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

Compound InformationSONAR Target prediction
Name:

ESCULETIN

Unique Identifier:SPE01500899
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:172.094 g/mol
X log p:8.826  (online calculus)
Lipinksi Failures1
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:0
Canonical Smiles:Oc1cc2OC(=O)C=Cc2cc1O
Class:coumarin
Source:Aesculus and Solanaceae spp
Therapeutics:antifungal

Found: 205 nonactive as graph: single | with analogs [1] << Back 201 202 203 204 205 Next >> [205]
Species: 4932
Condition: NPR1
Replicates: 2
Raw OD Value: r im 0.9192±0.00254558
Normalized OD Score: sc h 0.9207±0.00553893
Z-Score: -1.1121±0.176532
p-Value: 0.269826
Z-Factor: -0.417424
Fitness Defect: 1.31
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:22|B6
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2012-09-18 YYYY-MM-DD
Plate CH Control (+):0.0008749999999999999±0.00083
Plate DMSO Control (-):1.0055±0.02948
Plate Z-Factor:0.9053
png
ps
pdf

DBLink | Rows returned: 1
5281416 6,7-dihydroxychromen-2-one

internal high similarity DBLink | Rows returned: 4
NRB 03190 0.9072
SPE01504069 0.9167
LOPAC 00840 0.9348
SPE01502242 0.9462

active | Cluster 16508 | Additional Members: 6 | Rows returned: 0
Service provided by the Mike Tyers Laboratory