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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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Popular Name: (2Z)-8-(2-furylmethyl)-4-methyl-2-(2-thienylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-(2-furylmethyl)-4-methyl-…

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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) 3.78 7.4 -10.24 0 5 0 56 379.437 3 ↓
Lo Low (pH 4.5-6) 3.78 10.25 -47.48 1 5 1 57 380.445 3 ↓

Analogs

13691903
13691903

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Popular Name: (2Z)-8-(2-furylmethyl)-4-methyl-2-[(3-methyl-2-thienyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzoxa (2Z)-8-(2-furylmethyl)-4-methyl-…

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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) 4.16 8.01 -10.23 0 5 0 56 393.464 3 ↓
Lo Low (pH 4.5-6) 4.16 10.85 -47.39 1 5 1 57 394.472 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-(2-furylmethyl)-2-[(3-methyl-2-thienyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-(2-furylmethyl)-2-[(3-met…

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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) 3.78 7.35 -10.41 0 5 0 56 379.437 3 ↓
Lo Low (pH 4.5-6) 3.78 10.2 -47.74 1 5 1 57 380.445 3 ↓

Parameters Provided:

ring.id = 559982
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 = 559982 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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