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Compound InformationSONAR Target prediction
Name:

2-(4,4-dimethylcyclohexyl)propan-2-ol

Unique Identifier:NRB 02318
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C11H22O
Molecular Weight:148.117 g/mol
X log p:-0.528  (online calculus)
Lipinksi Failures0
TPSA0
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:1
Rotatable Bond Count:1
Canonical Smiles:CC(C)(O)C1CCC(C)(C)CC1
Generic_name:5-ALPHA-ANDROSTANE-3-BETA,17BETA-DIOL
Chemical_iupac_name:5-ALPHA-ANDROSTANE-3-BETA,17BETA-DIOL
Drug_type:Experimental
Drugbank_id:EXPT00530
Logp:3.73
Drug_category:Sex Hormone-Binding Globulin inhibitor
Organisms_affected:-1

Found: 49 nonactive | as graph: single | with analogs 2 3 4 5 6 7 8 9 10  Next >> [49]
Species: 4932
Condition: ALG12
Replicates: 2
Raw OD Value: r im 0.6528±0.0342947
Normalized OD Score: sc h 1.0147±0.0235773
Z-Score: 0.5323±0.848524
p-Value: 0.601774
Z-Factor: -7.91857
Fitness Defect: 0.5079
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Maybridge1000
Plate Number and Position:8|A8
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:21.00 Celcius
Date:2006-11-01 YYYY-MM-DD
Plate CH Control (+):0.038974999999999996±0.00319
Plate DMSO Control (-):0.6649±0.01645
Plate Z-Factor:0.9155
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DBLink | Rows returned: 2037[1] << Back 21 22 23 24 25 26 27 28 29 30  Next >> [340]
41559 7-methylheptadecan-7-ol
42263 heptadecan-2-ol
42265 2-methyldodecan-1-ol
45056 (1S,2R,5R)-5-methyl-2-propan-2-yl-cyclohexan-1-ol
61056 2,6,8-trimethylnonan-4-ol
61060 (1R,2R,4S)-1,7,7-trimethylnorbornan-2-ol

internal high similarity DBLink | Rows returned: 382 3 4 5 6 7 Next >> 
BTB 12413 0.9231
RJC 00940 0.9231
JFD 01247 0.9231
NRB 02212 0.9231
BTB 14986 0.9231
BTB 14459 0.9231

active | Cluster 1300 | Additional Members: 1 | Rows returned: 0

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