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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: (3R)-1,1-dioxo-3-[(2S)-2-piperidyl]thiolan-3-ol (3R)-1,1-dioxo-3-[(2S)-2-piperid…

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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) -0.05 -1.41 -48.84 3 4 1 71 220.314 1 ↓
Hi High (pH 8-9.5) -0.05 -2.51 -11.76 2 4 0 66 219.306 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1,1-dioxo-3-[(2R)-2-piperidyl]thiolan-3-ol (3R)-1,1-dioxo-3-[(2R)-2-piperid…

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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) -0.05 -1.39 -51.28 3 4 1 71 220.314 1 ↓
Hi High (pH 8-9.5) -0.05 -2.7 -12.36 2 4 0 66 219.306 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1,1-dioxo-3-[(2S)-2-piperidyl]thiolan-3-ol (3S)-1,1-dioxo-3-[(2S)-2-piperid…

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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) -0.05 -1.3 -52.78 3 4 1 71 220.314 1 ↓
Hi High (pH 8-9.5) -0.05 -2.42 -10.63 2 4 0 66 219.306 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1,1-dioxo-3-[(2R)-2-piperidyl]thiolan-3-ol (3S)-1,1-dioxo-3-[(2R)-2-piperid…

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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) -0.05 -1.33 -50.33 3 4 1 71 220.314 1 ↓
Hi High (pH 8-9.5) -0.05 -2.65 -12.3 2 4 0 66 219.306 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[(2S,4R)-4-methyl-2-piperidyl]-1,1-dioxo-thiolan-3-ol (3R)-3-[(2S,4R)-4-methyl-2-piper…

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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) 0.19 -0.79 -49.8 3 4 1 71 234.341 1 ↓
Hi High (pH 8-9.5) 0.19 -1.91 -11.66 2 4 0 66 233.333 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[(2S,4S)-4-methyl-2-piperidyl]-1,1-dioxo-thiolan-3-ol (3R)-3-[(2S,4S)-4-methyl-2-piper…

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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) 0.19 -1.02 -48.93 3 4 1 71 234.341 1 ↓
Hi High (pH 8-9.5) 0.19 -2.15 -11.6 2 4 0 66 233.333 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[(2R,4R)-4-methyl-2-piperidyl]-1,1-dioxo-thiolan-3-ol (3R)-3-[(2R,4R)-4-methyl-2-piper…

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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) 0.19 -1.01 -51.62 3 4 1 71 234.341 1 ↓
Hi High (pH 8-9.5) 0.19 -2.32 -12.2 2 4 0 66 233.333 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[(2R,4S)-4-methyl-2-piperidyl]-1,1-dioxo-thiolan-3-ol (3R)-3-[(2R,4S)-4-methyl-2-piper…

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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) 0.19 -0.77 -52.31 3 4 1 71 234.341 1 ↓
Hi High (pH 8-9.5) 0.19 -2.1 -12.28 2 4 0 66 233.333 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[(2S,4R)-4-ethyl-2-piperidyl]-1,1-dioxo-thiolan-3-ol (3R)-3-[(2S,4R)-4-ethyl-2-piperi…

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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) 0.88 -0.13 -50.33 3 4 1 71 248.368 2 ↓
Hi High (pH 8-9.5) 0.88 -1.24 -11.6 2 4 0 66 247.36 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[(2S,4S)-4-ethyl-2-piperidyl]-1,1-dioxo-thiolan-3-ol (3R)-3-[(2S,4S)-4-ethyl-2-piperi…

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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) 0.88 -0.41 -49.77 3 4 1 71 248.368 2 ↓
Hi High (pH 8-9.5) 0.88 -1.52 -11.5 2 4 0 66 247.36 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[(2R,4R)-4-ethyl-2-piperidyl]-1,1-dioxo-thiolan-3-ol (3R)-3-[(2R,4R)-4-ethyl-2-piperi…

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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) 0.88 -0.39 -52.41 3 4 1 71 248.368 2 ↓
Hi High (pH 8-9.5) 0.88 -1.69 -12.09 2 4 0 66 247.36 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[(2R,4S)-4-ethyl-2-piperidyl]-1,1-dioxo-thiolan-3-ol (3R)-3-[(2R,4S)-4-ethyl-2-piperi…

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) 0.88 -0.12 -52.83 3 4 1 71 248.368 2 ↓
Hi High (pH 8-9.5) 0.88 -1.43 -12.21 2 4 0 66 247.36 2 ↓

Parameters Provided:

ring.id = 477511
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 = 477511 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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