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Compound InformationSONAR Target prediction
Name:

Barium Acetate

Unique Identifier:LAT007C06
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:BaC4H6O4
Molecular Weight:249.367 g/mol
X log p:-0.828  (online calculus)
Lipinksi Failures0
TPSA40.13
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:2
Rotatable Bond Count:0
Canonical Smiles:[Ba+2].[O-]C(C)=O.[O-]C(C)=O
Generic_name:ACETATE ION
Chemical_iupac_name:ACETATE ION
Drug_type:Experimental
Drugbank_id:EXPT00420
Drug_category:Bse634I Restriction Endonuclease inhibitor
Organisms_affected:-1

Found: 5 nonactive as graph: single | with analogs << Back 1 2 3 4 5 Next >> 
Species: 4932
Condition: pdr22h
Replicates: 2
Raw OD Value: r im 0.6635±0.026163
Normalized OD Score: sc h 0.9790±0.0262873
Z-Score: -0.6746±0.809519
p-Value: 0.565486
Z-Factor: -4.56568
Fitness Defect: 0.5701
Bioactivity Statement: Nonactive
Experimental Conditions
Library:LATCA
Plate Number and Position:7|C6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.00 Celcius
Date:2007-03-08 YYYY-MM-DD
Plate CH Control (+):0.041±0.00244
Plate DMSO Control (-):0.669125±0.01056
Plate Z-Factor:0.9418
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DBLink | Rows returned: 255[1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [43]
114668 copper azane diacetate
120304 chromium(+2) cation diacetate
134717 magnesium(+2) cation diacetate tetrahydrate
136860 acetic acid
152122 rhodium(+2) cation tetraacetate
156383 calcium magnesium(+2) cation tetraacetate

internal high similarity DBLink | Rows returned: 0

active | Cluster 1 | Additional Members: 50 | Rows returned: 141 2 3 Next >> 
LOPAC 00756 0
SPE01503692 0
LAT007G07 0
Prest1291 0
LAT007H07 0
LAT007E08 0

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