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Compound InformationSONAR Target prediction
Name:

HAEMATOMMIC ACID

Unique Identifier:SPE01400131
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:188.093 g/mol
X log p:3.966  (online calculus)
Lipinksi Failures0
TPSA34.14
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:2
Canonical Smiles:Cc1cc(O)c(C=O)c(O)c1C(O)=O
Class:aromatic
Source:Alectoria spp, Haematomma spp and Lethariella spp
Reference:J Org Chem 42: 2526 (1977); Helv Chim Acta 72: 1061 (1989)

Found: 204 nonactive | as graph: single | with analogs 1 2 3 4 5 6 7 8 9 10  Next >> [204]
Species: 4932
Condition: APC9
Replicates: 2
Raw OD Value: r im 0.7124±0.00346482
Normalized OD Score: sc h 1.0130±0.000608262
Z-Score: 0.7042±0.0436619
p-Value: 0.481518
Z-Factor: -6.31595
Fitness Defect: 0.7308
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:9|B11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.00 Celcius
Date:2007-11-22 YYYY-MM-DD
Plate CH Control (+):0.041624999999999995±0.00032
Plate DMSO Control (-):0.684675±0.01815
Plate Z-Factor:0.9186
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DBLink | Rows returned: 1
6710680 3-formyl-2,4-dihydroxy-6-methyl-benzoic acid

internal high similarity DBLink | Rows returned: 1
SPE00200640 0.9259

active | Cluster 3139 | Additional Members: 3 | Rows returned: 1
SPE00205071 0.446808510638298

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