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Compound InformationSONAR Target prediction
Name:

ACETYLCHOLINE

Unique Identifier:SPE01500104
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:165.533 g/mol
X log p:0.00600000000000001  (online calculus)
Lipinksi Failures0
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:2
Rotatable Bond Count:4
Canonical Smiles:[ClH-].CC(=O)OCC[N+](C)(C)C
Source:synthetic
Therapeutics:antiarrhythmic, miotic, vasodilator (peripheral)
Generic_name:ACETYLCHOLINE
Chemical_iupac_name:ACETYLCHOLINE
Drug_type:Experimental
Kegg_compound_id:C01996
Drugbank_id:EXPT00412
Logp:-3.9 +/- 0.36
Cas_registry_number:51-84-3
Drug_category:Acetylcholinesterase inhibitor
Organisms_affected:-1

Found: 25 active | as graph: single | with analogs [1] << Back 21 22 23 24 25 Next >> [25]
Species: 4932
Condition: ELG1
Replicates: 2
Raw OD Value: r im 0.7578±0.00113137
Normalized OD Score: sc h 1.0851±0.00674556
Z-Score: 5.3333±0.364524
p-Value: 0.000000204434
Z-Factor: -3.83781
Fitness Defect: 15.403
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:10|D2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.20 Celcius
Date:2007-10-10 YYYY-MM-DD
Plate CH Control (+):0.040025000000000005±0.00056
Plate DMSO Control (-):0.7028±0.12629
Plate Z-Factor:0.4048
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DBLink | Rows returned: 8<< Back 1 2
5315629 2-acetyloxyethyl-trimethyl-azanium hydroxide
6994138 2-acetyloxyethyl-dimethyl-azanium

internal high similarity DBLink | Rows returned: 0

active | Cluster 239 | Additional Members: 7 | Rows returned: 1
LOPAC 00736 0.451612903225806

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