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Compound InformationSONAR Target prediction
Name:

S-Nitrosoglutathione

Unique Identifier:LOPAC 01085
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C10H16N4O7S
Molecular Weight:320.196 g/mol
X log p:-2.695  (online calculus)
Lipinksi Failures1
TPSA123.01
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:9
Rotatable Bond Count:13
Canonical Smiles:NC(CCC(=O)NC(CSN=O)C(=O)NCC(O)=O)C(O)=O
Class:Nitric Oxide
Action:Donor

Found: 24 nonactive as graph: single | with analogs [1] << Back 21 22 23 24
Species: 4932
Condition: WHI5
Replicates: 2
Raw OD Value: r im 0.6209±0.0019799
Normalized OD Score: sc h 1.0133±0.00121179
Z-Score: 0.3990±0.0116045
p-Value: 0.68994
Z-Factor: -3.62442
Fitness Defect: 0.3712
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:11|B8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:0.00 Celcius
Date:2005-04-20 YYYY-MM-DD
Plate CH Control (+):0.046275±0.00039
Plate DMSO Control (-):0.669425±0.10050
Plate Z-Factor:0.3936
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DBLink | Rows returned: 5
3514 2-amino-4-[[1-(carboxymethylcarbamoyl)-2-nitrososulfanyl-ethyl]carbamoyl]butanoic acid
104858 (2S)-2-amino-4-[[(1R)-1-(carboxymethylcarbamoyl)-2-nitrososulfanyl-ethyl]carbamoyl]butanoic acid
6603946 (2R)-2-amino-4-[[(1S)-1-(carboxymethylcarbamoyl)-2-nitrososulfanyl-ethyl]carbamoyl]butanoic acid
6857718 (2S)-2-amino-4-[[(1R)-1-(carboxylatomethylcarbamoyl)-2-nitrososulfanyl-ethyl]carbamoyl]butanoate
7059524 (2S)-2-azaniumyl-4-[[(1R)-1-(carboxylatomethylcarbamoyl)-2-nitrososulfanyl-ethyl]carbamoyl]butanoate

internal high similarity DBLink | Rows returned: 0

active | Cluster 33 | Additional Members: 4 | Rows returned: 0
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