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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 21 22 23 24 25 26 27 28 29 30  Next >> [114]
Species: 4932
Condition: CDC73
Replicates: 2
Raw OD Value: r im 0.4553±0.033729
Normalized OD Score: sc h 1.0845±0.0112722
Z-Score: 2.1225±0.172531
p-Value: 0.035128
Z-Factor: -3.53602
Fitness Defect: 3.3488
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:19|D4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.80 Celcius
Date:2007-09-19 YYYY-MM-DD
Plate CH Control (+):0.039975±0.00031
Plate DMSO Control (-):0.39942500000000003±0.08627
Plate Z-Factor:0.2020
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DBLink | Rows returned: 201 2 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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