UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

16594466
16594466
25435351
25435351
25435353
25435353
36676786
36676786
36676787
36676787

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Popular Name: 2-[[2-[(4R)-2',5'-dioxospiro[chroman-4,4'-imidazolidine]-1'-yl]acetyl]-methyl-amino]-N-(p-tolyl)acet 2-[[2-[(4R)-2',5'-dioxospiro[chr…

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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) 1.94 6.6 -23.76 2 9 0 108 436.468 5 ↓

Analogs

25435351
25435351
25435353
25435353
36676786
36676786
36676787
36676787
16594465
16594465

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[2-[(4S)-2',5'-dioxospiro[chroman-4,4'-imidazolidine]-1'-yl]acetyl]-methyl-amino]-N-(p-tolyl)acet 2-[[2-[(4S)-2',5'-dioxospiro[chr…

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) 1.94 6.88 -22.97 2 9 0 108 436.468 5 ↓

Parameters Provided:

ring.id = 258922
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 = 258922 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=258922&filter.purchasability=annotated

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