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Compound InformationSONAR Target prediction
Name:

SODIUM FLUOROACETATE

Unique Identifier:SPE00330009
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:98.0084 g/mol
X log p:-0.453  (online calculus)
Lipinksi Failures0
TPSA40.13
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:2
Rotatable Bond Count:1
Canonical Smiles:[Na+].[O-]C(=O)CF
Source:synthetic
Therapeutics:inhibits citric acid cycle

Found: 191 nonactive | as graph: single | with analogs 1 2 3 4 5 6 7 8 9 10  Next >> [191]
Species: 4932
Condition: AAT2
Replicates: 2
Raw OD Value: r im 0.7220±0.0059397
Normalized OD Score: sc h 1.0095±0.00570995
Z-Score: 0.5011±0.292481
p-Value: 0.62375
Z-Factor: -3.41073
Fitness Defect: 0.472
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:17|D10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.90 Celcius
Date:2008-04-08 YYYY-MM-DD
Plate CH Control (+):0.03985±0.00085
Plate DMSO Control (-):0.7016499999999999±0.00997
Plate Z-Factor:0.9413
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DBLink | Rows returned: 13<< Back 1 2 3 Next >> 
45134 calcium 2-fluoroacetate
45136 2-fluoroacetate; magnesium(+2) cation
45137 2-fluoroacetate; mercury(+2) cation
45138 2-fluoroacetate; thallium(+1) cation
450656 2-fluoroacetic acid
5353948 2-fluoroacetic acid

internal high similarity DBLink | Rows returned: 0

active | Cluster 250 | Additional Members: 1 | Rows returned: 0
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