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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 81 82 83 84 85 86 87 88 89 90  Next >> [104]
Species: 4932
Condition: SRL3
Replicates: 2
Raw OD Value: r im 0.7030±0.00509117
Normalized OD Score: sc h 0.9901±0.00575426
Z-Score: -0.5583±0.336295
p-Value: 0.587312
Z-Factor: -6.17793
Fitness Defect: 0.5322
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:19|F4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.50 Celcius
Date:2008-09-17 YYYY-MM-DD
Plate CH Control (+):0.042675000000000005±0.00085
Plate DMSO Control (-):0.6936500000000001±0.01075
Plate Z-Factor:0.9489
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

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

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