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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: BNI4
Replicates: 2
Raw OD Value: r im 0.6360±0.0113844
Normalized OD Score: sc h 1.0219±0.0118636
Z-Score: 0.6650±0.314341
p-Value: 0.516436
Z-Factor: -3.46044
Fitness Defect: 0.6608
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:2006-03-22 YYYY-MM-DD
Plate CH Control (+):0.03955±0.00070
Plate DMSO Control (-):0.640825±0.01531
Plate Z-Factor:0.9537
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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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