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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: (3S,5R)-5-methyl-3-(3-pyrazol-1-ylazetidin-1-yl)tetrahydrofuran-2-one (3S,5R)-5-methyl-3-(3-pyrazol-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) -0.79 2.63 -13.88 0 5 0 47 221.26 2 ↓
Mid Mid (pH 6-8) -0.79 5.71 -51.39 1 5 1 49 222.268 2 ↓

Analogs

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Popular Name: (3S,5S)-5-methyl-3-(3-pyrazol-1-ylazetidin-1-yl)tetrahydrofuran-2-one (3S,5S)-5-methyl-3-(3-pyrazol-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) -0.79 2.69 -14.79 0 5 0 47 221.26 2 ↓
Mid Mid (pH 6-8) -0.79 5.63 -52.48 1 5 1 49 222.268 2 ↓

Analogs

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Popular Name: (3R,5R)-5-methyl-3-(3-pyrazol-1-ylazetidin-1-yl)tetrahydrofuran-2-one (3R,5R)-5-methyl-3-(3-pyrazol-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) -0.79 2.54 -13.15 0 5 0 47 221.26 2 ↓
Mid Mid (pH 6-8) -0.79 5.62 -52.33 1 5 1 49 222.268 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,5S)-5-methyl-3-(3-pyrazol-1-ylazetidin-1-yl)tetrahydrofuran-2-one (3R,5S)-5-methyl-3-(3-pyrazol-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) -0.79 2.73 -10.28 0 5 0 47 221.26 2 ↓
Mid Mid (pH 6-8) -0.79 5.72 -46.35 1 5 1 49 222.268 2 ↓

Analogs

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Popular Name: (3R,5S)-3-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-5-methyl-tetrahydrofuran-2-one (3R,5S)-3-[3-(3,5-dimethylpyrazo…

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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) -0.35 4.02 -11.77 0 5 0 47 249.314 2 ↓
Mid Mid (pH 6-8) -0.35 7.01 -44.65 1 5 1 49 250.322 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,5S)-3-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-5-methyl-tetrahydrofuran-2-one (3S,5S)-3-[3-(3,5-dimethylpyrazo…

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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) -0.35 3.79 -12.5 0 5 0 47 249.314 2 ↓
Mid Mid (pH 6-8) -0.35 6.94 -44.88 1 5 1 49 250.322 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,5R)-3-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-5-methyl-tetrahydrofuran-2-one (3R,5R)-3-[3-(3,5-dimethylpyrazo…

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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) -0.35 3.95 -12.16 0 5 0 47 249.314 2 ↓
Mid Mid (pH 6-8) -0.35 6.95 -45.02 1 5 1 49 250.322 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,5R)-3-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-5-methyl-tetrahydrofuran-2-one (3S,5R)-3-[3-(3,5-dimethylpyrazo…

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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) -0.35 4 -8.76 0 5 0 47 249.314 2 ↓
Mid Mid (pH 6-8) -0.35 7.24 -44.63 1 5 1 49 250.322 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(3-pyrazol-1-ylazetidin-1-yl)tetrahydrofuran-2-one (3R)-3-(3-pyrazol-1-ylazetidin-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) -0.90 2.1 -10.32 0 5 0 47 207.233 2 ↓
Mid Mid (pH 6-8) -0.90 4.97 -46.16 1 5 1 49 208.241 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(3-pyrazol-1-ylazetidin-1-yl)tetrahydrofuran-2-one (3S)-3-(3-pyrazol-1-ylazetidin-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) -0.90 1.91 -9.56 0 5 0 47 207.233 2 ↓
Mid Mid (pH 6-8) -0.90 5.02 -51.93 1 5 1 49 208.241 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]tetrahydrofuran-2-one (3R)-3-[3-(3,5-dimethylpyrazol-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) -0.46 3.44 -14.87 0 5 0 47 235.287 2 ↓
Mid Mid (pH 6-8) -0.46 6.42 -43.02 1 5 1 49 236.295 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]tetrahydrofuran-2-one (3S)-3-[3-(3,5-dimethylpyrazol-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) -0.46 3.09 -13.12 0 5 0 47 235.287 2 ↓
Mid Mid (pH 6-8) -0.46 6.28 -43.35 1 5 1 49 236.295 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]tetrahydrofuran-2-one (3R)-3-[3-(4-methylpyrazol-1-yl)…

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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) -0.52 2.78 -10.35 0 5 0 47 221.26 2 ↓
Mid Mid (pH 6-8) -0.52 5.65 -46.01 1 5 1 49 222.268 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]tetrahydrofuran-2-one (3S)-3-[3-(4-methylpyrazol-1-yl)…

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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) -0.52 2.43 -9.51 0 5 0 47 221.26 2 ↓
Mid Mid (pH 6-8) -0.52 5.69 -50.97 1 5 1 49 222.268 2 ↓

Parameters Provided:

ring.id = 364840
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 = 364840 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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