Home | Screening data | Screen comparisons | Search for compounds | Structure search

Compound InformationSONAR Target prediction
Name:

PSOROMIC ACID HYDRATE

Unique Identifier:SPE01504106
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C18H16O9
Molecular Weight:360.187 g/mol
X log p:3.932  (online calculus)
Lipinksi Failures0
TPSA61.83
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:9
Rotatable Bond Count:3
Canonical Smiles:COc1cc(C(O)=O)c2Oc3c(C(O)O)c(O)cc(C)c3C(=O)Oc2c1C
Source:ex Usnea spp; dehydrates to psoromic acid at 250 C

Found: 100 nonactive | as graph: single | with analogs [1] << Back 51 52 53 54 55 56 57 58 59 60  Next >> [100]
Species: 4932
Condition: MRT4
Replicates: 2
Raw OD Value: r im 0.6066±0.0582656
Normalized OD Score: sc h 0.9767±0.00290843
Z-Score: -0.7815±0.20932
p-Value: 0.439492
Z-Factor: -21.0609
Fitness Defect: 0.8221
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:8|C3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.90 Celcius
Date:2007-08-30 YYYY-MM-DD
Plate CH Control (+):0.039874999999999994±0.00238
Plate DMSO Control (-):0.5941000000000001±0.04362
Plate Z-Factor:0.7386
png
ps
pdf

DBLink | Rows returned: 1
3344819

internal high similarity DBLink | Rows returned: 2
SPE00200489 0.9200
SPE00200040 0.9796

active | Cluster 8237 | Additional Members: 3 | Rows returned: 1
SPE00200040 0.328125

Service provided by the Mike Tyers Laboratory