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Compound InformationSONAR Target prediction
Name:

ADONITOL

Unique Identifier:SPE00310002
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:143.074 g/mol
X log p:-2.95  (online calculus)
Lipinksi Failures0
TPSA0
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:4
Canonical Smiles:OCC(O)C(O)C(O)CO
Class:carbohydrate
Source:Adonis spp
Reference:Pharm Acta Helv 23: 153 (1948); JACS 104: 1109 (1982); J Chem Soc 1983: 1553
Generic_name:D-XYLITOL
Chemical_iupac_name:D-XYLITOL
Drug_type:Experimental
Drugbank_id:EXPT03268
Drug_category:32.1 Kda Protein In Adh3-Rca1 Intergenic inhibitor
Organisms_affected:-1

Found: 205 nonactive as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [205]
Species: 4932
Condition: ARX1
Replicates: 2
Raw OD Value: r im 0.7082±0.00296985
Normalized OD Score: sc h 1.0463±0.0164519
Z-Score: 2.3181±1.00466
p-Value: 0.05518
Z-Factor: -1.81782
Fitness Defect: 2.8972
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:6|A9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.10 Celcius
Date:2007-10-11 YYYY-MM-DD
Plate CH Control (+):0.039425±0.00139
Plate DMSO Control (-):0.6755249999999999±0.02177
Plate Z-Factor:0.8906
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DBLink | Rows returned: 11<< Back 1 2
439255 (2S,4S)-pentane-1,2,3,4,5-pentol
449180 (4R)-pentane-1,2,3,4,5-pentol
544741 cyclopentane-1,2,4-triol
552295 cyclopentane-1,2,3,4,5-pentol
552302 cyclopentane-1,2,3,4-tetrol

internal high similarity DBLink | Rows returned: 1
NRB 05167 1.0000

active | Cluster 2846 | Additional Members: 7 | Rows returned: 0

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