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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 31 32 33 34 35 36 37 38 39 40  Next >> [114]
Species: 4932
Condition: CKA2
Replicates: 2
Raw OD Value: r im 0.8630±0.00176777
Normalized OD Score: sc h 1.0139±0.00334516
Z-Score: 0.4983±0.097383
p-Value: 0.619134
Z-Factor: -4.18343
Fitness Defect: 0.4794
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:19|D4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.90 Celcius
Date:2006-04-03 YYYY-MM-DD
Plate CH Control (+):0.03865±0.00211
Plate DMSO Control (-):0.8331500000000001±0.01980
Plate Z-Factor:0.9239
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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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