UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

47671688
47671688
47671689
47671689
36828960
36828960
36828959
36828959
36829079
36829079

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Popular Name: (2R)-N-cyclopropyl-1-[(6-oxo-1H-pyridin-3-yl)sulfonyl]pyrrolidine-2-carboxamide (2R)-N-cyclopropyl-1-[(6-oxo-1H-…

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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) -0.29 1.64 -22.06 2 7 0 99 311.363 4 ↓
Hi High (pH 8-9.5) 0.16 -0.4 -54.37 1 7 -1 102 310.355 4 ↓

Analogs

47671688
47671688
47671689
47671689
36828960
36828960
36828959
36828959
36829079
36829079

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclopropyl-1-[(6-oxo-1H-pyridin-3-yl)sulfonyl]pyrrolidine-2-carboxamide (2S)-N-cyclopropyl-1-[(6-oxo-1H-…

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) -0.29 0.43 -15.46 2 7 0 99 311.363 4 ↓
Hi High (pH 8-9.5) 0.16 -1.16 -53.13 1 7 -1 102 310.355 4 ↓

Parameters Provided:

ring.id = 582517
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 = 582517 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=582517&filter.purchasability=annotated

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