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Analogs

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Popular Name: (3R)-1-(4-isobutyl-3-oxo-pyrazin-2-yl)-3-methyl-pyrrolidine-3-carboxylic (3R)-1-(4-isobutyl-3-oxo-pyrazin…

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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) 1.09 7.65 -52.58 0 6 -1 78 278.332 4 ↓
Mid Mid (pH 6-8) 1.09 8.22 -43.22 1 6 0 79 279.34 4 ↓
Lo Low (pH 4.5-6) 1.09 7.96 -48.88 1 6 0 80 279.34 4 ↓

Analogs

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Popular Name: (3S)-1-(4-isobutyl-3-oxo-pyrazin-2-yl)-3-methyl-pyrrolidine-3-carboxylic (3S)-1-(4-isobutyl-3-oxo-pyrazin…

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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) 1.09 7.66 -51.25 0 6 -1 78 278.332 4 ↓
Mid Mid (pH 6-8) 1.09 8.27 -43.71 1 6 0 79 279.34 4 ↓
Lo Low (pH 4.5-6) 1.09 7.99 -48.95 1 6 0 80 279.34 4 ↓

Analogs

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Popular Name: (3S)-3-methyl-1-(4-methyl-3-oxo-pyrazin-2-yl)pyrrolidine-3-carboxylic (3S)-3-methyl-1-(4-methyl-3-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) -0.04 5.43 -53.18 0 6 -1 78 236.251 2 ↓
Mid Mid (pH 6-8) -0.04 5.82 -49.99 1 6 0 80 237.259 2 ↓
Mid Mid (pH 6-8) -0.04 6 -48.78 1 6 0 79 237.259 2 ↓

Analogs

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Popular Name: (3R)-3-methyl-1-(4-methyl-3-oxo-pyrazin-2-yl)pyrrolidine-3-carboxylic (3R)-3-methyl-1-(4-methyl-3-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) -0.04 5.45 -51.42 0 6 -1 78 236.251 2 ↓
Mid Mid (pH 6-8) -0.04 5.85 -49.61 1 6 0 80 237.259 2 ↓
Mid Mid (pH 6-8) -0.04 5.48 -44.83 1 6 0 79 237.259 2 ↓

Analogs

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Popular Name: (3R)-1-(4-isopropyl-3-oxo-pyrazin-2-yl)-3-methyl-pyrrolidine-3-carboxylic (3R)-1-(4-isopropyl-3-oxo-pyrazi…

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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) 0.70 6.79 -52.45 0 6 -1 78 264.305 3 ↓
Mid Mid (pH 6-8) 0.70 7.18 -48.19 1 6 0 80 265.313 3 ↓
Mid Mid (pH 6-8) 0.70 7.44 -42.58 1 6 0 79 265.313 3 ↓

Analogs

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Popular Name: (3S)-1-(4-isopropyl-3-oxo-pyrazin-2-yl)-3-methyl-pyrrolidine-3-carboxylic (3S)-1-(4-isopropyl-3-oxo-pyrazi…

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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) 0.70 6.8 -50.86 0 6 -1 78 264.305 3 ↓
Mid Mid (pH 6-8) 0.70 7.49 -42.79 1 6 0 79 265.313 3 ↓
Mid Mid (pH 6-8) 0.70 7.21 -47.97 1 6 0 80 265.313 3 ↓

Analogs

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Popular Name: (3R)-1-(4-ethyl-3-oxo-pyrazin-2-yl)-3-methyl-pyrrolidine-3-carboxylic (3R)-1-(4-ethyl-3-oxo-pyrazin-2-…

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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) 0.34 6.37 -52.99 0 6 -1 78 250.278 3 ↓
Mid Mid (pH 6-8) 0.34 7.01 -43.95 1 6 0 79 251.286 3 ↓
Mid Mid (pH 6-8) 0.34 6.76 -49.36 1 6 0 80 251.286 3 ↓

Analogs

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Popular Name: (3S)-1-(4-ethyl-3-oxo-pyrazin-2-yl)-3-methyl-pyrrolidine-3-carboxylic (3S)-1-(4-ethyl-3-oxo-pyrazin-2-…

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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) 0.34 6.38 -51.45 0 6 -1 78 250.278 3 ↓
Mid Mid (pH 6-8) 0.34 7.07 -44.36 1 6 0 79 251.286 3 ↓
Mid Mid (pH 6-8) 0.34 6.78 -49.28 1 6 0 80 251.286 3 ↓

