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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: SAP30
Replicates: 2
Raw OD Value: r im 0.8093±0.00982878
Normalized OD Score: sc h 0.9846±0.00463956
Z-Score: -1.3378±0.485235
p-Value: 0.206338
Z-Factor: -2.7288
Fitness Defect: 1.5782
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:1|A6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.90 Celcius
Date:2005-11-18 YYYY-MM-DD
Plate CH Control (+):0.039±0.00464
Plate DMSO Control (-):0.7973250000000001±0.01587
Plate Z-Factor:0.9521
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DBLink | Rows returned: 20<< Back 1 2 3 4 Next >> 
4069074 (3-carboxy-2,2-dimethyl-propyl)azanium
4189826 3-carboxybutylazanium
5460232 4-aminobutanoate
6604938 (3R)-4-amino-3-methyl-butanoic acid
6954859 (2S)-4-azaniumyl-2-methyl-butanoate
6954860 (2R)-4-azaniumyl-2-methyl-butanoate

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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