UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

3659093
3659093

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Popular Name: (5E)-3-(3-chlorophenyl)-5-[(2-methoxy-4-pyrrolidin-1-yl-phenyl)methylene]imidazolidine-2,4-dione (5E)-3-(3-chlorophenyl)-5-[(2-me…

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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) 3.44 7.85 -8.57 1 6 0 67 397.862 4 ↓

Analogs

3652736
3652736

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Popular Name: (5E)-3-(3-chlorophenyl)-5-[(2-fluoro-4-pyrrolidin-1-yl-phenyl)methylene]imidazolidine-2,4-dione (5E)-3-(3-chlorophenyl)-5-[(2-fl…

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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) 3.54 8.65 -7.46 1 5 0 58 385.826 3 ↓

Parameters Provided:

ring.id = 229685
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 = 229685 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=229685&filter.purchasability=annotated

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