Analogs

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Popular Name: (3R)-3-methyl-1-(3-oxo-4-propyl-pyrazin-2-yl)pyrrolidine-3-carboxylic (3R)-3-methyl-1-(3-oxo-4-propyl-…

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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) 0.84 7.12 -52.68 0 6 -1 78 264.305 4 ↓
Mid Mid (pH 6-8) 0.84 7.51 -49.29 1 6 0 80 265.313 4 ↓
Mid Mid (pH 6-8) 0.84 7.77 -43.79 1 6 0 79 265.313 4 ↓

Analogs

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Popular Name: (3S)-3-methyl-1-(3-oxo-4-propyl-pyrazin-2-yl)pyrrolidine-3-carboxylic (3S)-3-methyl-1-(3-oxo-4-propyl-…

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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) 0.84 7.13 -51.19 0 6 -1 78 264.305 4 ↓
Mid Mid (pH 6-8) 0.84 7.54 -49.27 1 6 0 80 265.313 4 ↓
Mid Mid (pH 6-8) 0.84 7.82 -44.25 1 6 0 79 265.313 4 ↓

Analogs

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Popular Name: (3S)-1-(4-tert-butyl-3-oxo-pyrazin-2-yl)-3-methyl-pyrrolidine-3-carboxylic (3S)-1-(4-tert-butyl-3-oxo-pyraz…

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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) 1.15 7.26 -52.42 0 6 -1 78 278.332 3 ↓
Mid Mid (pH 6-8) 1.15 7.85 -46.36 1 6 0 79 279.34 3 ↓
Mid Mid (pH 6-8) 1.15 7.65 -47.69 1 6 0 80 279.34 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(4-tert-butyl-3-oxo-pyrazin-2-yl)-3-methyl-pyrrolidine-3-carboxylic (3R)-1-(4-tert-butyl-3-oxo-pyraz…

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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) 1.15 7.27 -50.67 0 6 -1 78 278.332 3 ↓
Mid Mid (pH 6-8) 1.15 7.68 -47.29 1 6 0 80 279.34 3 ↓
Mid Mid (pH 6-8) 1.15 7.34 -42.2 1 6 0 79 279.34 3 ↓

Analogs

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Popular Name: (3S)-3-ethyl-1-(4-isobutyl-3-oxo-pyrazin-2-yl)pyrrolidine-3-carboxylic (3S)-3-ethyl-1-(4-isobutyl-3-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) 1.42 8.07 -52.33 0 6 -1 78 292.359 5 ↓
Mid Mid (pH 6-8) 1.42 8.83 -52.18 1 6 0 79 293.367 5 ↓
Lo Low (pH 4.5-6) 1.42 8.47 -48.21 1 6 0 80 293.367 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-1-(4-isobutyl-3-oxo-pyrazin-2-yl)pyrrolidine-3-carboxylic (3R)-3-ethyl-1-(4-isobutyl-3-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) 1.42 8.16 -54.58 0 6 -1 78 292.359 5 ↓
Mid Mid (pH 6-8) 1.42 8.13 -42.84 1 6 0 79 293.367 5 ↓
Lo Low (pH 4.5-6) 1.42 8.55 -49.19 1 6 0 80 293.367 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-1-(4-methyl-3-oxo-pyrazin-2-yl)pyrrolidine-3-carboxylic (3S)-3-ethyl-1-(4-methyl-3-oxo-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) 0.30 5.92 -52.44 0 6 -1 78 250.278 3 ↓
Mid Mid (pH 6-8) 0.30 6.68 -52.06 1 6 0 79 251.286 3 ↓
Lo Low (pH 4.5-6) 0.30 6.3 -48.79 1 6 0 80 251.286 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-1-(4-methyl-3-oxo-pyrazin-2-yl)pyrrolidine-3-carboxylic (3R)-3-ethyl-1-(4-methyl-3-oxo-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) 0.30 6.01 -54.89 0 6 -1 78 250.278 3 ↓
Mid Mid (pH 6-8) 0.30 5.98 -43.58 1 6 0 79 251.286 3 ↓
Lo Low (pH 4.5-6) 0.30 6.4 -50.08 1 6 0 80 251.286 3 ↓

