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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: (3R)-3-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]tetrahydrofuran-2-one (3R)-3-[4-(2,3-dichlorobenzoyl)p…

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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) 0.89 6.04 -17.62 0 5 0 50 343.21 2 ↓

Analogs

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Popular Name: (3S)-3-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]tetrahydrofuran-2-one (3S)-3-[4-(2,3-dichlorobenzoyl)p…

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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) 0.89 5.99 -14.43 0 5 0 50 343.21 2 ↓

Analogs

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Popular Name: (3S,5R)-3-[4-(4-chloro-2-fluoro-benzoyl)piperazin-1-yl]-5-methyl-tetrahydrofuran-2-one (3S,5R)-3-[4-(4-chloro-2-fluoro-…

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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) 0.51 6.23 -19.24 0 5 0 50 340.782 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,5S)-3-[4-(4-chloro-2-fluoro-benzoyl)piperazin-1-yl]-5-methyl-tetrahydrofuran-2-one (3S,5S)-3-[4-(4-chloro-2-fluoro-…

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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) 0.51 6.11 -19.59 0 5 0 50 340.782 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,5R)-3-[4-(4-chloro-2-fluoro-benzoyl)piperazin-1-yl]-5-methyl-tetrahydrofuran-2-one (3R,5R)-3-[4-(4-chloro-2-fluoro-…

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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) 0.51 6.18 -18.22 0 5 0 50 340.782 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,5S)-3-[4-(4-chloro-2-fluoro-benzoyl)piperazin-1-yl]-5-methyl-tetrahydrofuran-2-one (3R,5S)-3-[4-(4-chloro-2-fluoro-…

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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) 0.51 6.28 -18.73 0 5 0 50 340.782 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,5R)-3-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-5-methyl-tetrahydrofuran-2-one (3S,5R)-3-[4-(2,4-dichlorobenzoy…

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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) 1.02 6.64 -17.16 0 5 0 50 357.237 2 ↓
Mid Mid (pH 6-8) 1.02 8.97 -49.49 1 5 1 51 358.245 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,5S)-3-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-5-methyl-tetrahydrofuran-2-one (3S,5S)-3-[4-(2,4-dichlorobenzoy…

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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) 1.02 6.52 -17.48 0 5 0 50 357.237 2 ↓
Mid Mid (pH 6-8) 1.02 8.88 -49.65 1 5 1 51 358.245 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,5R)-3-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-5-methyl-tetrahydrofuran-2-one (3R,5R)-3-[4-(2,4-dichlorobenzoy…

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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) 1.02 6.59 -16.27 0 5 0 50 357.237 2 ↓
Mid Mid (pH 6-8) 1.02 8.91 -54.14 1 5 1 51 358.245 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,5S)-3-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-5-methyl-tetrahydrofuran-2-one (3R,5S)-3-[4-(2,4-dichlorobenzoy…

Find On: PubMed — Wikipedia — Google

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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) 1.02 6.69 -16.71 0 5 0 50 357.237 2 ↓
Mid Mid (pH 6-8) 1.02 8.97 -52.73 1 5 1 51 358.245 2 ↓

Parameters Provided:

ring.id = 33044
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 = 33044 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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