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

Compound InformationSONAR Target prediction
Name:

HEMATEIN

Unique Identifier:SPE01502253
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:288.168 g/mol
X log p:8.273  (online calculus)
Lipinksi Failures1
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:6
Rotatable Bond Count:0
Canonical Smiles:Oc1ccc2c(OCC3(O)Cc4cc(=O)c(O)cc4=C23)c1O
Class:benzopyran
Source:logwood, Haematoxylon spp.
Reference:J Chem Soc 93: 115 (1908)

Found: 591 nonactive | as graph: single | with analogs [1] << Back 161 162 163 164 165 166 167 168 169 170  Next >> [591]
Species: 4932
Condition: SPE01500255
Replicates: 2
Raw OD Value: r im 0.6025±0.00431335
Normalized OD Score: sc h 0.9935±0.00941187
Z-Score: -0.2925±0.424457
p-Value: 0.773666
Z-Factor: -6.03754
Fitness Defect: 0.2566
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:2|E7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.10 Celcius
Date:2006-12-22 YYYY-MM-DD
Plate CH Control (+):0.039474999999999996±0.00202
Plate DMSO Control (-):0.6219250000000001±0.03031
Plate Z-Factor:0.8217
png
ps
pdf

DBLink | Rows returned: 1
10138

internal high similarity DBLink | Rows returned: 0

active | Cluster 968 | Additional Members: 2 | Rows returned: 0
Service provided by the Mike Tyers Laboratory