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

Compound InformationSONAR Target prediction
Name:

DEHYDROCHOLIC ACID

Unique Identifier:SPE01500907
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C24H34O5
Molecular Weight:369.262 g/mol
X log p:  (online calculus)
Lipinksi Failures
TPSA
Hydrogen Bond Donor Count:
Hydrogen Bond Acceptors Count:
Rotatable Bond Count:
Canonical Smiles:CC(CCC(O)=O)C1CCC2C3C(CC(=O)C12C)C1(C)CCC(=O)CC1CC3=O
Class:sterol
Source:derivative of cholic acid

Found: 104 nonactive as graph: single | with analogs [1] << Back 71 72 73 74 75 76 77 78 79 80  Next >> [104]
Species: 4932
Condition: RRP6
Replicates: 2
Raw OD Value: r im 0.6536±0.0335876
Normalized OD Score: sc h 1.0208±0.00343026
Z-Score: 0.7610±0.153531
p-Value: 0.449344
Z-Factor: -2.70196
Fitness Defect: 0.8
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:19|F4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.40 Celcius
Date:2008-03-14 YYYY-MM-DD
Plate CH Control (+):0.041025000000000006±0.00032
Plate DMSO Control (-):0.619675±0.01836
Plate Z-Factor:0.8870
png
ps
pdf

DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 7145 | Additional Members: 4 | Rows returned: 1
SPE01500225 0.151515151515151

Service provided by the Mike Tyers Laboratory