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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 61 62 63 64 65 66 67 68 69 70  Next >> [104]
Species: 4932
Condition: NAT1
Replicates: 2
Raw OD Value: r im 0.7013±0.00162635
Normalized OD Score: sc h 0.9915±0.00646958
Z-Score: -0.4934±0.367758
p-Value: 0.633346
Z-Factor: -13.2168
Fitness Defect: 0.4567
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:19|F4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.70 Celcius
Date:2008-06-26 YYYY-MM-DD
Plate CH Control (+):0.040275±0.00070
Plate DMSO Control (-):0.69565±0.01295
Plate Z-Factor:0.9248
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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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