replicates: 2
Raw OD Value: r im 0.7841±0.00268701
Normalized OD Score: sc h 0.9898±0.000615352
Z-Score: -0.5762±0.0443947
p-Value: 0.56465
Z-Factor: -2.71245
Fitness Defect: 0.5715
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:7|A11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.70 Celcius
Date:2006-02-14 YYYY-MM-DD
Plate CH Control (+):0.038625±0.00201
Plate DMSO Control (-):0.777425±0.01074
Plate Z-Factor:0.9523
png
ps
pdf

DBLink | Rows returned: 1
529402 1-(4-hydroxy-2-methoxy-phenyl)ethanone

internal high similarity DBLink | Rows returned: 1
SPE00200441 0.9434

active | Cluster 16548 | Additional Members: 1 | Rows returned: 0
Service provided by the Mike Tyers Laboratory