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 561 562 563 564 565 566 567 568 569 570  Next >> [591]
Species: 4932
Condition: RSA3
Replicates: 2
Raw OD Value: r im 0.7050±0.021496
Normalized OD Score: sc h 0.9917±0.0231094
Z-Score: -0.3592±0.99222
p-Value: 0.510418
Z-Factor: -12.4225
Fitness Defect: 0.6725
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:22|D6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.10 Celcius
Date:2008-04-01 YYYY-MM-DD
Plate CH Control (+):0.041800000000000004±0.00296
Plate DMSO Control (-):0.708825±0.01470
Plate Z-Factor:0.9405
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