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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

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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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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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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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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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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: trimethyl-[[(2R,3S,5R)-2-methyl-3-oxo-1,3-oxathiolan-5-yl]methyl]ammonium trimethyl-[[(2R,3S,5R)-2-methyl-…

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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) -4.37 4.1 -43.62 0 3 1 26 192.304 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: trimethyl-[[(2R,3R,5R)-2-methyl-3-oxo-1,3-oxathiolan-5-yl]methyl]ammonium trimethyl-[[(2R,3R,5R)-2-methyl-…

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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) -4.37 4.01 -40.6 0 3 1 26 192.304 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: trimethyl-[[(2R,3R,5S)-2-methyl-3-oxo-1,3-oxathiolan-5-yl]methyl]ammonium trimethyl-[[(2R,3R,5S)-2-methyl-…

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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) -4.37 4.04 -43.07 0 3 1 26 192.304 2 ↓

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 ↓

Analogs

40972523
40972523
40954707
40954707

Draw Identity 99% 90% 80% 70%

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

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ACM1-1-E Muscarinic Acetylcholine Receptor M1 (cluster #1 Of 5), Eukaryotic Eukaryotes 145 0.40 Binding ≤ 10μM
ACM2-4-E Muscarinic Acetylcholine Receptor M2 (cluster #4 Of 6), Eukaryotic Eukaryotes 562 0.36 Binding ≤ 10μM
ACM3-1-E Muscarinic Acetylcholine Receptor M3 (cluster #1 Of 5), Eukaryotic Eukaryotes 468 0.37 Binding ≤ 10μM
ACM4-1-E Muscarinic Acetylcholine Receptor M4 (cluster #1 Of 6), Eukaryotic Eukaryotes 407 0.37 Binding ≤ 10μM
ACM5-3-E Muscarinic Acetylcholine Receptor M5 (cluster #3 Of 4), Eukaryotic Eukaryotes 513 0.37 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ACM1_HUMAN P11229 Muscarinic Acetylcholine Receptor M1, Human 109.64782 0.41 Binding ≤ 1μM
ACM2_HUMAN P08172 Muscarinic Acetylcholine Receptor M2, Human 218.776162 0.39 Binding ≤ 1μM
ACM3_HUMAN P20309 Muscarinic Acetylcholine Receptor M3, Human 301.995172 0.38 Binding ≤ 1μM
ACM4_HUMAN P08173 Muscarinic Acetylcholine Receptor M4, Human 407.380278 0.37 Binding ≤ 1μM
ACM5_HUMAN P08912 Muscarinic Acetylcholine Receptor M5, Human 229.086765 0.39 Binding ≤ 1μM
ACM1_HUMAN P11229 Muscarinic Acetylcholine Receptor M1, Human 109.64782 0.41 Binding ≤ 10μM
ACM2_HUMAN P08172 Muscarinic Acetylcholine Receptor M2, Human 218.776162 0.39 Binding ≤ 10μM
ACM3_HUMAN P20309 Muscarinic Acetylcholine Receptor M3, Human 301.995172 0.38 Binding ≤ 10μM
ACM4_HUMAN P08173 Muscarinic Acetylcholine Receptor M4, Human 1023.29299 0.35 Binding ≤ 10μM
ACM5_HUMAN P08912 Muscarinic Acetylcholine Receptor M5, Human 229.086765 0.39 Binding ≤ 10μM

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) 2.80 9.97 -45.46 1 3 1 31 342.484 3 ↓

Analogs

40954707
40954707

Draw Identity 99% 90% 80% 70%

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

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ACM1-1-E Muscarinic Acetylcholine Receptor M1 (cluster #1 Of 5), Eukaryotic Eukaryotes 145 0.40 Binding ≤ 10μM
ACM2-4-E Muscarinic Acetylcholine Receptor M2 (cluster #4 Of 6), Eukaryotic Eukaryotes 562 0.36 Binding ≤ 10μM
ACM3-1-E Muscarinic Acetylcholine Receptor M3 (cluster #1 Of 5), Eukaryotic Eukaryotes 468 0.37 Binding ≤ 10μM
ACM4-1-E Muscarinic Acetylcholine Receptor M4 (cluster #1 Of 6), Eukaryotic Eukaryotes 407 0.37 Binding ≤ 10μM
ACM5-3-E Muscarinic Acetylcholine Receptor M5 (cluster #3 Of 4), Eukaryotic Eukaryotes 513 0.37 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ACM1_HUMAN P11229 Muscarinic Acetylcholine Receptor M1, Human 109.64782 0.41 Binding ≤ 1μM
ACM2_HUMAN P08172 Muscarinic Acetylcholine Receptor M2, Human 218.776162 0.39 Binding ≤ 1μM
ACM3_HUMAN P20309 Muscarinic Acetylcholine Receptor M3, Human 301.995172 0.38 Binding ≤ 1μM
ACM4_HUMAN P08173 Muscarinic Acetylcholine Receptor M4, Human 407.380278 0.37 Binding ≤ 1μM
ACM5_HUMAN P08912 Muscarinic Acetylcholine Receptor M5, Human 229.086765 0.39 Binding ≤ 1μM
ACM1_HUMAN P11229 Muscarinic Acetylcholine Receptor M1, Human 109.64782 0.41 Binding ≤ 10μM
ACM2_HUMAN P08172 Muscarinic Acetylcholine Receptor M2, Human 218.776162 0.39 Binding ≤ 10μM
ACM3_HUMAN P20309 Muscarinic Acetylcholine Receptor M3, Human 301.995172 0.38 Binding ≤ 10μM
ACM4_HUMAN P08173 Muscarinic Acetylcholine Receptor M4, Human 1023.29299 0.35 Binding ≤ 10μM
ACM5_HUMAN P08912 Muscarinic Acetylcholine Receptor M5, Human 229.086765 0.39 Binding ≤ 10μM

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) 2.80 9.9 -40.04 1 3 1 31 342.484 3 ↓

Analogs

8461991
8461991
13886701
13886701
13886703
13886703

Draw Identity 99% 90% 80% 70%

Popular Name: CevimelineSulfoxide CevimelineSulfoxide

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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) 0.23 2.75 -38.56 1 3 1 31 216.326 0 ↓

Parameters Provided:

ring.id = 226257
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 = 226257 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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