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

Analogs

14248383
14248383
14249006
14249006
15263096
15263096
21323172
21323172

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Popular Name: (4E)-2-(3,4-diethoxyphenyl)-4-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylene]oxazol-5-one (4E)-2-(3,4-diethoxyphenyl)-4-[(…

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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) 3.20 7.69 -16.51 0 8 0 89 425.437 7 ↓

Analogs

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Popular Name: (4Z)-4-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylene]-2-(o-tolyl)oxazol-5-one (4Z)-4-[(5-methoxy-2,3-dihydro-1…

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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) 3.21 8.99 -12.25 0 6 0 71 351.358 3 ↓

Analogs

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Popular Name: (4Z)-2-[4-(difluoromethoxy)phenyl]-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylene)oxazol-5-one (4Z)-2-[4-(difluoromethoxy)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) 3.44 7.55 -11.94 0 6 0 71 373.311 4 ↓

Analogs

14249006
14249006
15263096
15263096
15263538
15263538
21323172
21323172
22751665
22751665

Draw Identity 99% 90% 80% 70%

Popular Name: (4Z)-2-(3,4-diethoxyphenyl)-4-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylene]oxazol-5-one (4Z)-2-(3,4-diethoxyphenyl)-4-[(…

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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) 3.20 8.9 -14.29 0 8 0 89 425.437 7 ↓

Analogs

15263096
15263096
15263538
15263538
21323172
21323172
22751665
22751665
14248383
14248383

Draw Identity 99% 90% 80% 70%

Popular Name: (4Z)-4-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylene]-2-(3,4,5-trimethoxyphenyl)oxazol-5-on (4Z)-4-[(5-methoxy-2,3-dihydro-1…

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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) 2.44 6.98 -14.62 0 9 0 99 427.409 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4E)-2-(3,5-difluorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylene)oxazol-5-one (4E)-2-(3,5-difluorophenyl)-4-(2…

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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) 3.08 6.85 -8.92 0 5 0 62 343.285 2 ↓

Parameters Provided:

ring.id = 121829
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 = 121829 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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