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

Analogs

25388965
25388965
25388972
25388972
25464466
25464466
25464471
25464471

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclopropyl-1-(2,3-difluorophenyl)sulfonyl-pyrrolidine-2-carboxamide (2R)-N-cyclopropyl-1-(2,3-difluo…

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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) 1.34 4.76 -19.79 1 5 0 66 330.356 4 ↓

Analogs

25464466
25464466
25464471
25464471
25465129
25465129
25465133
25465133

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclopropyl-1-(2,3-difluorophenyl)sulfonyl-pyrrolidine-2-carboxamide (2S)-N-cyclopropyl-1-(2,3-difluo…

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) 1.34 4.19 -20.39 1 5 0 66 330.356 4 ↓

Parameters Provided:

ring.id = 180577
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 = 180577 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=180577&filter.purchasability=annotated

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