Analogs

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Popular Name: (3S)-3-ethyl-1-(4-isopropyl-3-oxo-pyrazin-2-yl)pyrrolidine-3-carboxylic (3S)-3-ethyl-1-(4-isopropyl-3-ox…

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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 7.28 -51.92 0 6 -1 78 278.332 4 ↓
Mid Mid (pH 6-8) 1.04 8.05 -51.56 1 6 0 79 279.34 4 ↓
Lo Low (pH 4.5-6) 1.04 7.67 -47.22 1 6 0 80 279.34 4 ↓

Analogs

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Popular Name: (3R)-3-ethyl-1-(4-isopropyl-3-oxo-pyrazin-2-yl)pyrrolidine-3-carboxylic (3R)-3-ethyl-1-(4-isopropyl-3-ox…

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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 7.36 -54.66 0 6 -1 78 278.332 4 ↓
Mid Mid (pH 6-8) 1.04 7.35 -41.77 1 6 0 79 279.34 4 ↓
Lo Low (pH 4.5-6) 1.04 7.75 -48.71 1 6 0 80 279.34 4 ↓

Analogs

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Popular Name: (3S)-3-ethyl-1-(4-ethyl-3-oxo-pyrazin-2-yl)pyrrolidine-3-carboxylic (3S)-3-ethyl-1-(4-ethyl-3-oxo-py…

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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) 0.68 6.85 -52.53 0 6 -1 78 264.305 4 ↓
Mid Mid (pH 6-8) 0.68 7.63 -52.21 1 6 0 79 265.313 4 ↓
Lo Low (pH 4.5-6) 0.68 7.24 -48.52 1 6 0 80 265.313 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-1-(4-ethyl-3-oxo-pyrazin-2-yl)pyrrolidine-3-carboxylic (3R)-3-ethyl-1-(4-ethyl-3-oxo-py…

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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) 0.68 6.94 -54.9 0 6 -1 78 264.305 4 ↓
Mid Mid (pH 6-8) 0.68 6.92 -43.27 1 6 0 79 265.313 4 ↓
Lo Low (pH 4.5-6) 0.68 7.32 -49.68 1 6 0 80 265.313 4 ↓

Analogs

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Popular Name: (3R)-3-ethyl-1-(3-oxo-4-propyl-pyrazin-2-yl)pyrrolidine-3-carboxylic (3R)-3-ethyl-1-(3-oxo-4-propyl-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) 1.18 7.7 -53.63 0 6 -1 78 278.332 5 ↓
Mid Mid (pH 6-8) 1.18 8.45 -45.93 1 6 0 79 279.34 5 ↓
Lo Low (pH 4.5-6) 1.18 8.09 -49.99 1 6 0 80 279.34 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-1-(3-oxo-4-propyl-pyrazin-2-yl)pyrrolidine-3-carboxylic (3S)-3-ethyl-1-(3-oxo-4-propyl-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) 1.18 7.69 -55.43 0 6 -1 78 278.332 5 ↓
Mid Mid (pH 6-8) 1.18 8.32 -43.25 1 6 0 79 279.34 5 ↓
Lo Low (pH 4.5-6) 1.18 8.08 -50.47 1 6 0 80 279.34 5 ↓

Analogs

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Popular Name: (3S)-1-(4-tert-butyl-3-oxo-pyrazin-2-yl)-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-(4-tert-butyl-3-oxo-pyraz…

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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) 1.49 7.75 -51.74 0 6 -1 78 292.359 4 ↓
Mid Mid (pH 6-8) 1.49 8.4 -49.84 1 6 0 79 293.367 4 ↓
Lo Low (pH 4.5-6) 1.49 8.14 -46.52 1 6 0 80 293.367 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(4-tert-butyl-3-oxo-pyrazin-2-yl)-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-(4-tert-butyl-3-oxo-pyraz…

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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) 1.49 7.84 -54.37 0 6 -1 78 292.359 4 ↓
Mid Mid (pH 6-8) 1.49 7.83 -41.02 1 6 0 79 293.367 4 ↓
Lo Low (pH 4.5-6) 1.49 8.22 -47.96 1 6 0 80 293.367 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(4-methyl-3-oxo-pyrazin-2-yl)-3-propyl-pyrrolidine-3-carboxylic (3S)-1-(4-methyl-3-oxo-pyrazin-2…

