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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-(isoxazole-5-carbonyl)-3-methyl-pyrrolidine-3-carboxylic (3S)-1-(isoxazole-5-carbonyl)-3-…

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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 3.92 -48.2 0 6 -1 86 223.208 2 ↓

Analogs

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Popular Name: (3R)-1-(isoxazole-5-carbonyl)-3-methyl-pyrrolidine-3-carboxylic (3R)-1-(isoxazole-5-carbonyl)-3-…

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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 4.01 -51.9 0 6 -1 86 223.208 2 ↓

Analogs

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Popular Name: (3R)-3-methyl-1-(3-methylisoxazole-5-carbonyl)pyrrolidine-3-carboxylic (3R)-3-methyl-1-(3-methylisoxazo…

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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) 0.31 4.5 -47.81 0 6 -1 86 237.235 2 ↓

Analogs

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Popular Name: (3S)-3-methyl-1-(3-methylisoxazole-5-carbonyl)pyrrolidine-3-carboxylic (3S)-3-methyl-1-(3-methylisoxazo…

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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) 0.31 4.57 -51.01 0 6 -1 86 237.235 2 ↓

Analogs

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Popular Name: (3S)-3-ethyl-1-(isoxazole-5-carbonyl)pyrrolidine-3-carboxylic (3S)-3-ethyl-1-(isoxazole-5-carb…

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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) 0.43 4.46 -45.41 0 6 -1 86 237.235 3 ↓

Analogs

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Popular Name: (3R)-3-ethyl-1-(isoxazole-5-carbonyl)pyrrolidine-3-carboxylic (3R)-3-ethyl-1-(isoxazole-5-carb…

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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) 0.43 4.49 -51.33 0 6 -1 86 237.235 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-1-(3-methylisoxazole-5-carbonyl)pyrrolidine-3-carboxylic (3S)-3-ethyl-1-(3-methylisoxazol…

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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) 0.65 5.04 -44.87 0 6 -1 86 251.262 3 ↓

Analogs

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Popular Name: (3R)-3-ethyl-1-(3-methylisoxazole-5-carbonyl)pyrrolidine-3-carboxylic (3R)-3-ethyl-1-(3-methylisoxazol…

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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) 0.65 5.07 -50.85 0 6 -1 86 251.262 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(isoxazole-5-carbonyl)-3-propyl-pyrrolidine-3-carboxylic (3S)-1-(isoxazole-5-carbonyl)-3-…

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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) 0.98 5.22 -45.74 0 6 -1 86 251.262 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(isoxazole-5-carbonyl)-3-propyl-pyrrolidine-3-carboxylic (3R)-1-(isoxazole-5-carbonyl)-3-…

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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) 0.98 5.26 -51.72 0 6 -1 86 251.262 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(3-methylisoxazole-5-carbonyl)-3-propyl-pyrrolidine-3-carboxylic (3S)-1-(3-methylisoxazole-5-carb…

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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) 1.21 5.8 -45.23 0 6 -1 86 265.289 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(3-methylisoxazole-5-carbonyl)-3-propyl-pyrrolidine-3-carboxylic (3R)-1-(3-methylisoxazole-5-carb…

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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) 1.21 5.84 -51.23 0 6 -1 86 265.289 4 ↓

Analogs

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Popular Name: (2S,4R)-4-amino-1-(3-isobutylisoxazole-5-carbonyl)-N-methyl-pyrrolidine-2-carboxamide (2S,4R)-4-amino-1-(3-isobutyliso…

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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) -0.27 1.17 -61.73 4 7 1 103 295.363 4 ↓
Hi High (pH 8-9.5) -0.27 0.87 -14.07 3 7 0 101 294.355 4 ↓

Analogs

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Popular Name: (2S,4R)-4-amino-N-isopropyl-1-(3-isopropylisoxazole-5-carbonyl)pyrrolidine-2-carboxamide (2S,4R)-4-amino-N-isopropyl-1-(3…

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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) 0.14 2.07 -61.19 4 7 1 103 309.39 4 ↓
Hi High (pH 8-9.5) 0.14 1.78 -13.33 3 7 0 101 308.382 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-4-amino-1-(3-isobutylisoxazole-5-carbonyl)-N-methyl-pyrrolidine-2-carboxamide (2S,4S)-4-amino-1-(3-isobutyliso…

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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) -0.27 2.38 -63.78 4 7 1 103 295.363 4 ↓
Hi High (pH 8-9.5) -0.27 2.08 -15.2 3 7 0 101 294.355 4 ↓

Analogs

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Popular Name: 2-[(2R)-1-(isoxazole-5-carbonyl)pyrrolidin-2-yl]acetic 2-[(2R)-1-(isoxazole-5-carbonyl)…

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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) 0.01 4.26 -50 0 6 -1 86 223.208 3 ↓

Analogs

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Popular Name: 2-[(2S)-1-(isoxazole-5-carbonyl)pyrrolidin-2-yl]acetic 2-[(2S)-1-(isoxazole-5-carbonyl)…

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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) 0.01 4.25 -49.93 0 6 -1 86 223.208 3 ↓

Analogs

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Popular Name: 2-[(2R)-1-(3-methylisoxazole-5-carbonyl)pyrrolidin-2-yl]acetic 2-[(2R)-1-(3-methylisoxazole-5-c…

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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 4.85 -49.43 0 6 -1 86 237.235 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-1-(3-methylisoxazole-5-carbonyl)pyrrolidin-2-yl]acetic 2-[(2S)-1-(3-methylisoxazole-5-c…

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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 4.83 -49.42 0 6 -1 86 237.235 3 ↓

Analogs

42433340
42433340

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Popular Name: [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-isoxazol-5-yl-methanone [(2R)-2-(hydroxymethyl)pyrrolidi…

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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) -0.14 2.03 -10.27 1 5 0 67 196.206 2 ↓

Analogs

42433339
42433339

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Popular Name: [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-isoxazol-5-yl-methanone [(2S)-2-(hydroxymethyl)pyrrolidi…

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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) -0.14 2.02 -10.26 1 5 0 67 196.206 2 ↓

Analogs

42433352
42433352

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Popular Name: [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(3-methylisoxazol-5-yl)methanone [(2R)-2-(hydroxymethyl)pyrrolidi…

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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) 0.08 2.61 -10.08 1 5 0 67 210.233 2 ↓

Analogs

42433351
42433351

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Popular Name: [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(3-methylisoxazol-5-yl)methanone [(2S)-2-(hydroxymethyl)pyrrolidi…

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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) 0.08 2.61 -10.11 1 5 0 67 210.233 2 ↓

Parameters Provided:

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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 = 307147 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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