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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)-N-(3-imidazol-1-ylpropyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine (1R,5S)-N-(3-imidazol-1-ylpropyl…

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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) 0.85 5.73 -42.54 2 4 1 38 249.382 5 ↓
Mid Mid (pH 6-8) 0.85 8.71 -171.47 4 4 3 40 251.398 5 ↓
Mid Mid (pH 6-8) 0.85 6.92 -46.9 2 4 1 34 249.382 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5S)-N-ethyl-N-(3-imidazol-1-ylpropyl)-8-azabicyclo[3.2.1]octan-3-amine (1R,5S)-N-ethyl-N-(3-imidazol-1-…

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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) 1.22 8.6 -41.64 2 4 1 38 263.409 6 ↓
Mid Mid (pH 6-8) 1.22 9.36 -172.11 4 4 3 40 265.425 6 ↓
Mid Mid (pH 6-8) 1.22 7.57 -40.44 2 4 1 34 263.409 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5S)-N-(3-imidazol-1-ylpropyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (1R,5S)-N-(3-imidazol-1-ylpropyl…

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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) 1.73 9.3 -41.75 2 4 1 38 277.436 7 ↓
Mid Mid (pH 6-8) 1.73 8.32 -40.84 2 4 1 34 277.436 7 ↓
Mid Mid (pH 6-8) 1.73 9.59 -111.7 3 4 2 39 278.444 7 ↓

Parameters Provided:

ring.id = 551501
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 = 551501 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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