UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

14228696
14228696
14228700
14228700
14228703
14228703

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4R)-2,5-dioxospiro[imidazolidine-4,1'-indane]-1-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-methoxye 2-[(4R)-2,5-dioxospiro[imidazoli…

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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) -0.05 3.45 -24.2 1 9 0 113 435.502 6 ↓

Analogs

14228700
14228700
14228703
14228703
14228693
14228693

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4R)-2,5-dioxospiro[imidazolidine-4,1'-indane]-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methoxye 2-[(4R)-2,5-dioxospiro[imidazoli…

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) -0.05 3.76 -24.56 1 9 0 113 435.502 6 ↓

Analogs

14228703
14228703
14228693
14228693
14228696
14228696

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4S)-2,5-dioxospiro[imidazolidine-4,1'-indane]-1-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-methoxye 2-[(4S)-2,5-dioxospiro[imidazoli…

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) -0.05 3.45 -22.97 1 9 0 113 435.502 6 ↓

Analogs

14228693
14228693
14228696
14228696
14228700
14228700

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4S)-2,5-dioxospiro[imidazolidine-4,1'-indane]-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methoxye 2-[(4S)-2,5-dioxospiro[imidazoli…

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) -0.05 3.51 -25.54 1 9 0 113 435.502 6 ↓

Parameters Provided:

ring.id = 233362
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 = 233362 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=233362&filter.purchasability=annotated

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