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

Compound InformationSONAR Target prediction
Name:

THIAMINE

Unique Identifier:SPE01505464
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C12Cl2H19N4OS
Molecular Weight:319.126 g/mol
X log p:  (online calculus)
Lipinksi Failures
TPSA
Hydrogen Bond Donor Count:
Hydrogen Bond Acceptors Count:
Rotatable Bond Count:
Canonical Smiles:[ClH-].Cl.Cc1nc(N)cc(C[n+]2csc(CCO)c2C)n1
Class:alkaloid
Source:rice husks, wheat germ, yeast
Therapeutics:vitamin B1, enzyme cofactor

Found: 104 nonactive as graph: single | with analogs [1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [104]
Species: 4932
Condition: AAT2
Replicates: 2
Raw OD Value: r im 0.7114±0.00558614
Normalized OD Score: sc h 0.9862±0.00462574
Z-Score: -0.7302±0.229332
p-Value: 0.47112
Z-Factor: -5.93036
Fitness Defect: 0.7526
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:21|A4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.10 Celcius
Date:2008-04-08 YYYY-MM-DD
Plate CH Control (+):0.040575±0.00050
Plate DMSO Control (-):0.70415±0.01346
Plate Z-Factor:0.9448
png
ps
pdf

DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 8035 | Additional Members: 3 | Rows returned: 0
Service provided by the Mike Tyers Laboratory