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

Compound InformationSONAR Target prediction
Name:

3beta-HYDROXYISOALLOSPIROST-9(11)-ENE

Unique Identifier:SPE00100305
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:372.287 g/mol
X log p:1.805  (online calculus)
Lipinksi Failures0
TPSA18.46
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:0
Canonical Smiles:CC1CCC2(OC1)OC1CC3C4CCC5CC(O)CCC5(C)C4=CCC3(C)C1C2C
Class:sterol
Source:semisynthetic

Found: 616 nonactive as graph: single | with analogs [1] << Back 541 542 543 544 545 546 547 548 549 550  Next >> [616]
Species: 4932
Condition: KEM1
Replicates: 2
Raw OD Value: r im 0.6004±0.00961665
Normalized OD Score: sc h 1.0095±0.00747182
Z-Score: 0.3827±0.296954
p-Value: 0.70814
Z-Factor: -5.99164
Fitness Defect: 0.3451
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:10|E2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.60 Celcius
Date:2008-05-08 YYYY-MM-DD
Plate CH Control (+):0.041475±0.00112
Plate DMSO Control (-):0.5933250000000001±0.01162
Plate Z-Factor:0.9420
png
ps
pdf

DBLink | Rows returned: 4
3535625
6451184
6576562
6708606

internal high similarity DBLink | Rows returned: 1
SPE00100318 0.9545

nonactive | Cluster 6147 | Additional Members: 3 | Rows returned: 0
Service provided by the Mike Tyers Laboratory