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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 171 172 173 174 175 176 177 178 179 180  Next >> [205]
Species: 4932
Condition: SSE1
Replicates: 2
Raw OD Value: r im 0.3826±0.011738
Normalized OD Score: sc h 0.9857±0.00119714
Z-Score: -0.3908±0.0032166
p-Value: 0.695958
Z-Factor: -7.37427
Fitness Defect: 0.3625
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:13|C3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.80 Celcius
Date:2008-05-01 YYYY-MM-DD
Plate CH Control (+):0.041225±0.00159
Plate DMSO Control (-):0.373375±0.02062
Plate Z-Factor:0.7862
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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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