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Analogs

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Popular Name: (2S,4R)-4-methoxy-1-(5-methylpyrazine-2-carbonyl)pyrrolidine-2-carboxylic (2S,4R)-4-methoxy-1-(5-methylpyr…

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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) -1.99 2.39 -64.35 0 7 -1 95 264.261 3 ↓

Analogs

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Popular Name: (2S,4S)-4-methoxy-1-(5-methylpyrazine-2-carbonyl)pyrrolidine-2-carboxylic (2S,4S)-4-methoxy-1-(5-methylpyr…

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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) -1.99 2.39 -62.87 0 7 -1 95 264.261 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-4-methoxy-1-(5-methylpyrazine-2-carbonyl)pyrrolidine-2-carboxylic (2R,4R)-4-methoxy-1-(5-methylpyr…

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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) -1.99 2.39 -62.86 0 7 -1 95 264.261 3 ↓

Analogs

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Popular Name: (2R,4S)-4-methoxy-1-(5-methylpyrazine-2-carbonyl)pyrrolidine-2-carboxylic (2R,4S)-4-methoxy-1-(5-methylpyr…

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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) -1.99 2.39 -64.43 0 7 -1 95 264.261 3 ↓

Analogs

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Popular Name: (3R)-3-methyl-1-(5-methylpyrazine-2-carbonyl)pyrrolidine-3-carboxylic (3R)-3-methyl-1-(5-methylpyrazin…

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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) 0.12 4.44 -51.84 0 6 -1 86 248.262 2 ↓

Analogs

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Popular Name: (3S)-3-methyl-1-(5-methylpyrazine-2-carbonyl)pyrrolidine-3-carboxylic (3S)-3-methyl-1-(5-methylpyrazin…

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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) 0.12 4.47 -49.95 0 6 -1 86 248.262 2 ↓

Analogs

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Popular Name: (3S)-3-methyl-1-(pyrazine-2-carbonyl)pyrrolidine-3-carboxylic (3S)-3-methyl-1-(pyrazine-2-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) -0.10 3.84 -52 0 6 -1 86 234.235 2 ↓

Analogs

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Popular Name: (3R)-3-methyl-1-(pyrazine-2-carbonyl)pyrrolidine-3-carboxylic (3R)-3-methyl-1-(pyrazine-2-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) -0.10 3.89 -50.16 0 6 -1 86 234.235 2 ↓

Analogs

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Popular Name: (3S)-3-ethyl-1-(5-methylpyrazine-2-carbonyl)pyrrolidine-3-carboxylic (3S)-3-ethyl-1-(5-methylpyrazine…

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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 4.96 -45.86 0 6 -1 86 262.289 3 ↓

Analogs

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Popular Name: (3R)-3-ethyl-1-(5-methylpyrazine-2-carbonyl)pyrrolidine-3-carboxylic (3R)-3-ethyl-1-(5-methylpyrazine…

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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 4.99 -49.54 0 6 -1 86 262.289 3 ↓

Analogs

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Popular Name: (3S)-3-ethyl-1-(pyrazine-2-carbonyl)pyrrolidine-3-carboxylic (3S)-3-ethyl-1-(pyrazine-2-carbo…

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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) 0.24 4.35 -46.15 0 6 -1 86 248.262 3 ↓

Analogs

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Popular Name: (3R)-3-ethyl-1-(pyrazine-2-carbonyl)pyrrolidine-3-carboxylic (3R)-3-ethyl-1-(pyrazine-2-carbo…

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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) 0.24 4.38 -49.57 0 6 -1 86 248.262 3 ↓

Analogs

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Popular Name: (3S)-1-(5-methylpyrazine-2-carbonyl)-3-propyl-pyrrolidine-3-carboxylic (3S)-1-(5-methylpyrazine-2-carbo…

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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 5.71 -46.17 0 6 -1 86 276.316 4 ↓

Analogs

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Popular Name: (3R)-1-(5-methylpyrazine-2-carbonyl)-3-propyl-pyrrolidine-3-carboxylic (3R)-1-(5-methylpyrazine-2-carbo…

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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 5.75 -49.79 0 6 -1 86 276.316 4 ↓

Analogs

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Popular Name: (3S)-3-propyl-1-(pyrazine-2-carbonyl)pyrrolidine-3-carboxylic (3S)-3-propyl-1-(pyrazine-2-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) 0.80 5.1 -46.47 0 6 -1 86 262.289 4 ↓

Analogs

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Popular Name: (3R)-3-propyl-1-(pyrazine-2-carbonyl)pyrrolidine-3-carboxylic (3R)-3-propyl-1-(pyrazine-2-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) 0.80 5.15 -49.83 0 6 -1 86 262.289 4 ↓

Analogs

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

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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) -0.18 4.19 -55.09 0 6 -1 86 234.235 3 ↓

Analogs

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

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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) -0.18 4.14 -54.85 0 6 -1 86 234.235 3 ↓

Analogs

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

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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) 0.04 4.8 -54.69 0 6 -1 86 248.262 3 ↓

Analogs

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

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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) 0.04 4.75 -54.46 0 6 -1 86 248.262 3 ↓

Analogs

42433324
42433324

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Popular Name: [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(5-methylpyrazin-2-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) -0.11 2.51 -11.85 1 5 0 66 221.26 2 ↓

Analogs

42433323
42433323

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Popular Name: [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(5-methylpyrazin-2-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) -0.11 2.52 -11.89 1 5 0 66 221.26 2 ↓

Analogs

42433542
42433542

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Popular Name: (2-(hydroxymethyl)pyrrolidin-1-yl)(pyrazin-2-yl)methanone (2-(hydroxymethyl)pyrrolidin-1-y…

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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) -0.33 1.9 -12.09 1 5 0 66 207.233 2 ↓

Analogs

42433541
42433541

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Popular Name: (2-(hydroxymethyl)pyrrolidin-1-yl)(pyrazin-2-yl)methanone (2-(hydroxymethyl)pyrrolidin-1-y…

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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) -0.33 1.91 -12.06 1 5 0 66 207.233 2 ↓

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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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 = 48692 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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