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Compound InformationSONAR Target prediction
Name:

N-ACETYLASPARTIC ACID

Unique Identifier:SPE01504213
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:166.068 g/mol
X log p:-2.034  (online calculus)
Lipinksi Failures0
TPSA51.21
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:6
Rotatable Bond Count:5
Canonical Smiles:CC(=O)NC(CC(O)=O)C(O)=O
Source:synthetic
Therapeutics:analeptic, neurostimulant

Found: 192 nonactive as graph: single | with analogs [1] << Back 171 172 173 174 175 176 177 178 179 180  Next >> [192]
Species: 4932
Condition: SER1
Replicates: 2
Raw OD Value: r im 0.6538±0.0265165
Normalized OD Score: sc h 1.0125±0.000105785
Z-Score: 0.3951±0.0141772
p-Value: 0.692786
Z-Factor: -6.96905
Fitness Defect: 0.367
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:20|C8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.40 Celcius
Date:2007-09-17 YYYY-MM-DD
Plate CH Control (+):0.03975±0.00052
Plate DMSO Control (-):0.628825±0.02866
Plate Z-Factor:0.8068
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DBLink | Rows returned: 91 2 Next >> 
65065 (2S)-2-acetamidobutanedioic acid
97508 2-acetamidobutanedioic acid
306130 2-acetamido-3-methyl-butanedioic acid
568312 2-acetamido-2-methyl-butanedioic acid
774916 (2R)-2-acetamidobutanedioic acid
2042020 (2S)-2-acetamidobutanedioate

internal high similarity DBLink | Rows returned: 0

active | Cluster 12525 | Additional Members: 9 | Rows returned: 0
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