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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)-3-(4-ethyl-4-methyl-1-piperidyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine [(1R,5S)-3-(4-ethyl-4-methyl-1-p…

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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) 1.91 7.42 -29.79 3 3 1 34 280.48 3 ↓
Mid Mid (pH 6-8) 1.91 7.41 -104.54 4 3 2 35 281.488 3 ↓
Lo Low (pH 4.5-6) 1.91 7.56 -211.62 5 3 3 37 282.496 3 ↓

Analogs

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Popular Name: [(1R,5S)-3-(4,4-diethyl-1-piperidyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine [(1R,5S)-3-(4,4-diethyl-1-piperi…

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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) 2.24 7.87 -29.66 3 3 1 34 294.507 4 ↓
Mid Mid (pH 6-8) 2.24 7.87 -105.68 4 3 2 35 295.515 4 ↓
Lo Low (pH 4.5-6) 2.24 8.03 -214.01 5 3 3 37 296.523 4 ↓

Analogs

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Popular Name: 2-[1-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-4-piperidyl]ethanamine 2-[1-[(1R,5S)-8-methyl-8-azabicy…

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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) 1.17 4.39 -94.48 4 3 2 35 253.434 3 ↓
Mid Mid (pH 6-8) 1.17 6.74 -166.06 5 3 3 37 254.442 3 ↓
Mid Mid (pH 6-8) 1.17 4.54 -80.68 4 3 2 35 253.434 3 ↓

Analogs

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

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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) 2.15 6.24 -90.59 3 3 2 24 267.461 4 ↓
Mid Mid (pH 6-8) 2.15 8.6 -162.57 4 3 3 25 268.469 4 ↓
Mid Mid (pH 6-8) 2.15 6.39 -76.2 3 3 2 24 267.461 4 ↓

Parameters Provided:

ring.id = 137577
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 = 137577 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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