UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[(4S)-2,5-dioxospiro[imidazolidine-4,1'-indane]-1-yl]-N-[2-(3-fluorophenyl)ethyl]acetamide 2-[(4S)-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) 2.64 7.38 -18.69 2 6 0 79 381.407 5 ↓

Analogs

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Popular Name: 2-[(4R)-2,5-dioxospiro[imidazolidine-4,1'-indane]-1-yl]-N-[2-(3-fluorophenyl)ethyl]acetamide 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) 2.64 7.38 -16.73 2 6 0 79 381.407 5 ↓

Analogs

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Popular Name: N-[2-(4-chlorophenyl)ethyl]-2-[(4R)-2,5-diketospiro[imidazolidine-4,1'-indane]-1-yl]acetamide N-[2-(4-chlorophenyl)ethyl]-2-[(…

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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) 3.18 -3.09 -17.41 2 6 0 78 397.862 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(4-chlorophenyl)ethyl]-2-[(4S)-2,5-diketospiro[imidazolidine-4,1'-indane]-1-yl]acetamide N-[2-(4-chlorophenyl)ethyl]-2-[(…

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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) 3.18 -3.09 -17.36 2 6 0 78 397.862 5 ↓

Parameters Provided:

ring.id = 173348
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 = 173348 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=173348&filter.purchasability=annotated

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