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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 1 2 3 4 5 6 7 8 9 10  Next >> [114]
Species: 4932
Condition: BY4741-3rd
Replicates: 2
Raw OD Value: r im 0.9050±0.00558614
Normalized OD Score: sc h 0.9886±0.00828124
Z-Score: 0.9997±0.280996
p-Value: 0.326958
Z-Factor: -8.01647
Fitness Defect: 1.1179
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:18|A8
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2010-08-10 YYYY-MM-DD
Plate CH Control (+):0.09749999999999999±0.00789
Plate DMSO Control (-):0.9674999999999999±0.01109
Plate Z-Factor:0.9352
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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

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

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