UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12442578
12442578
12442513
12442513
12442511
12442511

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

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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) 6.30 13.11 -10.02 0 4 0 43 437.539 6 ↓
Lo Low (pH 4.5-6) 6.30 15.96 -50.71 1 4 1 44 438.547 6 ↓

Analogs

12442614
12442614
12442616
12442616
13692898
13692898

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

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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) 5.93 12.47 -10.12 0 4 0 43 423.512 6 ↓
Lo Low (pH 4.5-6) 5.93 15.32 -51.03 1 4 1 44 424.52 6 ↓

Parameters Provided:

ring.id = 561339
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 = 561339 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=561339&filter.purchasability=annotated

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