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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-3-oxo-benzofuran-6-yl] [(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) 5.38 14.88 -52.13 1 7 0 87 481.956 9 ↓
Mid Mid (pH 6-8) 5.38 14.77 -14.03 0 7 0 86 480.948 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2Z)-2-[[4-(diethylamino)phenyl]methylene]-4-methyl-3-oxo-benzofuran-6-yl] [(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) 5.38 14.88 -50.96 1 7 0 87 481.956 9 ↓
Mid Mid (pH 6-8) 5.38 14.78 -13.96 0 7 0 86 480.948 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 5.01 14.23 -51.97 1 7 0 87 467.929 9 ↓
Mid Mid (pH 6-8) 5.01 14.13 -13.92 0 7 0 86 466.921 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 4.76 12.35 -54.94 1 8 0 96 477.537 10 ↓
Mid Mid (pH 6-8) 4.76 12.27 -14.66 0 8 0 95 476.529 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 4.76 12.38 -54.23 1 8 0 96 477.537 10 ↓
Mid Mid (pH 6-8) 4.76 12.27 -14.56 0 8 0 95 476.529 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 4.38 11.74 -55.24 1 8 0 96 463.51 10 ↓
Mid Mid (pH 6-8) 4.38 11.62 -14.63 0 8 0 95 462.502 10 ↓

Parameters Provided:

ring.id = 310203
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 = 310203 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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