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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 2 3 4 5 6 7 8 9 10  Next >> [24]
Species: 4932
Condition: BY4741
Replicates: 8
Raw OD Value: r im 0.7774±0.120398
Normalized OD Score: sc h 0.9829±0.0252233
Z-Score: -0.4620±1.15587
p-Value: 0.497458
Z-Factor: -157.226
Fitness Defect: 0.6982
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:2005-04-07 YYYY-MM-DD
Plate CH Control (+):0.04716875000000002±0.00193
Plate DMSO Control (-):0.7670249999999997±0.04497
Plate Z-Factor:0.7866
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DBLink | Rows returned: 20<< Back 1 2 3 4
6992099 4-azaniumylbutanoate
7350690 4-azaniumyl-3,3-dimethyl-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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