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Compound InformationSONAR Target prediction
Name:

ORSELLINIC ACID

Unique Identifier:SPE00300001
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:160.083 g/mol
X log p:3.494  (online calculus)
Lipinksi Failures0
TPSA17.07
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:1
Canonical Smiles:Cc1cc(O)cc(O)c1C(O)=O
Class:aromatic
Source:common lichen constituent

Found: 205 nonactive as graph: single | with analogs [1] << Back 131 132 133 134 135 136 137 138 139 140  Next >> [205]
Species: 4932
Condition: GSY2
Replicates: 2
Raw OD Value: r im 0.6851±0.00311127
Normalized OD Score: sc h 1.0369±0.00161555
Z-Score: 1.7287±0.0921929
p-Value: 0.084525
Z-Factor: -3.20616
Fitness Defect: 2.4707
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:13|C3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.10 Celcius
Date:2008-04-30 YYYY-MM-DD
Plate CH Control (+):0.040374999999999994±0.00173
Plate DMSO Control (-):0.660175±0.02969
Plate Z-Factor:0.8505
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DBLink | Rows returned: 2
68072 2,4-dihydroxy-6-methyl-benzoic acid
5460334 2,4-dihydroxy-6-methyl-benzoate

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 13178 | Additional Members: 8 | Rows returned: 6
SPE00200070 0.490566037735849
SPE00210072 0.478260869565217
SPE00200061 0.471698113207547
SPE00210925 0.307692307692308
SPE00200002 0
LAT001D03 0

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