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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 31 32 33 34 35 36 37 38 39 40  Next >> [205]
Species: 4932
Condition: DUN1
Replicates: 2
Raw OD Value: r im 0.7073±0.0157685
Normalized OD Score: sc h 0.9999±0.00276803
Z-Score: -0.0066±0.104324
p-Value: 0.941196
Z-Factor: -82.319
Fitness Defect: 0.0606
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:4|H9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.30 Celcius
Date:2006-04-20 YYYY-MM-DD
Plate CH Control (+):0.039025000000000004±0.00186
Plate DMSO Control (-):0.6818±0.01700
Plate Z-Factor:0.9245
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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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