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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)-N-methyl-N-[[(3S)-3-methylpyrrolidin-3-yl]methyl]-1,1-dioxo-thiolan-3-amine (3R)-N-methyl-N-[[(3S)-3-methylp…

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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) 0.39 0.36 -50.5 2 4 1 54 247.384 3 ↓
Lo Low (pH 4.5-6) 0.39 2.29 -124.86 3 4 2 55 248.392 3 ↓

Analogs

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Popular Name: (3R)-N-methyl-N-[[(3R)-3-methylpyrrolidin-3-yl]methyl]-1,1-dioxo-thiolan-3-amine (3R)-N-methyl-N-[[(3R)-3-methylp…

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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) 0.39 0.66 -49.62 2 4 1 54 247.384 3 ↓
Lo Low (pH 4.5-6) 0.39 2.38 -125.83 3 4 2 55 248.392 3 ↓

Analogs

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Popular Name: (3R)-N-[[(3S)-3-ethylpyrrolidin-3-yl]methyl]-N-methyl-1,1-dioxo-thiolan-3-amine (3R)-N-[[(3S)-3-ethylpyrrolidin-…

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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) 0.73 1.73 -49.72 2 4 1 54 261.411 4 ↓
Lo Low (pH 4.5-6) 0.73 2.96 -131.16 3 4 2 55 262.419 4 ↓

Analogs

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Popular Name: (3R)-N-[[(3R)-3-ethylpyrrolidin-3-yl]methyl]-N-methyl-1,1-dioxo-thiolan-3-amine (3R)-N-[[(3R)-3-ethylpyrrolidin-…

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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) 0.73 0.95 -51.94 2 4 1 54 261.411 4 ↓
Lo Low (pH 4.5-6) 0.73 2.79 -123.61 3 4 2 55 262.419 4 ↓

Analogs

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Popular Name: (3R)-N-methyl-1,1-dioxo-N-[[(3S)-3-propylpyrrolidin-3-yl]methyl]thiolan-3-amine (3R)-N-methyl-1,1-dioxo-N-[[(3S)…

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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) 1.29 1.82 -52.46 2 4 1 54 275.438 5 ↓
Lo Low (pH 4.5-6) 1.29 3.64 -129.21 3 4 2 55 276.446 5 ↓

Analogs

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Popular Name: (3R)-N-methyl-1,1-dioxo-N-[[(3R)-3-propylpyrrolidin-3-yl]methyl]thiolan-3-amine (3R)-N-methyl-1,1-dioxo-N-[[(3R)…

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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) 1.29 1.68 -52.98 2 4 1 54 275.438 5 ↓
Lo Low (pH 4.5-6) 1.29 3.53 -125.82 3 4 2 55 276.446 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-N-[[(3S)-3-methylpyrrolidin-3-yl]methyl]-1,1-dioxo-thiolan-3-amine (3R)-3-methyl-N-[[(3S)-3-methylp…

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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) 0.60 0.2 -50.49 3 4 1 63 247.384 3 ↓
Mid Mid (pH 6-8) 0.60 1.2 -121.66 4 4 2 67 248.392 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-N-[[(3R)-3-methylpyrrolidin-3-yl]methyl]-1,1-dioxo-thiolan-3-amine (3R)-3-methyl-N-[[(3R)-3-methylp…

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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) 0.60 0.13 -49.58 3 4 1 63 247.384 3 ↓
Mid Mid (pH 6-8) 0.60 1.24 -122.51 4 4 2 67 248.392 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-N-[[(3S)-3-methylpyrrolidin-3-yl]methyl]-1,1-dioxo-thiolan-3-amine (3S)-3-methyl-N-[[(3S)-3-methylp…

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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) 0.60 0.15 -49.77 3 4 1 63 247.384 3 ↓
Mid Mid (pH 6-8) 0.60 1.15 -123.38 4 4 2 67 248.392 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-N-[[(3R)-3-methylpyrrolidin-3-yl]methyl]-1,1-dioxo-thiolan-3-amine (3S)-3-methyl-N-[[(3R)-3-methylp…

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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) 0.60 0.08 -48.28 3 4 1 63 247.384 3 ↓
Mid Mid (pH 6-8) 0.60 1.2 -123.32 4 4 2 67 248.392 3 ↓

Analogs

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Popular Name: (3R)-N-[[(3S)-3-ethylpyrrolidin-3-yl]methyl]-3-methyl-1,1-dioxo-thiolan-3-amine (3R)-N-[[(3S)-3-ethylpyrrolidin-…

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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) 0.93 0.75 -52.09 3 4 1 63 261.411 4 ↓
Mid Mid (pH 6-8) 0.93 1.73 -124.3 4 4 2 67 262.419 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[[(3R)-3-ethylpyrrolidin-3-yl]methyl]-3-methyl-1,1-dioxo-thiolan-3-amine (3R)-N-[[(3R)-3-ethylpyrrolidin-…

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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) 0.93 0.59 -49.99 3 4 1 63 261.411 4 ↓
Mid Mid (pH 6-8) 0.93 1.61 -124.62 4 4 2 67 262.419 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[[(3S)-3-ethylpyrrolidin-3-yl]methyl]-3-methyl-1,1-dioxo-thiolan-3-amine (3S)-N-[[(3S)-3-ethylpyrrolidin-…

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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) 0.93 0.69 -51.09 3 4 1 63 261.411 4 ↓
Mid Mid (pH 6-8) 0.93 1.63 -125.49 4 4 2 67 262.419 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[[(3R)-3-ethylpyrrolidin-3-yl]methyl]-3-methyl-1,1-dioxo-thiolan-3-amine (3S)-N-[[(3R)-3-ethylpyrrolidin-…

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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) 0.93 0.58 -50.71 3 4 1 63 261.411 4 ↓
Mid Mid (pH 6-8) 0.93 1.6 -125.41 4 4 2 67 262.419 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-1,1-dioxo-N-[[(3S)-3-propylpyrrolidin-3-yl]methyl]thiolan-3-amine (3R)-3-methyl-1,1-dioxo-N-[[(3S)…

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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) 1.49 1.51 -53.03 3 4 1 63 275.438 5 ↓
Mid Mid (pH 6-8) 1.49 2.48 -126.85 4 4 2 67 276.446 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-1,1-dioxo-N-[[(3R)-3-propylpyrrolidin-3-yl]methyl]thiolan-3-amine (3R)-3-methyl-1,1-dioxo-N-[[(3R)…

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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) 1.49 1.36 -50.66 3 4 1 63 275.438 5 ↓
Mid Mid (pH 6-8) 1.49 2.34 -126.83 4 4 2 67 276.446 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-1,1-dioxo-N-[[(3S)-3-propylpyrrolidin-3-yl]methyl]thiolan-3-amine (3S)-3-methyl-1,1-dioxo-N-[[(3S)…

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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) 1.49 1.46 -52 3 4 1 63 275.438 5 ↓
Mid Mid (pH 6-8) 1.49 2.39 -128.1 4 4 2 67 276.446 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-1,1-dioxo-N-[[(3R)-3-propylpyrrolidin-3-yl]methyl]thiolan-3-amine (3S)-3-methyl-1,1-dioxo-N-[[(3R)…

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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) 1.49 1.33 -51.53 3 4 1 63 275.438 5 ↓
Mid Mid (pH 6-8) 1.49 2.34 -127.57 4 4 2 67 276.446 5 ↓

Parameters Provided:

ring.id = 35197
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 = 35197 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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