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Analogs

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Popular Name: 1-(4-isobutyl-3-oxo-pyrazin-2-yl)-4-methyl-piperidine-4-carboxylic 1-(4-isobutyl-3-oxo-pyrazin-2-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) 1.36 8.15 -53.92 0 6 -1 78 292.359 4 ↓
Mid Mid (pH 6-8) 1.36 8.48 -60.47 1 6 0 80 293.367 4 ↓

Analogs

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Popular Name: 4-methyl-1-(4-methyl-3-oxo-pyrazin-2-yl)piperidine-4-carboxylic 4-methyl-1-(4-methyl-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) 0.24 5.99 -54.3 0 6 -1 78 250.278 2 ↓
Mid Mid (pH 6-8) 0.24 6.35 -61.01 1 6 0 80 251.286 2 ↓

Analogs

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Popular Name: 1-(4-isopropyl-3-oxo-pyrazin-2-yl)-4-methyl-piperidine-4-carboxylic 1-(4-isopropyl-3-oxo-pyrazin-2-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) 0.97 7.38 -53.93 0 6 -1 78 278.332 3 ↓
Mid Mid (pH 6-8) 0.97 7.72 -59.73 1 6 0 80 279.34 3 ↓

Analogs

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

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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) 0.61 6.94 -54.28 0 6 -1 78 264.305 3 ↓
Mid Mid (pH 6-8) 0.61 7.29 -60.73 1 6 0 80 265.313 3 ↓

Analogs

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Popular Name: 4-methyl-1-(3-oxo-4-propyl-pyrazin-2-yl)piperidine-4-carboxylic 4-methyl-1-(3-oxo-4-propyl-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) 1.11 8.05 -60.79 1 6 0 80 279.34 4 ↓
Mid Mid (pH 6-8) 1.11 7.7 -54.02 0 6 -1 78 278.332 4 ↓

Analogs

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Popular Name: 1-(4-tert-butyl-3-oxo-pyrazin-2-yl)-4-methyl-piperidine-4-carboxylic 1-(4-tert-butyl-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) 1.42 7.82 -53.6 0 6 -1 78 292.359 3 ↓
Mid Mid (pH 6-8) 1.42 8.17 -58.93 1 6 0 80 293.367 3 ↓

Analogs

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Popular Name: 4-ethyl-1-(4-methyl-3-oxo-pyrazin-2-yl)piperidine-4-carboxylic 4-ethyl-1-(4-methyl-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) 0.57 6.8 -59.68 1 6 0 80 265.313 3 ↓
Mid Mid (pH 6-8) 0.57 6.45 -53.59 0 6 -1 78 264.305 3 ↓
Lo Low (pH 4.5-6) 0.57 4.98 -35.89 2 6 1 77 266.321 3 ↓

Analogs

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Popular Name: 4-ethyl-1-(4-isopropyl-3-oxo-pyrazin-2-yl)piperidine-4-carboxylic 4-ethyl-1-(4-isopropyl-3-oxo-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) 1.31 7.85 -53.35 0 6 -1 78 292.359 4 ↓
Mid Mid (pH 6-8) 1.31 8.21 -59.39 1 6 0 80 293.367 4 ↓
Lo Low (pH 4.5-6) 1.31 6.36 -36.87 2 6 1 77 294.375 4 ↓

Analogs

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Popular Name: 4-ethyl-1-(4-ethyl-3-oxo-pyrazin-2-yl)piperidine-4-carboxylic 4-ethyl-1-(4-ethyl-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) 0.95 7.74 -59.24 1 6 0 80 279.34 4 ↓
Mid Mid (pH 6-8) 0.95 7.38 -53.78 0 6 -1 78 278.332 4 ↓
Lo Low (pH 4.5-6) 0.95 5.92 -35.66 2 6 1 77 280.348 4 ↓

Analogs

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Popular Name: 4-ethyl-1-(3-oxo-4-propyl-pyrazin-2-yl)piperidine-4-carboxylic 4-ethyl-1-(3-oxo-4-propyl-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) 1.45 8.53 -61.17 1 6 0 80 293.367 5 ↓
Mid Mid (pH 6-8) 1.45 8.2 -54.21 0 6 -1 78 292.359 5 ↓
Lo Low (pH 4.5-6) 1.45 6.67 -37.74 2 6 1 77 294.375 5 ↓

