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Compound InformationSONAR Target prediction
Name:

gamma-AMINOBUTYRIC ACID

Unique Identifier:SPE01500678
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C4H9NO2
Molecular Weight:94.0483 g/mol
X log p:-1.394  (online calculus)
Lipinksi Failures0
TPSA17.07
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:3
Canonical Smiles:NCCCC(O)=O
Source:widely distributed in higher plants
Therapeutics:antihypertensive
Generic_name:GAMMA(AMINO)-BUTYRIC ACID
Chemical_iupac_name:GAMMA-AMINO-BUTANOIC ACID
Drug_type:Experimental
Drugbank_id:EXPT00402
Logp:-0.55
Drug_category:L-Arginine: Glycine Amidinotransferase inhibitor
Organisms_affected:-1

Found: 114 nonactive as graph: single | with analogs [1] << Back 101 102 103 104 105 106 107 108 109 110  Next >> [114]
Species: 4932
Condition: UBP8
Replicates: 2
Raw OD Value: r im 0.6584±0.019799
Normalized OD Score: sc h 1.0250±0.00851838
Z-Score: 1.0294±0.351547
p-Value: 0.318096
Z-Factor: -7.14941
Fitness Defect: 1.1454
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:19|D4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.00 Celcius
Date:2007-10-17 YYYY-MM-DD
Plate CH Control (+):0.040150000000000005±0.00078
Plate DMSO Control (-):0.6261±0.11386
Plate Z-Factor:0.3829
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DBLink | Rows returned: 20<< Back 1 2 3 4 Next >> 
928193 (2S)-4-amino-2-methyl-butanoic acid
928194 (2R)-4-amino-2-methyl-butanoic acid
1502029 4-amino-2,2-dimethyl-butanoic acid
3014513 sodium 4-aminobutanoate
3539719 4-amino-3-methyl-butanoic acid
3759025 4-amino-2-methyl-butanoic acid

internal high similarity DBLink | Rows returned: 1
LOPAC 00598 1.0000

active | Cluster 13075 | Additional Members: 7 | Rows returned: 1
SPE01500114 0

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