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Compound InformationSONAR Target prediction
Name:

GABA

Unique Identifier:LOPAC 00598
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
Class:GABA
Action:Agonist
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: 24 nonactive as graph: single | with analogs [1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [24]
Species: 4932
Condition: MT2481-pdr1pdr3
Replicates: 2
Raw OD Value: r im 0.6616±0.0241123
Normalized OD Score: sc h 0.9721±0.0218653
Z-Score: -1.5285±1.12613
p-Value: 0.242052
Z-Factor: -4.96384
Fitness Defect: 1.4186
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:1|A6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.60 Celcius
Date:2005-04-08 YYYY-MM-DD
Plate CH Control (+):0.048299999999999996±0.00112
Plate DMSO Control (-):0.66215±0.01567
Plate Z-Factor:0.9146
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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
SPE01500678 1.0000

nonactive | Cluster 13075 | Additional Members: 7 | Rows returned: 6
SPE01500678 0.347826086956522
SPE01501126 0.217391304347826
LOPAC 00565 0.217391304347826
Prest1193 0
LOPAC 00685 0
SPE01500114 0

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