Analogs

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Popular Name: 1-(4-methyl-3-oxo-pyrazin-2-yl)-4-propyl-piperidine-4-carboxylic 1-(4-methyl-3-oxo-pyrazin-2-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) 1.13 7.57 -59.92 1 6 0 80 279.34 4 ↓
Mid Mid (pH 6-8) 1.13 7.21 -54.1 0 6 -1 78 278.332 4 ↓
Lo Low (pH 4.5-6) 1.13 5.74 -35.92 2 6 1 77 280.348 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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 8.5 -59.48 1 6 0 80 293.367 5 ↓
Mid Mid (pH 6-8) 1.50 8.15 -54.27 0 6 -1 78 292.359 5 ↓
Lo Low (pH 4.5-6) 1.50 6.68 -35.71 2 6 1 77 294.375 5 ↓

Analogs

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Popular Name: (3R)-1-(4-isobutyl-3-oxo-pyrazin-2-yl)-3-methyl-piperidine-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) 1.36 8.88 -47.89 1 6 0 80 293.367 4 ↓
Mid Mid (pH 6-8) 1.36 8.53 -57.78 0 6 -1 78 292.359 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(4-isobutyl-3-oxo-pyrazin-2-yl)-3-methyl-piperidine-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) 1.36 8.83 -47.91 1 6 0 80 293.367 4 ↓
Mid Mid (pH 6-8) 1.36 8.5 -52.26 0 6 -1 78 292.359 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-1-(4-methyl-3-oxo-pyrazin-2-yl)piperidine-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) 0.24 6.73 -49.42 1 6 0 80 251.286 2 ↓
Mid Mid (pH 6-8) 0.24 6.39 -52.78 0 6 -1 78 250.278 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-1-(4-methyl-3-oxo-pyrazin-2-yl)piperidine-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) 0.24 6.71 -48.81 1 6 0 80 251.286 2 ↓
Mid Mid (pH 6-8) 0.24 6.35 -52.62 0 6 -1 78 250.278 2 ↓

Analogs

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Popular Name: (3R)-1-(4-isopropyl-3-oxo-pyrazin-2-yl)-3-methyl-piperidine-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) 0.97 8.11 -47.01 1 6 0 80 279.34 3 ↓
Mid Mid (pH 6-8) 0.97 7.75 -57.65 0 6 -1 78 278.332 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(4-isopropyl-3-oxo-pyrazin-2-yl)-3-methyl-piperidine-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) 0.97 8.06 -46.86 1 6 0 80 279.34 3 ↓
Mid Mid (pH 6-8) 0.97 7.73 -51.92 0 6 -1 78 278.332 3 ↓

Analogs

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Popular Name: (3R)-1-(4-ethyl-3-oxo-pyrazin-2-yl)-3-methyl-piperidine-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) 0.61 7.67 -48.4 1 6 0 80 265.313 3 ↓
Mid Mid (pH 6-8) 0.61 7.33 -57.67 0 6 -1 78 264.305 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(4-ethyl-3-oxo-pyrazin-2-yl)-3-methyl-piperidine-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) 0.61 7.63 -48.36 1 6 0 80 265.313 3 ↓
Mid Mid (pH 6-8) 0.61 7.29 -52.61 0 6 -1 78 264.305 3 ↓

Analogs

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Popular Name: (3R)-3-methyl-1-(3-oxo-4-propyl-pyrazin-2-yl)piperidine-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) 1.11 8.43 -48.34 1 6 0 80 279.34 4 ↓
Mid Mid (pH 6-8) 1.11 8.09 -57.64 0 6 -1 78 278.332 4 ↓

Analogs

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Popular Name: (3S)-3-methyl-1-(3-oxo-4-propyl-pyrazin-2-yl)piperidine-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) 1.11 8.39 -48.24 1 6 0 80 279.34 4 ↓
Mid Mid (pH 6-8) 1.11 8.05 -52.34 0 6 -1 78 278.332 4 ↓

Analogs

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Popular Name: (3S)-1-(4-tert-butyl-3-oxo-pyrazin-2-yl)-3-methyl-piperidine-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) 1.42 8.56 -46.9 1 6 0 80 293.367 3 ↓
Mid Mid (pH 6-8) 1.42 8.21 -51.89 0 6 -1 78 292.359 3 ↓

Analogs

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Popular Name: (3R)-1-(4-tert-butyl-3-oxo-pyrazin-2-yl)-3-methyl-piperidine-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) 1.42 8.53 -46.26 1 6 0 80 293.367 3 ↓
Mid Mid (pH 6-8) 1.42 8.18 -51.82 0 6 -1 78 292.359 3 ↓

Analogs

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Popular Name: (3S)-3-ethyl-1-(4-methyl-3-oxo-pyrazin-2-yl)piperidine-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) 0.57 7.23 -48.42 1 6 0 80 265.313 3 ↓
Mid Mid (pH 6-8) 0.57 6.88 -51.96 0 6 -1 78 264.305 3 ↓

