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

Compound InformationSONAR Target prediction
Name:

BRAZILEIN

Unique Identifier:SPE00200463
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:272.168 g/mol
X log p:9.862  (online calculus)
Lipinksi Failures1
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:0
Canonical Smiles:Oc1ccc2c(OCC3(O)Cc4cc(=O)c(O)cc4=C23)c1
Class:quinone methide
Source:Caesalpinia spp
Reference:Phytochemistry 46: 177 (1997)

Found: 205 nonactive as graph: single | with analogs [1] << Back 21 22 23 24 25 26 27 28 29 30  Next >> [205]
Species: 4932
Condition: DBP3
Replicates: 2
Raw OD Value: r im 0.6659±0.00205061
Normalized OD Score: sc h 0.9672±0.00226193
Z-Score: -1.7001±0.0541857
p-Value: 0.089354
Z-Factor: -2.52636
Fitness Defect: 2.4151
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:3|G4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.70 Celcius
Date:2007-09-13 YYYY-MM-DD
Plate CH Control (+):0.03975±0.00036
Plate DMSO Control (-):0.6728000000000001±0.02674
Plate Z-Factor:0.8648
png
ps
pdf

DBLink | Rows returned: 1
6453902

internal high similarity DBLink | Rows returned: 0

active | Cluster 968 | Additional Members: 2 | Rows returned: 1
SPE01502253 0

Service provided by the Mike Tyers Laboratory