UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

8979462
8979462

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Popular Name: N-(2-methyl-1,3-dioxo-isoindolin-5-yl)-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide N-(2-methyl-1,3-dioxo-isoindolin…

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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) 2.46 -3.92 -22.39 1 8 0 105 427.482 4 ↓

Analogs

8979459
8979459

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Popular Name: N-(2-methyl-1,3-dioxo-isoindolin-5-yl)-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide N-(2-methyl-1,3-dioxo-isoindolin…

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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) 2.46 -4.29 -26.91 1 8 0 105 427.482 4 ↓

Analogs

8979480
8979480

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1,3-dioxoisoindolin-5-yl)-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide N-(1,3-dioxoisoindolin-5-yl)-1-(…

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) 2.39 -6.27 -27.22 2 8 0 116 413.455 4 ↓

Analogs

8979478
8979478

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1,3-dioxoisoindolin-5-yl)-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide N-(1,3-dioxoisoindolin-5-yl)-1-(…

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) 2.39 -6.42 -21.57 2 8 0 116 413.455 4 ↓

Parameters Provided:

ring.id = 6067
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 = 6067 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=6067&filter.purchasability=annotated

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