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Compound InformationSONAR Target prediction
Name:

MENTHOL(-)

Unique Identifier:SPE01503134
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:136.106 g/mol
X log p:-0.347  (online calculus)
Lipinksi Failures0
TPSA0
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:1
Rotatable Bond Count:1
Canonical Smiles:CC(C)C1CCC(C)CC1O
Class:terpene
Source:Mentha piperita and other Mentha spp
Therapeutics:analgesic (topical), antipruritic agent
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: 205 nonactive as graph: single | with analogs [1] << Back 201 202 203 204 205
Species: 4932
Condition: YPT6
Replicates: 2
Raw OD Value: r im 0.5012±0.0292742
Normalized OD Score: sc h 0.9722±0.0223345
Z-Score: 0.1080±0.24089
p-Value: 0.865526
Z-Factor: -14.4363
Fitness Defect: 0.1444
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:20|A5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.70 Celcius
Date:2008-06-05 YYYY-MM-DD
Plate CH Control (+):0.041124999999999995±0.00110
Plate DMSO Control (-):0.5084750000000001±0.01236
Plate Z-Factor:0.9015
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DBLink | Rows returned: 2037[1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [340]
8184 undecan-1-ol
8193 dodecan-1-ol
8207 tridecan-1-ol
8209 tetradecan-1-ol
8221 octadecan-1-ol
8298 3,3,5-trimethylcyclohexan-1-ol

internal high similarity DBLink | Rows returned: 381 2 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 4541 | Additional Members: 2 | Rows returned: 0
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