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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
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Analogs

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Popular Name: (1R,5S)-8-cyclohexyl-8-azabicyclo[3.2.1]octan-3-ol (1R,5S)-8-cyclohexyl-8-azabicycl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.38 4.99 -29.77 2 2 1 25 210.341 1 ↓

Analogs

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Popular Name: 2-[(1R,5S)-8-cyclohexyl-8-azabicyclo[3.2.1]octan-3-yl]acetonitrile 2-[(1R,5S)-8-cyclohexyl-8-azabic…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.04 8.78 -40.09 1 2 1 28 233.379 2 ↓

Analogs

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Popular Name: (1R,5S)-8-[(1R,2S,4S)-2,4-dimethylcyclohexyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine (1R,5S)-8-[(1R,2S,4S)-2,4-dimeth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.42 9.16 -100.22 3 2 2 21 266.473 3 ↓
Mid Mid (pH 6-8) 3.42 7.99 -28.03 2 2 1 16 265.465 3 ↓
Mid Mid (pH 6-8) 3.42 7.46 -36.19 2 2 1 20 265.465 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5S)-8-[(1R,2S,4S)-2,4-dimethylcyclohexyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (1R,5S)-8-[(1R,2S,4S)-2,4-dimeth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.93 9.92 -102.19 3 2 2 21 280.5 4 ↓
Mid Mid (pH 6-8) 3.93 8.74 -28.09 2 2 1 16 279.492 4 ↓
Mid Mid (pH 6-8) 3.93 8.22 -37.03 2 2 1 20 279.492 4 ↓

Parameters Provided:

ring.id = 137599
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 137599 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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