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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: (2Z)-6-cinnamyloxy-2-[(2,4-dimethoxyphenyl)methylene]benzofuran-3-one (2Z)-6-cinnamyloxy-2-[(2,4-dimet…

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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) 5.66 11.69 -10.99 0 5 0 58 414.457 7 ↓

Analogs

39709090
39709090
8764777
8764777
8823832
8823832
9575765
9575765

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Popular Name: (2Z)-6-cinnamyloxy-2-[(4-ethoxyphenyl)methylene]benzofuran-3-one (2Z)-6-cinnamyloxy-2-[(4-ethoxyp…

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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) 6.05 13.24 -10.45 0 4 0 49 398.458 7 ↓

Analogs

39709090
39709090
8764777
8764777
8823832
8823832
9575765
9575765

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Popular Name: (2Z)-2-benzylidene-6-cinnamyloxy-benzofuran-3-one (2Z)-2-benzylidene-6-cinnamyloxy…

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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) 5.62 13.01 -9.3 0 3 0 39 354.405 5 ↓

Analogs

39754285
39754285
39754305
39754305

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Popular Name: (2Z)-6-cinnamyloxy-2-[(4-fluorophenyl)methylene]benzofuran-3-one (2Z)-6-cinnamyloxy-2-[(4-fluorop…

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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) 5.78 13.07 -9.34 0 3 0 39 372.395 5 ↓

Analogs

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Popular Name: (2Z)-6-[(E)-cinnamyl]oxy-2-[[4-(diethylamino)phenyl]methylene]-7-methyl-benzofuran-3-one (2Z)-6-[(E)-cinnamyl]oxy-2-[[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) 6.85 16.15 -46.77 1 4 0 44 440.563 8 ↓
Mid Mid (pH 6-8) 6.85 16.04 -10.19 0 4 0 43 439.555 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-6-[(E)-cinnamyl]oxy-2-[[4-(diethylamino)phenyl]methylene]-4-methyl-benzofuran-3-one (2Z)-6-[(E)-cinnamyl]oxy-2-[[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) 6.85 16.06 -48.1 1 4 0 44 440.563 8 ↓
Mid Mid (pH 6-8) 6.85 15.95 -9.69 0 4 0 43 439.555 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-6-[(E)-cinnamyl]oxy-2-[[4-(diethylamino)phenyl]methylene]benzofuran-3-one (2Z)-6-[(E)-cinnamyl]oxy-2-[[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) 6.47 15.42 -45.93 1 4 0 44 426.536 8 ↓
Mid Mid (pH 6-8) 6.47 15.31 -10.15 0 4 0 43 425.528 8 ↓

Parameters Provided:

ring.id = 225077
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 = 225077 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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