Analogs

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Popular Name: (3R)-3-ethyl-1-(4-methyl-3-oxo-pyrazin-2-yl)piperidine-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) 0.57 7.14 -38.66 1 6 0 80 265.313 3 ↓
Mid Mid (pH 6-8) 0.57 6.8 -54.67 0 6 -1 78 264.305 3 ↓

Analogs

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Popular Name: (3S)-3-ethyl-1-(4-isopropyl-3-oxo-pyrazin-2-yl)piperidine-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) 1.31 8.6 -46.53 1 6 0 80 293.367 4 ↓
Mid Mid (pH 6-8) 1.31 8.25 -51.22 0 6 -1 78 292.359 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-1-(4-isopropyl-3-oxo-pyrazin-2-yl)piperidine-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) 1.31 8.5 -37.31 1 6 0 80 293.367 4 ↓
Mid Mid (pH 6-8) 1.31 8.17 -54.61 0 6 -1 78 292.359 4 ↓

Analogs

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Popular Name: (3S)-3-ethyl-1-(4-ethyl-3-oxo-pyrazin-2-yl)piperidine-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) 0.95 8.17 -47.96 1 6 0 80 279.34 4 ↓
Mid Mid (pH 6-8) 0.95 7.82 -51.95 0 6 -1 78 278.332 4 ↓

Analogs

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Popular Name: (3R)-3-ethyl-1-(4-ethyl-3-oxo-pyrazin-2-yl)piperidine-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) 0.95 8.08 -38.13 1 6 0 80 279.34 4 ↓
Mid Mid (pH 6-8) 0.95 7.74 -54.64 0 6 -1 78 278.332 4 ↓

Analogs

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Popular Name: (3R)-3-ethyl-1-(3-oxo-4-propyl-pyrazin-2-yl)piperidine-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) 1.45 9 -48.85 1 6 0 80 293.367 5 ↓
Mid Mid (pH 6-8) 1.45 8.66 -58.64 0 6 -1 78 292.359 5 ↓

Analogs

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Popular Name: (3S)-3-ethyl-1-(3-oxo-4-propyl-pyrazin-2-yl)piperidine-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) 1.45 8.85 -38.59 1 6 0 80 293.367 5 ↓
Mid Mid (pH 6-8) 1.45 8.48 -55.01 0 6 -1 78 292.359 5 ↓

Analogs

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Popular Name: (3S)-1-(4-methyl-3-oxo-pyrazin-2-yl)-3-propyl-piperidine-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) 1.13 7.98 -48.59 1 6 0 80 279.34 4 ↓
Mid Mid (pH 6-8) 1.13 7.63 -52.57 0 6 -1 78 278.332 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(4-methyl-3-oxo-pyrazin-2-yl)-3-propyl-piperidine-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) 1.13 7.91 -38.64 1 6 0 80 279.34 4 ↓
Mid Mid (pH 6-8) 1.13 7.57 -55.07 0 6 -1 78 278.332 4 ↓

Analogs

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Popular Name: (3S)-1-(4-ethyl-3-oxo-pyrazin-2-yl)-3-propyl-piperidine-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) 1.50 8.91 -48.16 1 6 0 80 293.367 5 ↓
Mid Mid (pH 6-8) 1.50 8.57 -52.47 0 6 -1 78 292.359 5 ↓

Analogs

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Popular Name: (3R)-1-(4-ethyl-3-oxo-pyrazin-2-yl)-3-propyl-piperidine-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) 1.50 8.84 -38.08 1 6 0 80 293.367 5 ↓
Mid Mid (pH 6-8) 1.50 8.5 -54.98 0 6 -1 78 292.359 5 ↓

Analogs

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Popular Name: 1-isopropyl-3-(1-piperidyl)pyrazin-2-one 1-isopropyl-3-(1-piperidyl)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) 1.62 6.93 -29.32 1 4 1 39 222.312 2 ↓
Mid Mid (pH 6-8) 1.62 6.57 -7.65 0 4 0 38 221.304 2 ↓

Analogs

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Popular Name: 1-ethyl-3-(1-piperidyl)pyrazin-2-one 1-ethyl-3-(1-piperidyl)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) 1.26 6.5 -30.06 1 4 1 39 208.285 2 ↓
Mid Mid (pH 6-8) 1.26 6.15 -8.11 0 4 0 38 207.277 2 ↓

Analogs

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Popular Name: 1-isobutyl-3-(1-piperidyl)pyrazin-2-one 1-isobutyl-3-(1-piperidyl)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) 2.00 7.71 -30.08 1 4 1 39 236.339 3 ↓
Mid Mid (pH 6-8) 2.00 7.35 -7.68 0 4 0 38 235.331 3 ↓

