UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

28541897
28541897

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Popular Name: (2Z)-4-methyl-2-[(E)-3-phenylprop-2-enylidene]-8-[2-(2-thienyl)ethyl]-7,9-dihydrofuro[2,3-f][1,3]ben (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) 5.68 11.42 -9.47 0 4 0 43 429.541 5 ↓
Lo Low (pH 4.5-6) 5.68 14.29 -50.29 1 4 1 44 430.549 5 ↓

Analogs

28541905
28541905
20663763
20663763
23127137
23127137

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Popular Name: (2Z)-2-[(E)-3-phenylprop-2-enylidene]-8-[2-(2-thienyl)ethyl]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3 (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) 5.31 10.79 -9.5 0 4 0 43 415.514 5 ↓
Lo Low (pH 4.5-6) 5.31 13.65 -50.57 1 4 1 44 416.522 5 ↓

Parameters Provided:

ring.id = 561395
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 = 561395 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=561395&filter.purchasability=annotated

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