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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) 5.97 16.93 -50.6 1 5 0 61 476.98 8 ↓
Mid Mid (pH 6-8) 5.97 16.81 -11.43 0 5 0 60 475.972 8 ↓

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) 5.97 16.93 -52.24 1 5 0 61 476.98 8 ↓
Mid Mid (pH 6-8) 5.97 16.81 -11.58 0 5 0 60 475.972 8 ↓

Analogs

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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) 5.97 16.93 -49.69 1 5 0 61 476.98 8 ↓
Mid Mid (pH 6-8) 5.97 16.83 -11.36 0 5 0 60 475.972 8 ↓

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) 5.97 16.93 -48.66 1 5 0 61 476.98 8 ↓
Mid Mid (pH 6-8) 5.97 16.83 -11.58 0 5 0 60 475.972 8 ↓

Analogs

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Popular Name: [(2Z)-2-[[4-(diethylamino)phenyl]methylene]-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) 5.59 16.28 -50.48 1 5 0 61 462.953 8 ↓
Mid Mid (pH 6-8) 5.59 16.18 -11.38 0 5 0 60 461.945 8 ↓

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) 5.59 16.28 -49.48 1 5 0 61 462.953 8 ↓
Mid Mid (pH 6-8) 5.59 16.18 -11.59 0 5 0 60 461.945 8 ↓

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) 5.59 16.48 -52.96 1 5 0 61 442.535 8 ↓
Mid Mid (pH 6-8) 5.59 16.38 -12.81 0 5 0 60 441.527 8 ↓

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) 5.59 16.49 -50.53 1 5 0 61 442.535 8 ↓
Mid Mid (pH 6-8) 5.59 16.39 -12.75 0 5 0 60 441.527 8 ↓

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…

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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) 5.21 15.84 -51.33 1 5 0 61 428.508 8 ↓
Mid Mid (pH 6-8) 5.21 15.73 -12.8 0 5 0 60 427.5 8 ↓

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) 6.26 16.98 -54.61 1 5 0 61 476.98 8 ↓
Mid Mid (pH 6-8) 6.26 16.9 -13.54 0 5 0 60 475.972 8 ↓

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) 6.26 17.01 -50.43 1 5 0 61 476.98 8 ↓
Mid Mid (pH 6-8) 6.26 16.91 -13.46 0 5 0 60 475.972 8 ↓

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) 5.89 16.38 -54.12 1 5 0 61 462.953 8 ↓
Mid Mid (pH 6-8) 5.89 16.26 -13.45 0 5 0 60 461.945 8 ↓

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) 5.64 15.76 -56.4 1 6 0 70 472.561 9 ↓
Mid Mid (pH 6-8) 5.64 15.68 -14.64 0 6 0 69 471.553 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…

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) 5.64 15.79 -51.76 1 6 0 70 472.561 9 ↓
Mid Mid (pH 6-8) 5.64 15.69 -14.56 0 6 0 69 471.553 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) 5.27 15.16 -55.45 1 6 0 70 458.534 9 ↓
Mid Mid (pH 6-8) 5.27 15.03 -14.57 0 6 0 69 457.526 9 ↓

Parameters Provided:

ring.id = 310046
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 = 310046 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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