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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)-3-methyl-1-[(4-methyl-2-oxo-3H-thiazol-5-yl)sulfonyl]pyrrolidine-3-carboxylic (3R)-3-methyl-1-[(4-methyl-2-oxo…

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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) 0.13 1.21 -52.2 1 7 -1 110 305.357 3 ↓

Analogs

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Popular Name: (3S)-3-methyl-1-[(4-methyl-2-oxo-3H-thiazol-5-yl)sulfonyl]pyrrolidine-3-carboxylic (3S)-3-methyl-1-[(4-methyl-2-oxo…

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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) 0.13 1.23 -51.41 1 7 -1 110 305.357 3 ↓

Analogs

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Popular Name: (3S)-3-ethyl-1-[(4-methyl-2-oxo-3H-thiazol-5-yl)sulfonyl]pyrrolidine-3-carboxylic (3S)-3-ethyl-1-[(4-methyl-2-oxo-…

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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) 0.46 1.71 -45.9 1 7 -1 110 319.384 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-1-[(4-methyl-2-oxo-3H-thiazol-5-yl)sulfonyl]pyrrolidine-3-carboxylic (3R)-3-ethyl-1-[(4-methyl-2-oxo-…

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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) 0.46 1.81 -50.36 1 7 -1 110 319.384 4 ↓

Analogs

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Popular Name: (3S)-1-[(4-methyl-2-oxo-3H-thiazol-5-yl)sulfonyl]-3-propyl-pyrrolidine-3-carboxylic (3S)-1-[(4-methyl-2-oxo-3H-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) 1.02 2.48 -46.12 1 7 -1 110 333.411 5 ↓

Analogs

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Popular Name: (3R)-1-[(4-methyl-2-oxo-3H-thiazol-5-yl)sulfonyl]-3-propyl-pyrrolidine-3-carboxylic (3R)-1-[(4-methyl-2-oxo-3H-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) 1.02 2.57 -50.61 1 7 -1 110 333.411 5 ↓

Analogs

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Popular Name: 5-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]sulfonyl-4-methyl-3H-thiazol-2-one 5-[(3S)-3-(dimethylamino)pyrroli…

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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) 0.29 1.36 -47 2 6 1 75 292.406 3 ↓
Hi High (pH 8-9.5) 0.29 -1.05 -10.69 1 6 0 73 291.398 3 ↓

Analogs

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Popular Name: 5-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]sulfonyl-4-methyl-3H-thiazol-2-one 5-[(3R)-3-(dimethylamino)pyrroli…

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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) 0.29 1.37 -46.75 2 6 1 75 292.406 3 ↓
Hi High (pH 8-9.5) 0.29 -1.02 -10.95 1 6 0 73 291.398 3 ↓

Analogs

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Popular Name: 5-[(3R)-3-(diethylamino)pyrrolidin-1-yl]sulfonyl-4-methyl-3H-thiazol-2-one 5-[(3R)-3-(diethylamino)pyrrolid…

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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) 1.04 2.43 -47.24 2 6 1 75 320.46 5 ↓
Hi High (pH 8-9.5) 1.04 0.39 -9.65 1 6 0 73 319.452 5 ↓

Analogs

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Popular Name: 5-[(3S)-3-(diethylamino)pyrrolidin-1-yl]sulfonyl-4-methyl-3H-thiazol-2-one 5-[(3S)-3-(diethylamino)pyrrolid…

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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) 1.04 2.43 -46.92 2 6 1 75 320.46 5 ↓
Hi High (pH 8-9.5) 1.04 0.28 -9.76 1 6 0 73 319.452 5 ↓

Analogs

42434487
42434487

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Popular Name: 5-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonyl-4-methyl-3H-thiazol-2-one 5-[(2R)-2-(hydroxymethyl)pyrroli…

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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) -0.10 -2.11 -11.36 2 6 0 90 278.355 3 ↓
Mid Mid (pH 6-8) 0.35 -4.23 -42.66 1 6 -1 94 277.347 3 ↓

Analogs

42434486
42434486

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonyl-4-methyl-3H-thiazol-2-one 5-[(2S)-2-(hydroxymethyl)pyrroli…

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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) -0.10 -2.35 -10.59 2 6 0 90 278.355 3 ↓
Mid Mid (pH 6-8) 0.35 -4.18 -44.6 1 6 -1 94 277.347 3 ↓

Parameters Provided:

ring.id = 309686
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 = 309686 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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