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 461 462 463 464 465 466 467 468 469 470  Next >> [591]
Species: 4932
Condition: PPH21
Replicates: 2
Raw OD Value: r im 0.6941±0.0340825
Normalized OD Score: sc h 0.9424±0.00607176
Z-Score: -2.0676±0.189828
p-Value: 0.0404344
Z-Factor: -0.813149
Fitness Defect: 3.2081
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:6|B9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.70 Celcius
Date:2006-05-16 YYYY-MM-DD
Plate CH Control (+):0.039650000000000005±0.00754
Plate DMSO Control (-):0.765375±0.01925
Plate Z-Factor:0.8891
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