UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

42433222
42433222
42433223
42433223
42434888
42434888
42434889
42434889

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Popular Name: 2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)acetamide 2-[(2R)-2-(hydroxymethyl)pyrroli…

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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) -0.54 0.97 -36.89 3 6 1 74 270.353 5 ↓
Hi High (pH 8-9.5) -0.54 -0.81 -10.61 2 6 0 73 269.345 5 ↓

Analogs

42433222
42433222
42433223
42433223

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Popular Name: 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)acetamide 2-[(2S)-2-(hydroxymethyl)pyrroli…

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) -0.54 1.46 -36.5 3 6 1 74 270.353 5 ↓
Hi High (pH 8-9.5) -0.54 -0.61 -11.52 2 6 0 73 269.345 5 ↓

Parameters Provided:

ring.id = 288951
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 = 288951 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=288951&filter.purchasability=annotated

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