UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-[(3R)-1,1-dioxothiolan-3-yl]pyrrolidin-3-one 1-[(3R)-1,1-dioxothiolan-3-yl]py…

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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) -0.84 1.57 -61.91 1 4 1 56 204.271 1 ↓
Mid Mid (pH 6-8) -0.84 -0.85 -14.26 0 4 0 54 203.263 1 ↓

Analogs

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Popular Name: 1-[(3S)-1,1-dioxothiolan-3-yl]pyrrolidin-3-one 1-[(3S)-1,1-dioxothiolan-3-yl]py…

Find On: PubMed — Wikipedia — Google

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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) -0.84 1.6 -62.55 1 4 1 56 204.271 1 ↓
Mid Mid (pH 6-8) -0.84 -0.85 -15.29 0 4 0 54 203.263 1 ↓

Parameters Provided:

ring.id = 551568
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 = 551568 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=551568&filter.purchasability=annotated

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