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

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Popular Name: (1R,5S)-N-(2-methylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine (1R,5S)-N-(2-methylpyrimidin-4-y…

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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) 0.63 5.14 -45.11 3 4 1 54 219.312 2 ↓
Mid Mid (pH 6-8) 0.63 5.58 -83.47 4 4 2 56 220.32 2 ↓

Analogs

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Popular Name: (1R,5S)-N-methyl-N-(2-methylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine (1R,5S)-N-methyl-N-(2-methylpyri…

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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) 0.88 4.45 -37.57 2 4 1 46 233.339 2 ↓
Mid Mid (pH 6-8) 0.88 4.9 -81.88 3 4 2 47 234.347 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.25 5.35 -38.24 2 4 1 46 247.366 3 ↓
Mid Mid (pH 6-8) 1.25 5.8 -82.61 3 4 2 47 248.374 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.76 6.11 -38.36 2 4 1 46 261.393 4 ↓
Mid Mid (pH 6-8) 1.76 6.55 -83.23 3 4 2 47 262.401 4 ↓

Parameters Provided:

ring.id = 372145
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 = 372145 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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