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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)-2-[[4-(diethylamino)phenyl]methylene]-7-methyl-6-phenacyloxy-benzofuran-3-one (2Z)-2-[[4-(diethylamino)phenyl]…

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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) 5.64 15.75 -50.14 1 5 0 61 442.535 8 ↓
Mid Mid (pH 6-8) 5.64 15.64 -15.83 0 5 0 60 441.527 8 ↓

Analogs

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Popular Name: (2Z)-2-[[4-(diethylamino)phenyl]methylene]-4-methyl-6-phenacyloxy-benzofuran-3-one (2Z)-2-[[4-(diethylamino)phenyl]…

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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) 5.64 15.69 -52.28 1 5 0 61 442.535 8 ↓
Mid Mid (pH 6-8) 5.64 15.58 -15 0 5 0 60 441.527 8 ↓

Analogs

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Popular Name: (2Z)-2-[[4-(diethylamino)phenyl]methylene]-6-phenacyloxy-benzofuran-3-one (2Z)-2-[[4-(diethylamino)phenyl]…

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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) 5.27 15.05 -50 1 5 0 61 428.508 8 ↓
Mid Mid (pH 6-8) 5.27 14.94 -16.25 0 5 0 60 427.5 8 ↓

Analogs

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Popular Name: (2Z)-6-[2-(4-chlorophenyl)-2-oxo-ethoxy]-2-[[4-(diethylamino)phenyl]methylene]-7-methyl-benzofuran-3 (2Z)-6-[2-(4-chlorophenyl)-2-oxo…

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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) 6.32 16.26 -51.73 1 5 0 61 476.98 8 ↓
Mid Mid (pH 6-8) 6.32 16.15 -15.75 0 5 0 60 475.972 8 ↓

Analogs

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Popular Name: (2Z)-6-[2-(4-chlorophenyl)-2-oxo-ethoxy]-2-[[4-(diethylamino)phenyl]methylene]-4-methyl-benzofuran-3 (2Z)-6-[2-(4-chlorophenyl)-2-oxo…

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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) 6.32 16.19 -53.42 1 5 0 61 476.98 8 ↓
Mid Mid (pH 6-8) 6.32 16.08 -14.63 0 5 0 60 475.972 8 ↓

Analogs

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Popular Name: (2Z)-6-[2-(4-chlorophenyl)-2-oxo-ethoxy]-2-[[4-(diethylamino)phenyl]methylene]benzofuran-3-one (2Z)-6-[2-(4-chlorophenyl)-2-oxo…

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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) 5.95 15.56 -49.22 1 5 0 61 462.953 8 ↓
Mid Mid (pH 6-8) 5.95 15.45 -16.09 0 5 0 60 461.945 8 ↓

Analogs

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Popular Name: (2Z)-6-[2-(4-bromophenyl)-2-oxo-ethoxy]-2-[[4-(diethylamino)phenyl]methylene]-7-methyl-benzofuran-3- (2Z)-6-[2-(4-bromophenyl)-2-oxo-…

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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) 6.46 16.36 -51.74 1 5 0 61 521.431 8 ↓
Mid Mid (pH 6-8) 6.46 16.25 -15.68 0 5 0 60 520.423 8 ↓

Analogs

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Popular Name: (2Z)-6-[2-(4-bromophenyl)-2-oxo-ethoxy]-2-[[4-(diethylamino)phenyl]methylene]-4-methyl-benzofuran-3- (2Z)-6-[2-(4-bromophenyl)-2-oxo-…

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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) 6.46 16.3 -53.26 1 5 0 61 521.431 8 ↓
Mid Mid (pH 6-8) 6.46 16.2 -14.58 0 5 0 60 520.423 8 ↓

Analogs

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Popular Name: (2Z)-6-[2-(4-bromophenyl)-2-oxo-ethoxy]-2-[[4-(diethylamino)phenyl]methylene]benzofuran-3-one (2Z)-6-[2-(4-bromophenyl)-2-oxo-…

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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) 6.08 15.67 -49.1 1 5 0 61 507.404 8 ↓
Mid Mid (pH 6-8) 6.08 15.57 -16 0 5 0 60 506.396 8 ↓

Analogs

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Popular Name: (2Z)-2-[[4-(diethylamino)phenyl]methylene]-6-[2-(4-methoxyphenyl)-2-oxo-ethoxy]-7-methyl-benzofuran- (2Z)-2-[[4-(diethylamino)phenyl]…

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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) 5.70 15.04 -53.12 1 6 0 70 472.561 9 ↓
Mid Mid (pH 6-8) 5.70 14.94 -16.47 0 6 0 69 471.553 9 ↓

Analogs

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Popular Name: (2Z)-2-[[4-(diethylamino)phenyl]methylene]-6-[2-(4-methoxyphenyl)-2-oxo-ethoxy]-4-methyl-benzofuran- (2Z)-2-[[4-(diethylamino)phenyl]…

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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) 5.70 14.99 -54.47 1 6 0 70 472.561 9 ↓
Mid Mid (pH 6-8) 5.70 14.89 -15.48 0 6 0 69 471.553 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[[4-(diethylamino)phenyl]methylene]-6-[2-(4-methoxyphenyl)-2-oxo-ethoxy]benzofuran-3-one (2Z)-2-[[4-(diethylamino)phenyl]…

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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) 5.33 14.35 -52.88 1 6 0 70 458.534 9 ↓
Mid Mid (pH 6-8) 5.33 14.25 -16.82 0 6 0 69 457.526 9 ↓

Parameters Provided:

ring.id = 313646
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 = 313646 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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