UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41584057
41584057
41584195
41584195

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Popular Name: (2Z)-6-hydroxy-4-methyl-2-(2-pyridylmethylene)-7-(pyrrolidin-1-ylmethyl)benzofuran-3-one (2Z)-6-hydroxy-4-methyl-2-(2-pyr…

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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) 2.54 8.01 -39.13 2 5 1 68 337.399 3 ↓
Mid Mid (pH 6-8) 2.54 8.78 -28.76 1 5 0 71 336.391 3 ↓

Analogs

41584080
41584080
41584223
41584223

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Popular Name: (2Z)-6-hydroxy-2-(2-pyridylmethylene)-7-(pyrrolidin-1-ylmethyl)benzofuran-3-one (2Z)-6-hydroxy-2-(2-pyridylmethy…

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) 2.16 7.36 -39.43 2 5 1 68 323.372 3 ↓
Mid Mid (pH 6-8) 2.16 8.12 -28.85 1 5 0 71 322.364 3 ↓

Parameters Provided:

ring.id = 538051
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 = 538051 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=538051&filter.purchasability=annotated

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