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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 1 2 3 4 5 6 7 8 9 10  Next >> [24]
Species: 4932
Condition: CLN3
Replicates: 2
Raw OD Value: r im 0.6641±0.0258094
Normalized OD Score: sc h 0.9652±0.00106227
Z-Score: -1.2155±0.235274
p-Value: 0.230584
Z-Factor: -1824.26
Fitness Defect: 1.4671
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:1|A6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.80 Celcius
Date:2005-05-08 YYYY-MM-DD
Plate CH Control (+):0.047725000000000004±0.00049
Plate DMSO Control (-):0.6973750000000001±0.05506
Plate Z-Factor:0.7382
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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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