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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: 2-(5-bromo-2-thienyl)-1-[(1R,4S,5R)-7-oxabicyclo[2.2.1]heptan-5-yl]ethanone 2-(5-bromo-2-thienyl)-1-[(1R,4S,…

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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) 2.98 6.97 -11.53 0 2 0 26 301.205 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-bromo-2-thienyl)-1-[(1R,4S,5S)-7-oxabicyclo[2.2.1]heptan-5-yl]ethanone 2-(5-bromo-2-thienyl)-1-[(1R,4S,…

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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) 2.98 6.88 -7.83 0 2 0 26 301.205 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R,4S,5R)-7-oxabicyclo[2.2.1]heptan-5-yl]-2-(2-thienyl)ethanone 1-[(1R,4S,5R)-7-oxabicyclo[2.2.1…

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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) 2.05 6.24 -11.37 0 2 0 26 222.309 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R,4S,5S)-7-oxabicyclo[2.2.1]heptan-5-yl]-2-(2-thienyl)ethanone 1-[(1R,4S,5S)-7-oxabicyclo[2.2.1…

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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) 2.05 6.15 -7.55 0 2 0 26 222.309 3 ↓

Analogs

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Popular Name: 2-(4-bromo-2-thienyl)-1-[(1R,4S,5R)-7-oxabicyclo[2.2.1]heptan-5-yl]ethanone 2-(4-bromo-2-thienyl)-1-[(1R,4S,…

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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) 2.79 6.85 -11.17 0 2 0 26 301.205 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-bromo-2-thienyl)-1-[(1R,4S,5S)-7-oxabicyclo[2.2.1]heptan-5-yl]ethanone 2-(4-bromo-2-thienyl)-1-[(1R,4S,…

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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) 2.79 6.76 -7.6 0 2 0 26 301.205 3 ↓

Analogs

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Popular Name: 2-(5-chloro-2-thienyl)-1-[(1R,4S,5R)-7-oxabicyclo[2.2.1]heptan-5-yl]ethanone 2-(5-chloro-2-thienyl)-1-[(1R,4S…

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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) 2.85 6.86 -11.47 0 2 0 26 256.754 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-chloro-2-thienyl)-1-[(1R,4S,5S)-7-oxabicyclo[2.2.1]heptan-5-yl]ethanone 2-(5-chloro-2-thienyl)-1-[(1R,4S…

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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) 2.85 6.78 -7.77 0 2 0 26 256.754 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-bromo-2-thienyl)-1-[(1R,4S,5R)-7-oxabicyclo[2.2.1]heptan-5-yl]ethanone 2-(3-bromo-2-thienyl)-1-[(1R,4S,…

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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) 2.79 6.79 -10.3 0 2 0 26 301.205 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-bromo-2-thienyl)-1-[(1R,4S,5S)-7-oxabicyclo[2.2.1]heptan-5-yl]ethanone 2-(3-bromo-2-thienyl)-1-[(1R,4S,…

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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) 2.79 6.7 -6.87 0 2 0 26 301.205 3 ↓

Parameters Provided:

ring.id = 509138
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 = 509138 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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