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Compound InformationSONAR Target prediction
Name:

NG-Monomethyl-L-arginine acetate

Unique Identifier:LOPAC 00447
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C9H20N4O4
Molecular Weight:229.129 g/mol
X log p:-2.26  (online calculus)
Lipinksi Failures0
TPSA17.07
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:6
Rotatable Bond Count:7
Canonical Smiles:CNC(=N)NCCCC(N)C(O)=O.CC(O)=O
Class:Nitric Oxide
Action:Inhibitor
Selectivity:NOS
Generic_name:ADMA
Chemical_iupac_name:NG,NG-DIMETHYL-L-ARGININE
Drug_type:Experimental
Kegg_compound_id:C03626
Drugbank_id:EXPT01101
Logp:-3.164
Cas_registry_number:102783-24-4
Drug_category:Nitric Oxide Synthase 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 0.7654±0.0780207
Normalized OD Score: sc h 1.0086±0.0142665
Z-Score: 0.2963±0.64183
p-Value: 0.692322
Z-Factor: -6.7675
Fitness Defect: 0.3677
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:10|C11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.70 Celcius
Date:2005-04-07 YYYY-MM-DD
Plate CH Control (+):0.047456250000000026±0.00556
Plate DMSO Control (-):0.76401875±0.03843
Plate Z-Factor:0.8776
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 4
LOPAC 00409 0.9231
RH 01444 0.9231
LOPAC 00422 1.0000
SPE01502194 1.0000

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 00422 0.333333333333333
SPE01500855 0.314285714285714

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