UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41564742
41564742
37038539
37038539
37038904
37038904
37039072
37039072
37039073
37039073

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Popular Name: 2-furyl-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone 2-furyl-[(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) 1.19 6.22 -41.35 1 4 1 38 235.307 2 ↓

Analogs

37038539
37038539
37038904
37038904
37039072
37039072
37039073
37039073
3987056
3987056

Draw Identity 99% 90% 80% 70%

Popular Name: 2-furyl-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone 2-furyl-[(3R)-3-pyrrolidin-1-ylp…

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) 1.19 6.33 -41.28 1 4 1 38 235.307 2 ↓

Parameters Provided:

ring.id = 547968
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 = 547968 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=547968&filter.purchasability=annotated

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