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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 141 142 143 144 145 146 147 148 149 150  Next >> [205]
Species: 4932
Condition: GIM4
Replicates: 2
Raw OD Value: r im 0.7336±0.00487904
Normalized OD Score: sc h 0.9894±0.00246448
Z-Score: -0.4952±0.120764
p-Value: 0.621698
Z-Factor: -8.13353
Fitness Defect: 0.4753
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:20|A5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.80 Celcius
Date:2008-03-20 YYYY-MM-DD
Plate CH Control (+):0.040825±0.00126
Plate DMSO Control (-):0.7269749999999999±0.01466
Plate Z-Factor:0.9323
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DBLink | Rows returned: 2037[1] << Back 331 332 333 334 335 336 337 338 339 340 Next >> [340]
15973379 n/a
15973380 n/a
15974288 n/a
15975240 magnesium 2-ethylhexan-1-ol dichloride
15975918 magnesium 2-ethylhexan-1-olate
15976914 magnesium (1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexan-1-olate chloride

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 4541 | Additional Members: 2 | Rows returned: 0

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