UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12442513
12442513
12442511
12442511
12442578
12442578

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Popular Name: (2Z)-8-cyclohexyl-4-methyl-2-[(E)-3-phenylprop-2-enylidene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3- (2Z)-8-cyclohexyl-4-methyl-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) 5.89 10.99 -8.2 0 4 0 43 401.506 3 ↓
Mid Mid (pH 6-8) 5.89 13.77 -43.73 1 4 1 44 402.514 3 ↓

Analogs

12442504
12442504

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

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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) 5.51 10.1 -8.68 0 4 0 43 387.479 3 ↓
Mid Mid (pH 6-8) 5.51 13.08 -44.32 1 4 1 44 388.487 3 ↓

Parameters Provided:

ring.id = 561357
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 = 561357 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=561357&filter.purchasability=annotated

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