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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) 0.86 6.68 -52.8 0 6 -1 78 264.305 4 ↓
Mid Mid (pH 6-8) 0.86 7.45 -52.1 1 6 0 79 265.313 4 ↓
Lo Low (pH 4.5-6) 0.86 7.07 -48.84 1 6 0 80 265.313 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(4-methyl-3-oxo-pyrazin-2-yl)-3-propyl-pyrrolidine-3-carboxylic (3R)-1-(4-methyl-3-oxo-pyrazin-2…

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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) 0.86 6.76 -55.28 0 6 -1 78 264.305 4 ↓
Mid Mid (pH 6-8) 0.86 6.73 -43.59 1 6 0 79 265.313 4 ↓
Lo Low (pH 4.5-6) 0.86 7.16 -50.11 1 6 0 80 265.313 4 ↓

Analogs

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Popular Name: (3S)-1-(4-isopropyl-3-oxo-pyrazin-2-yl)-3-propyl-pyrrolidine-3-carboxylic (3S)-1-(4-isopropyl-3-oxo-pyrazi…

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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) 1.60 8.05 -52.3 0 6 -1 78 292.359 5 ↓
Mid Mid (pH 6-8) 1.60 8.82 -51.54 1 6 0 79 293.367 5 ↓
Lo Low (pH 4.5-6) 1.60 8.43 -47.24 1 6 0 80 293.367 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(4-isopropyl-3-oxo-pyrazin-2-yl)-3-propyl-pyrrolidine-3-carboxylic (3R)-1-(4-isopropyl-3-oxo-pyrazi…

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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) 1.60 8.12 -55.05 0 6 -1 78 292.359 5 ↓
Mid Mid (pH 6-8) 1.60 8.1 -41.79 1 6 0 79 293.367 5 ↓
Lo Low (pH 4.5-6) 1.60 8.52 -48.71 1 6 0 80 293.367 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(4-ethyl-3-oxo-pyrazin-2-yl)-3-propyl-pyrrolidine-3-carboxylic (3S)-1-(4-ethyl-3-oxo-pyrazin-2-…

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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) 1.24 7.62 -52.89 0 6 -1 78 278.332 5 ↓
Mid Mid (pH 6-8) 1.24 8.39 -52.16 1 6 0 79 279.34 5 ↓
Lo Low (pH 4.5-6) 1.24 8.01 -48.55 1 6 0 80 279.34 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(4-ethyl-3-oxo-pyrazin-2-yl)-3-propyl-pyrrolidine-3-carboxylic (3R)-1-(4-ethyl-3-oxo-pyrazin-2-…

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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) 1.24 7.7 -55.29 0 6 -1 78 278.332 5 ↓
Mid Mid (pH 6-8) 1.24 7.68 -43.37 1 6 0 79 279.34 5 ↓
Lo Low (pH 4.5-6) 1.24 8.1 -49.71 1 6 0 80 279.34 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(3-oxo-4-propyl-pyrazin-2-yl)-3-propyl-pyrrolidine-3-carboxylic (3S)-1-(3-oxo-4-propyl-pyrazin-2…

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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) 1.74 8.38 -52.67 0 6 -1 78 292.359 6 ↓
Mid Mid (pH 6-8) 1.74 9.15 -52.33 1 6 0 79 293.367 6 ↓
Lo Low (pH 4.5-6) 1.74 8.77 -48.49 1 6 0 80 293.367 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(3-oxo-4-propyl-pyrazin-2-yl)-3-propyl-pyrrolidine-3-carboxylic (3R)-1-(3-oxo-4-propyl-pyrazin-2…

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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) 1.74 8.47 -54.96 0 6 -1 78 292.359 6 ↓
Mid Mid (pH 6-8) 1.74 8.43 -43.24 1 6 0 79 293.367 6 ↓
Lo Low (pH 4.5-6) 1.74 8.85 -49.63 1 6 0 80 293.367 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethyl-3-pyrrolidin-1-yl-pyrazin-2-one 1-ethyl-3-pyrrolidin-1-yl-pyrazi…

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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) 0.75 5.8 -30.37 1 4 1 39 194.258 2 ↓
Mid Mid (pH 6-8) 0.75 5.4 -9.86 0 4 0 38 193.25 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-isobutyl-3-pyrrolidin-1-yl-pyrazin-2-one 1-isobutyl-3-pyrrolidin-1-yl-pyr…

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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) 1.50 7.09 -30.16 1 4 1 39 222.312 3 ↓

Parameters Provided:

ring.id = 310171
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 = 310171 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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