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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S,5R)-2-methyl-5-[(2R)-1-methylpyrrolidin-2-yl]-1,3-oxathiolane (2R,3S,5R)-2-methyl-5-[(2R)-1-me…

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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) -0.09 3 -47 1 3 1 31 204.315 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R,5R)-2-methyl-5-[(2R)-1-methylpyrrolidin-2-yl]-1,3-oxathiolane (2R,3R,5R)-2-methyl-5-[(2R)-1-me…

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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) -0.09 2.71 -42.91 1 3 1 31 204.315 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S,5S)-2-methyl-5-[(2R)-1-methylpyrrolidin-2-yl]-1,3-oxathiolane (2S,3S,5S)-2-methyl-5-[(2R)-1-me…

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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) -0.09 2.77 -41.75 1 3 1 31 204.315 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R,5S)-2-methyl-5-[(2R)-1-methylpyrrolidin-2-yl]-1,3-oxathiolane (2S,3R,5S)-2-methyl-5-[(2R)-1-me…

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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) -0.09 3.05 -47.59 1 3 1 31 204.315 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S,5R)-5-[(2R)-1,1-dimethylpyrrolidin-1-ium-2-yl]-2-methyl-1,3-oxathiolane (2R,3S,5R)-5-[(2R)-1,1-dimethylp…

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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) -4.06 5.03 -41.98 0 3 1 26 218.342 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R,5R)-5-[(2R)-1,1-dimethylpyrrolidin-1-ium-2-yl]-2-methyl-1,3-oxathiolane (2R,3R,5R)-5-[(2R)-1,1-dimethylp…

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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) -4.06 4.93 -37.39 0 3 1 26 218.342 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S,5S)-5-[(2R)-1,1-dimethylpyrrolidin-1-ium-2-yl]-2-methyl-1,3-oxathiolane (2S,3S,5S)-5-[(2R)-1,1-dimethylp…

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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) -4.06 4.82 -37.46 0 3 1 26 218.342 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R,5S)-5-[(2R)-1,1-dimethylpyrrolidin-1-ium-2-yl]-2-methyl-1,3-oxathiolane (2S,3R,5S)-5-[(2R)-1,1-dimethylp…

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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) -4.06 4.92 -41.28 0 3 1 26 218.342 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S,5S)-2-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]-1,3-oxathiolane (2S,3S,5S)-2-methyl-5-[(2S)-1-me…

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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) -0.09 3.01 -39.87 1 3 1 31 204.315 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R,5S)-2-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]-1,3-oxathiolane (2S,3R,5S)-2-methyl-5-[(2S)-1-me…

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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) -0.09 2.96 -46.15 1 3 1 31 204.315 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S,5R)-2-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]-1,3-oxathiolane (2R,3S,5R)-2-methyl-5-[(2S)-1-me…

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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) -0.09 2.87 -42.82 1 3 1 31 204.315 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R,5R)-2-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]-1,3-oxathiolane (2R,3R,5R)-2-methyl-5-[(2S)-1-me…

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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) -0.09 2.89 -41.97 1 3 1 31 204.315 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S,5S)-5-[(2S)-1,1-dimethylpyrrolidin-1-ium-2-yl]-2-methyl-1,3-oxathiolane (2S,3S,5S)-5-[(2S)-1,1-dimethylp…

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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) -4.06 4.95 -36.36 0 3 1 26 218.342 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R,5S)-5-[(2S)-1,1-dimethylpyrrolidin-1-ium-2-yl]-2-methyl-1,3-oxathiolane (2S,3R,5S)-5-[(2S)-1,1-dimethylp…

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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) -4.06 5.05 -42.89 0 3 1 26 218.342 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S,5R)-5-[(2S)-1,1-dimethylpyrrolidin-1-ium-2-yl]-2-methyl-1,3-oxathiolane (2R,3S,5R)-5-[(2S)-1,1-dimethylp…

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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) -4.06 4.94 -41.21 0 3 1 26 218.342 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R,5R)-5-[(2S)-1,1-dimethylpyrrolidin-1-ium-2-yl]-2-methyl-1,3-oxathiolane (2R,3R,5R)-5-[(2S)-1,1-dimethylp…

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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) -4.06 4.82 -37.49 0 3 1 26 218.342 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R,5S)-2-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]-1,3-oxathiolane (2R,3R,5S)-2-methyl-5-[(2S)-1-me…

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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) -0.09 2.93 -45.98 1 3 1 31 204.315 1 ↓
Hi High (pH 8-9.5) -0.09 0.46 -11.06 0 3 0 30 203.307 1 ↓

Parameters Provided:

ring.id = 226256
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 = 226256 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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