UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

38730023
38730023
38733792
38733792
38733794
38733794
40561914
40561914
40561916
40561916

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Popular Name: (1R)-2-benzyl-7-ethyl-1-(4-pyridyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1R)-2-benzyl-7-ethyl-1-(4-pyrid…

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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) 3.84 12.28 -10.84 0 5 0 63 396.446 4 ↓

Analogs

38733792
38733792
38733794
38733794
40561914
40561914
40561916
40561916
38730021
38730021

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-benzyl-7-ethyl-1-(4-pyridyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1S)-2-benzyl-7-ethyl-1-(4-pyrid…

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) 3.84 11.37 -9.79 0 5 0 63 396.446 4 ↓

Parameters Provided:

ring.id = 597628
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 = 597628 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=597628&filter.purchasability=annotated

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