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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)-1-(2-chloro-4-methyl-thiazol-5-yl)sulfonyl-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-(2-chloro-4-methyl-thiazo…

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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) 1.64 3.05 -48.72 1 5 1 55 310.852 3 ↓
Hi High (pH 8-9.5) 1.64 0.64 -7.79 0 5 0 54 309.844 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(2-chloro-4-methyl-thiazol-5-yl)sulfonyl-N,N-dimethyl-pyrrolidin-3-amine (3R)-1-(2-chloro-4-methyl-thiazo…

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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) 1.64 3.06 -48.97 1 5 1 55 310.852 3 ↓
Hi High (pH 8-9.5) 1.64 0.66 -7.58 0 5 0 54 309.844 3 ↓

Analogs

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Popular Name: (3R)-1-(2-chlorothiazol-5-yl)sulfonyl-N,N-dimethyl-pyrrolidin-3-amine (3R)-1-(2-chlorothiazol-5-yl)sul…

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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) 1.42 2.38 -45.49 1 5 1 55 296.825 3 ↓
Hi High (pH 8-9.5) 1.42 -0.03 -7.27 0 5 0 54 295.817 3 ↓

Analogs

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Popular Name: (3S)-1-(2-chlorothiazol-5-yl)sulfonyl-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-(2-chlorothiazol-5-yl)sul…

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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) 1.42 2.39 -45.37 1 5 1 55 296.825 3 ↓
Hi High (pH 8-9.5) 1.42 -0 -7.29 0 5 0 54 295.817 3 ↓

Analogs

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Popular Name: (3R)-1-(2-chloro-4-methyl-thiazol-5-yl)sulfonyl-N,N-diethyl-pyrrolidin-3-amine (3R)-1-(2-chloro-4-methyl-thiazo…

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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) 2.39 4.03 -47.17 1 5 1 55 338.906 5 ↓
Hi High (pH 8-9.5) 2.39 1.99 -8.18 0 5 0 54 337.898 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(2-chloro-4-methyl-thiazol-5-yl)sulfonyl-N,N-diethyl-pyrrolidin-3-amine (3S)-1-(2-chloro-4-methyl-thiazo…

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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) 2.39 4.02 -47.61 1 5 1 55 338.906 5 ↓
Hi High (pH 8-9.5) 2.39 1.87 -7.99 0 5 0 54 337.898 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(2-chlorothiazol-5-yl)sulfonyl-N,N-diethyl-pyrrolidin-3-amine (3R)-1-(2-chlorothiazol-5-yl)sul…

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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) 2.17 3.41 -43.42 1 5 1 55 324.879 5 ↓
Hi High (pH 8-9.5) 2.17 1.4 -6.93 0 5 0 54 323.871 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(2-chlorothiazol-5-yl)sulfonyl-N,N-diethyl-pyrrolidin-3-amine (3S)-1-(2-chlorothiazol-5-yl)sul…

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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) 2.17 3.39 -43.27 1 5 1 55 324.879 5 ↓
Hi High (pH 8-9.5) 2.17 1.28 -7.03 0 5 0 54 323.871 5 ↓

Analogs

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Popular Name: (2S,4R)-4-amino-1-(2,4-dimethylthiazol-5-yl)sulfonyl-N-methyl-pyrrolidine-2-carboxamide (2S,4R)-4-amino-1-(2,4-dimethylt…

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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) -1.51 -1.93 -70.78 4 7 1 107 319.432 3 ↓
Hi High (pH 8-9.5) -1.51 -2.22 -19.28 3 7 0 105 318.424 3 ↓

Analogs

42434810
42434810

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Popular Name: [(2R)-1-(2-chloro-4-methyl-thiazol-5-yl)sulfonylpyrrolidin-2-yl]methanol [(2R)-1-(2-chloro-4-methyl-thiaz…

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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) 1.25 -0.41 -9.62 1 5 0 71 296.801 3 ↓

Analogs

42434809
42434809

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Popular Name: [(2S)-1-(2-chloro-4-methyl-thiazol-5-yl)sulfonylpyrrolidin-2-yl]methanol [(2S)-1-(2-chloro-4-methyl-thiaz…

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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) 1.25 -0.37 -10.01 1 5 0 71 296.801 3 ↓

Analogs

42434818
42434818

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Popular Name: [(2R)-1-(2-chlorothiazol-5-yl)sulfonylpyrrolidin-2-yl]methanol [(2R)-1-(2-chlorothiazol-5-yl)su…

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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) 1.03 -1.07 -8.81 1 5 0 71 282.774 3 ↓

Analogs

42434817
42434817

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Popular Name: [(2S)-1-(2-chlorothiazol-5-yl)sulfonylpyrrolidin-2-yl]methanol [(2S)-1-(2-chlorothiazol-5-yl)su…

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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) 1.03 -1.33 -8.27 1 5 0 71 282.774 3 ↓

Parameters Provided:

ring.id = 323502
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 = 323502 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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