UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (5R)-5-(1,3-benzodioxol-5-yl)-3,5-dimethyl-imidazolidine-2,4-dione (5R)-5-(1,3-benzodioxol-5-yl)-3,…

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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) 1.09 2.28 -9.38 1 6 0 68 248.238 1 ↓

Analogs

41583565
41583565

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Popular Name: (5S)-5-(1,3-benzodioxol-5-yl)-5-ethyl-imidazolidine-2,4-dione (5S)-5-(1,3-benzodioxol-5-yl)-5-…

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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) 1.35 1.01 -10.6 2 6 0 77 248.238 2 ↓
Hi High (pH 8-9.5) 1.54 -1.65 -44.92 1 6 -1 83 247.23 2 ↓

Analogs

41583564
41583564

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Popular Name: (5R)-5-(1,3-benzodioxol-5-yl)-5-ethyl-imidazolidine-2,4-dione (5R)-5-(1,3-benzodioxol-5-yl)-5-…

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) 1.35 0.91 -10.95 2 6 0 77 248.238 2 ↓
Hi High (pH 8-9.5) 1.54 -1.75 -45.75 1 6 -1 83 247.23 2 ↓

Parameters Provided:

ring.id = 35570
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 = 35570 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=35570&filter.purchasability=annotated

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