UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2Z)-8-(1,3-benzodioxol-5-ylmethyl)-2-(2-furylmethylene)-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxa (2Z)-8-(1,3-benzodioxol-5-ylmeth…

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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) 3.77 7.64 -13.85 0 7 0 74 417.417 3 ↓

Analogs

9054134
9054134
13692149
13692149

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Popular Name: (2Z)-8-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(5-methyl-2-furyl)methylene]-7,9-dihydrofuro[2,3-f][ (2Z)-8-(1,3-benzodioxol-5-ylmeth…

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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) 3.99 8.46 -13.95 0 7 0 74 431.444 3 ↓

Analogs

9054134
9054134
13733817
13733817

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Popular Name: (2Z)-8-(1,3-benzodioxol-5-ylmethyl)-2-[(5-methyl-2-furyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzo (2Z)-8-(1,3-benzodioxol-5-ylmeth…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.62 7.82 -14.02 0 7 0 74 417.417 3 ↓

Parameters Provided:

ring.id = 560519
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 = 560519 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=560519&filter.purchasability=annotated

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