UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41584341
41584341

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Popular Name: (2Z)-6-hydroxy-4-methyl-7-(morpholinomethyl)-2-(2-pyridylmethylene)benzofuran-3-one (2Z)-6-hydroxy-4-methyl-7-(morph…

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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) 1.98 4.3 -11.54 1 6 0 76 352.39 3 ↓
Hi High (pH 8-9.5) 1.98 4.88 -46.03 0 6 -1 79 351.382 3 ↓
Lo Low (pH 4.5-6) 1.98 6.6 -41.05 2 6 1 77 353.398 3 ↓

Analogs

41584347
41584347

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Popular Name: (2Z)-6-hydroxy-7-(morpholinomethyl)-2-(2-pyridylmethylene)benzofuran-3-one (2Z)-6-hydroxy-7-(morpholinometh…

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) 1.61 3.66 -11.56 1 6 0 76 338.363 3 ↓
Hi High (pH 8-9.5) 1.61 4.23 -45.04 0 6 -1 79 337.355 3 ↓
Lo Low (pH 4.5-6) 1.61 5.96 -41.4 2 6 1 77 339.371 3 ↓

Parameters Provided:

ring.id = 538010
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 = 538010 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=538010&filter.purchasability=annotated

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