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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-(aminomethyl)pyrrolidin-1-yl]-isoxazol-3-yl-methanone [(3R)-3-(aminomethyl)pyrrolidin-…

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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) -0.59 0.93 -52.43 3 5 1 74 196.23 2 ↓

Analogs

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Popular Name: [(3S)-3-(aminomethyl)pyrrolidin-1-yl]-isoxazol-3-yl-methanone [(3S)-3-(aminomethyl)pyrrolidin-…

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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) -0.59 0.93 -52.44 3 5 1 74 196.23 2 ↓

Analogs

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Popular Name: (3R)-3-methyl-1-(5-methylisoxazole-3-carbonyl)pyrrolidine-3-carboxylic (3R)-3-methyl-1-(5-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 4.84 -48.99 0 6 -1 86 237.235 2 ↓

Analogs

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Popular Name: (3S)-3-methyl-1-(5-methylisoxazole-3-carbonyl)pyrrolidine-3-carboxylic (3S)-3-methyl-1-(5-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 4.92 -52.4 0 6 -1 86 237.235 2 ↓

Analogs

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Popular Name: (3S)-1-(isoxazole-3-carbonyl)-3-methyl-pyrrolidine-3-carboxylic (3S)-1-(isoxazole-3-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 4.03 -49.8 0 6 -1 86 223.208 2 ↓

Analogs

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Popular Name: (3R)-1-(isoxazole-3-carbonyl)-3-methyl-pyrrolidine-3-carboxylic (3R)-1-(isoxazole-3-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 4.14 -53.72 0 6 -1 86 223.208 2 ↓

Analogs

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Popular Name: (3S)-3-ethyl-1-(5-methylisoxazole-3-carbonyl)pyrrolidine-3-carboxylic (3S)-3-ethyl-1-(5-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 5.41 -46.13 0 6 -1 86 251.262 3 ↓

Analogs

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Popular Name: (3R)-3-ethyl-1-(5-methylisoxazole-3-carbonyl)pyrrolidine-3-carboxylic (3R)-3-ethyl-1-(5-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 5.44 -52.25 0 6 -1 86 251.262 3 ↓

Analogs

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Popular Name: (3S)-3-ethyl-1-(isoxazole-3-carbonyl)pyrrolidine-3-carboxylic (3S)-3-ethyl-1-(isoxazole-3-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 4.58 -47.08 0 6 -1 86 237.235 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-1-(isoxazole-3-carbonyl)pyrrolidine-3-carboxylic (3R)-3-ethyl-1-(isoxazole-3-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 4.62 -53.22 0 6 -1 86 237.235 3 ↓

Analogs

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Popular Name: (3S)-1-(5-methylisoxazole-3-carbonyl)-3-propyl-pyrrolidine-3-carboxylic (3S)-1-(5-methylisoxazole-3-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 6.18 -46.52 0 6 -1 86 265.289 4 ↓

Analogs

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Popular Name: (3R)-1-(5-methylisoxazole-3-carbonyl)-3-propyl-pyrrolidine-3-carboxylic (3R)-1-(5-methylisoxazole-3-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 6.2 -52.61 0 6 -1 86 265.289 4 ↓

Analogs

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Popular Name: (3S)-1-(isoxazole-3-carbonyl)-3-propyl-pyrrolidine-3-carboxylic (3S)-1-(isoxazole-3-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 5.34 -47.49 0 6 -1 86 251.262 4 ↓

Analogs

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Popular Name: (3R)-1-(isoxazole-3-carbonyl)-3-propyl-pyrrolidine-3-carboxylic (3R)-1-(isoxazole-3-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 5.38 -53.55 0 6 -1 86 251.262 4 ↓

Analogs

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

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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) 1.83 6.31 -8.18 0 4 0 46 222.288 2 ↓

Analogs

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Popular Name: (5-isobutylisoxazol-3-yl)-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone (5-isobutylisoxazol-3-yl)-[(2S)-…

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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) 2.01 7.32 -9.14 0 5 0 56 266.341 5 ↓

Analogs

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Popular Name: 2-[(2R)-1-(5-methylisoxazole-3-carbonyl)pyrrolidin-2-yl]acetic 2-[(2R)-1-(5-methylisoxazole-3-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 5.2 -50.89 0 6 -1 86 237.235 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-1-(5-methylisoxazole-3-carbonyl)pyrrolidin-2-yl]acetic 2-[(2S)-1-(5-methylisoxazole-3-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 5.15 -50.82 0 6 -1 86 237.235 3 ↓

Analogs

42433378
42433378

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Popular Name: [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(5-methylisoxazol-3-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 2.94 -10.8 1 5 0 67 210.233 2 ↓

Analogs

42433377
42433377

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Popular Name: [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(5-methylisoxazol-3-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 2.94 -10.8 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 = 10429 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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