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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: SMI1
Replicates: 2
Raw OD Value: r im 0.6847±0.0379716
Normalized OD Score: sc h 0.9985±0.0681207
Z-Score: 0.0326±1.86304
p-Value: 0.187949
Z-Factor: -97.4185
Fitness Defect: 1.6716
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:1|A6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.20 Celcius
Date:2005-11-15 YYYY-MM-DD
Plate CH Control (+):0.039175±0.00426
Plate DMSO Control (-):0.6864250000000001±0.02105
Plate Z-Factor:0.8790
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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
SPE01500678 1.0000

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

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