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Compound InformationSONAR Target prediction
Name:

PROPOFOL

Unique Identifier:SPE01505022
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C12H18O
Molecular Weight:160.128 g/mol
X log p:  (online calculus)
Lipinksi Failures
TPSA
Hydrogen Bond Donor Count:
Hydrogen Bond Acceptors Count:
Rotatable Bond Count:
Canonical Smiles:CC(C)c1cccc(C(C)C)c1O
Source:synthetic; ICI-35868
Therapeutics:anesthetic

Found: 104 nonactive as graph: single | with analogs [1] << Back 101 102 103 104
Species: 4932
Condition: YPT6
Replicates: 2
Raw OD Value: r im 0.4576±0.016617
Normalized OD Score: sc h 0.9703±0.00578937
Z-Score: -0.8375±0.163997
p-Value: 0.405484
Z-Factor: -2.31629
Fitness Defect: 0.9027
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:24|G3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.10 Celcius
Date:2008-06-05 YYYY-MM-DD
Plate CH Control (+):0.041025000000000006±0.00284
Plate DMSO Control (-):0.48297500000000004±0.01395
Plate Z-Factor:0.8748
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 1212 | Additional Members: 3 | Rows returned: 0
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