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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: CIN2
Replicates: 2
Raw OD Value: r im 0.7985±0.0127986
Normalized OD Score: sc h 0.9987±0.00521036
Z-Score: -0.0766±0.294887
p-Value: 0.835302
Z-Factor: -105.126
Fitness Defect: 0.18
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:19|D4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.10 Celcius
Date:2006-02-14 YYYY-MM-DD
Plate CH Control (+):0.038974999999999996±0.00111
Plate DMSO Control (-):0.784±0.00911
Plate Z-Factor:0.9526
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DBLink | Rows returned: 202 3 4 Next >> 
119 4-aminobutanoic acid
210329 4-aminobutanoic acid hydrochloride
449579 3-carboxypropylazanium
451012 4-aminobutanoic acid
451016 4-aminobutanoic acid
910834 4-amino-3,3-dimethyl-butanoic acid

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

nonactive | Cluster 13075 | Additional Members: 7 | Rows returned: 6
LOPAC 00598 0.347826086956522
SPE01501126 0.217391304347826
LOPAC 00565 0.217391304347826
Prest1193 0
LOPAC 00685 0
SPE01500114 0

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