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

Analogs

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Popular Name: [(3R)-3-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]quinuclidin-3-yl]methanamine [(3R)-3-[(3R)-3-pyrrolidin-1-ylp…

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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) 0.42 1.92 -94.33 4 4 2 39 280.46 3 ↓
Hi High (pH 8-9.5) 0.42 -0.49 -43.75 3 4 1 37 279.452 3 ↓
Mid Mid (pH 6-8) 0.42 5.25 -83.47 4 4 2 38 280.46 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-3-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]quinuclidin-3-yl]methanamine [(3R)-3-[(3S)-3-pyrrolidin-1-ylp…

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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) 0.42 2.9 -110.87 4 4 2 39 280.46 3 ↓
Hi High (pH 8-9.5) 0.42 0.54 -44.18 3 4 1 37 279.452 3 ↓
Mid Mid (pH 6-8) 0.42 5.32 -196.98 5 4 3 40 281.468 3 ↓

Parameters Provided:

ring.id = 325611
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 = 325611 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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