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Compound InformationSONAR Target prediction
Name:

CREATININE

Unique Identifier:SPE01600300
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:106.062 g/mol
X log p:-0.031  (online calculus)
Lipinksi Failures0
TPSA20.31
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:0
Canonical Smiles:CN1CC(=O)NC1=N
Class:alkaloid
Source:metabolite in muscle and urine; renal metabolite
Reference:J Biol Chem 81:73 (1929); JACS 93:5552 (1971)
Therapeutics:metabolic enhancer

Found: 205 nonactive as graph: single | with analogs [1] << Back 191 192 193 194 195 196 197 198 199 200  Next >> [205]
Species: 4932
Condition: SUR2
Replicates: 2
Raw OD Value: r im 0.7344±0.00311127
Normalized OD Score: sc h 1.0217±0.00514018
Z-Score: 1.0968±0.27894
p-Value: 0.282008
Z-Factor: -2.41927
Fitness Defect: 1.2658
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:24|D11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.10 Celcius
Date:2008-05-06 YYYY-MM-DD
Plate CH Control (+):0.04185±0.00169
Plate DMSO Control (-):0.6975750000000001±0.01421
Plate Z-Factor:0.9254
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 1453 | Additional Members: 1 | Rows returned: 0
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