UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

22788593
22788593
22806737
22806737
20713665
20713665

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Popular Name: (2Z)-4-methyl-8-(2-morpholinoethyl)-2-[(E)-3-phenylprop-2-enylidene]-7,9-dihydrofuro[2,3-f][1,3]benz (2Z)-4-methyl-8-(2-morpholinoeth…

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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) 3.86 7.01 -9.74 0 6 0 55 432.52 5 ↓
Mid Mid (pH 6-8) 3.86 9.28 -48.35 1 6 1 56 433.528 5 ↓

Analogs

20713665
20713665
20713737
20713737
22786925
22786925

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Popular Name: (2Z)-8-(2-morpholinoethyl)-2-[(E)-3-phenylprop-2-enylidene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3- (2Z)-8-(2-morpholinoethyl)-2-[(E…

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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) 3.48 6.38 -9.84 0 6 0 55 418.493 5 ↓
Mid Mid (pH 6-8) 3.48 8.65 -48.61 1 6 1 56 419.501 5 ↓

Parameters Provided:

ring.id = 561390
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 = 561390 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=561390&filter.purchasability=annotated

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