Analogs

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Popular Name: 3-(4-methyl-1-piperidyl)-1-propyl-pyrazin-2-one 3-(4-methyl-1-piperidyl)-1-propy…

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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) 2.00 7.84 -30.38 1 4 1 39 236.339 3 ↓
Mid Mid (pH 6-8) 2.00 7.49 -7.67 0 4 0 38 235.331 3 ↓

Analogs

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Popular Name: 3-(1-piperidyl)-1-propyl-pyrazin-2-one 3-(1-piperidyl)-1-propyl-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) 1.76 7.25 -30.15 1 4 1 39 222.312 3 ↓
Mid Mid (pH 6-8) 1.76 6.91 -7.85 0 4 0 38 221.304 3 ↓

Analogs

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Popular Name: 3-[(3R,4R)-3-amino-4-methyl-1-piperidyl]-1-methyl-pyrazin-2-one 3-[(3R,4R)-3-amino-4-methyl-1-pi…

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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 2.85 -46.91 3 5 1 66 223.3 1 ↓
Mid Mid (pH 6-8) -0.29 3.2 -102.6 4 5 2 67 224.308 1 ↓

Analogs

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Popular Name: 3-[(3R,4S)-3-amino-4-methyl-1-piperidyl]-1-methyl-pyrazin-2-one 3-[(3R,4S)-3-amino-4-methyl-1-pi…

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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 3.07 -46.55 3 5 1 66 223.3 1 ↓
Mid Mid (pH 6-8) -0.29 3.42 -102.77 4 5 2 67 224.308 1 ↓

Analogs

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Popular Name: 1-isobutyl-3-[4-[2-(methylamino)ethyl]-1-piperidyl]pyrazin-2-one 1-isobutyl-3-[4-[2-(methylamino)…

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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) 2.11 7.9 -43.23 2 5 1 55 293.435 6 ↓
Mid Mid (pH 6-8) 2.11 8.25 -80.8 3 5 2 56 294.443 6 ↓

Analogs

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Popular Name: 1-methyl-3-[4-[2-(methylamino)ethyl]-1-piperidyl]pyrazin-2-one 1-methyl-3-[4-[2-(methylamino)et…

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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 5.68 -44.99 2 5 1 55 251.354 4 ↓
Mid Mid (pH 6-8) 0.98 6.03 -80.94 3 5 2 56 252.362 4 ↓

Analogs

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Popular Name: 3-[4-[2-(methylamino)ethyl]-1-piperidyl]-1-propyl-pyrazin-2-one 3-[4-[2-(methylamino)ethyl]-1-pi…

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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) 1.86 7.39 -43.86 2 5 1 55 279.408 6 ↓
Mid Mid (pH 6-8) 1.86 7.73 -81.03 3 5 2 56 280.416 6 ↓

Analogs

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Popular Name: 1-isopropyl-3-[4-[2-(methylamino)ethyl]-1-piperidyl]pyrazin-2-one 1-isopropyl-3-[4-[2-(methylamino…

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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) 1.72 7.06 -43.55 2 5 1 55 279.408 5 ↓
Mid Mid (pH 6-8) 1.72 7.4 -80.25 3 5 2 56 280.416 5 ↓

Analogs

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Popular Name: 1-tert-butyl-3-[4-[2-(methylamino)ethyl]-1-piperidyl]pyrazin-2-one 1-tert-butyl-3-[4-[2-(methylamin…

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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) 2.17 7.51 -42.83 2 5 1 55 293.435 5 ↓
Mid Mid (pH 6-8) 2.17 7.86 -79.67 3 5 2 56 294.443 5 ↓

Analogs

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Popular Name: 1-ethyl-3-[4-[2-(methylamino)ethyl]-1-piperidyl]pyrazin-2-one 1-ethyl-3-[4-[2-(methylamino)eth…

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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) 1.36 6.63 -44.03 2 5 1 55 265.381 5 ↓
Mid Mid (pH 6-8) 1.36 6.97 -80.83 3 5 2 56 266.389 5 ↓

Analogs

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Popular Name: 1-ethyl-3-[(2R)-2-[2-(methylamino)ethyl]-1-piperidyl]pyrazin-2-one 1-ethyl-3-[(2R)-2-[2-(methylamin…

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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) 1.30 7.29 -43.94 2 5 1 55 265.381 5 ↓
Mid Mid (pH 6-8) 1.30 6.32 -97.7 3 5 2 56 266.389 5 ↓

Parameters Provided:

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filter.purchasability = annotated
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page.num = 1

Structural Results Found: (before additional filtering)

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