UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12442669
12442669
12442511
12442511

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Popular Name: (2Z)-8-cyclohexyl-4-methyl-2-(2-pyridylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-cyclohexyl-4-methyl-2-(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) 3.96 8.32 -9.86 0 5 0 56 376.456 2 ↓
Mid Mid (pH 6-8) 3.96 11.08 -42.01 1 5 1 57 377.464 2 ↓

Analogs

9423749
9423749
13692664
13692664
13723959
13723959

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Popular Name: (2E)-8-cyclohexyl-2-(2-pyridylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2E)-8-cyclohexyl-2-(2-pyridylme…

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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) 3.58 8.07 -10.14 0 5 0 56 362.429 2 ↓
Lo Low (pH 4.5-6) 3.58 11.06 -45.03 1 5 1 57 363.437 2 ↓

Parameters Provided:

ring.id = 562039
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 = 562039 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=562039&filter.purchasability=annotated

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