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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.60 5.61 -78.3 3 3 2 24 253.434 5 ↓
Mid Mid (pH 6-8) 1.60 8.09 -179.11 4 3 3 25 254.442 5 ↓
Mid Mid (pH 6-8) 1.60 6.82 -101.82 3 3 2 21 253.434 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.97 6.47 -84.55 3 3 2 24 267.461 6 ↓
Mid Mid (pH 6-8) 1.97 8.47 -179.37 4 3 3 25 268.469 6 ↓
Mid Mid (pH 6-8) 1.97 7.19 -101.3 3 3 2 21 267.461 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.48 9.19 -83.31 3 3 2 24 281.488 7 ↓
Mid Mid (pH 6-8) 2.48 8.22 -99.24 3 3 2 21 281.488 7 ↓
Mid Mid (pH 6-8) 2.48 9.5 -183.2 4 3 3 25 282.496 7 ↓

Parameters Provided:

ring.id = 552163
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 = 552163 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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