UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: [(3R)-3-hydroxypyrrolidin-1-yl]-(4H-quinolizin-1-yl)methanone [(3R)-3-hydroxypyrrolidin-1-yl]-…

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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) 0.32 3.82 -15.89 1 4 0 45 244.294 1 ↓

Analogs

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Popular Name: [(3S)-3-hydroxypyrrolidin-1-yl]-(4H-quinolizin-1-yl)methanone [(3S)-3-hydroxypyrrolidin-1-yl]-…

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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) 0.32 3.77 -16.43 1 4 0 45 244.294 1 ↓

Analogs

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Popular Name: [(3R)-3-ethoxypyrrolidin-1-yl]-(4H-quinolizin-1-yl)methanone [(3R)-3-ethoxypyrrolidin-1-yl]-(…

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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) 1.31 7.17 -15.47 0 4 0 34 272.348 3 ↓

Analogs

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Popular Name: [(3S)-3-ethoxypyrrolidin-1-yl]-(4H-quinolizin-1-yl)methanone [(3S)-3-ethoxypyrrolidin-1-yl]-(…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.31 7.1 -16.19 0 4 0 34 272.348 3 ↓

Parameters Provided:

ring.id = 197924
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 = 197924 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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