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Compound InformationSONAR Target prediction
Name:

S-Methyl-L-thiocitrulline acetate

Unique Identifier:LOPAC 00411
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C9H19N3O4S
Molecular Weight:246.18 g/mol
X log p:-1.762  (online calculus)
Lipinksi Failures0
TPSA42.37
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:7
Canonical Smiles:CSC(=N)NCCCC(N)C(O)=O.CC(O)=O
Class:Nitric Oxide
Action:Inhibitor
Selectivity:NOS

Found: 24 nonactive as graph: single | with analogs [1] << Back 21 22 23 24 Next >> [24]
Species: 4932
Condition: TEP1
Replicates: 2
Raw OD Value: r im 0.5919±0.00523259
Normalized OD Score: sc h 1.0003±0.00447932
Z-Score: 0.0280±0.181455
p-Value: 0.897944
Z-Factor: -39.0378
Fitness Defect: 0.1076
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:10|F8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:0.00 Celcius
Date:2005-05-17 YYYY-MM-DD
Plate CH Control (+):0.045975±0.00652
Plate DMSO Control (-):0.574525±0.01107
Plate Z-Factor:0.8764
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 4071 | Additional Members: 12 | Rows returned: 91 2 Next >> 
LOPAC 00681 0.5
LOPAC 01348 0.384615384615385
SPE01502194 0.333333333333333
LOPAC 00447 0.333333333333333
LOPAC 00422 0.333333333333333
SPE01500855 0.314285714285714

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