UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36875872
36875872
12782886
12782886
12782888
12782888
2642656
2642656

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Popular Name: (5S)-3-[2-(2,5-diethylphenyl)-2-oxo-ethyl]spiro[imidazolidine-5,1'-indane]-2,4-dione (5S)-3-[2-(2,5-diethylphenyl)-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) 4.00 10.78 -11.65 1 5 0 66 376.456 5 ↓

Analogs

36875871
36875871
12782886
12782886
12782888
12782888

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-3-[2-(2,5-diethylphenyl)-2-oxo-ethyl]spiro[imidazolidine-5,1'-indane]-2,4-dione (5R)-3-[2-(2,5-diethylphenyl)-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) 4.00 10.78 -13.37 1 5 0 66 376.456 5 ↓

Analogs

36875874
36875874

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Popular Name: (5S)-3-[2-(4-ethoxyphenyl)-2-oxo-ethyl]spiro[imidazolidine-5,1'-indane]-2,4-dione (5S)-3-[2-(4-ethoxyphenyl)-2-oxo…

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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) 2.67 8.18 -13.68 1 6 0 76 364.401 5 ↓

Analogs

36875873
36875873

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-3-[2-(4-ethoxyphenyl)-2-oxo-ethyl]spiro[imidazolidine-5,1'-indane]-2,4-dione (5R)-3-[2-(4-ethoxyphenyl)-2-oxo…

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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) 2.67 8.18 -15.66 1 6 0 76 364.401 5 ↓

Parameters Provided:

ring.id = 120668
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 = 120668 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=120668&filter.purchasability=annotated

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