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Compound InformationSONAR Target prediction
Name:

Thiocitrulline

Unique Identifier:LOPAC 00469
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C6H13N3O2S
Molecular Weight:178.149 g/mol
X log p:-2.13  (online calculus)
Lipinksi Failures0
TPSA49.16
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:6
Canonical Smiles:NC(CCCNC(N)=S)C(O)=O
Class:Nitric Oxide
Action:Inhibitor
Selectivity:nNOS, eNOS

Found: 24 nonactive as graph: single | with analogs [1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [24]
Species: 4932
Condition: NOP16
Replicates: 2
Raw OD Value: r im 0.7560±0.0066468
Normalized OD Score: sc h 1.0222±0.0190475
Z-Score: 1.0908±1.01213
p-Value: 0.389184
Z-Factor: -5.23763
Fitness Defect: 0.9437
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:16|E5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:0.00 Celcius
Date:2005-04-22 YYYY-MM-DD
Plate CH Control (+):0.04505±0.00094
Plate DMSO Control (-):0.70245±0.02757
Plate Z-Factor:0.8824
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DBLink | Rows returned: 5
2733514 (2S)-2-amino-5-(carbamothioylamino)pentanoic acid
2734085 (2S)-2-amino-5-(carbamothioylamino)pentanoic acid dihydrochloride
3353976 2-amino-5-(carbamothioylamino)pentanoic acid
6604020 (2R)-2-amino-5-(carbamothioylamino)pentanoic acid
6992122 (2S)-2-azaniumyl-5-(carbamothioylamino)pentanoate

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
LOPAC 00411 0.333333333333333
SPE01502194 0.333333333333333
LOPAC 00447 0.333333333333333
LOPAC 00422 0.333333333333333

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