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Analogs

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Popular Name: 3-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanoic 3-[(2R)-2-(pyrazol-1-ylmethyl)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) 0.32 5.67 -49.27 1 5 0 62 223.276 5 ↓

Analogs

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Popular Name: 3-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanoic 3-[(2S)-2-(pyrazol-1-ylmethyl)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) 0.32 6.04 -52.44 1 5 0 62 223.276 5 ↓

Analogs

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Popular Name: 3-[(2S)-2-[(1S)-1-pyrazol-1-ylethyl]pyrrolidin-1-yl]propanoic 3-[(2S)-2-[(1S)-1-pyrazol-1-ylet…

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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) 0.69 6.54 -55.93 1 5 0 62 237.303 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2S)-2-[(1R)-1-pyrazol-1-ylethyl]pyrrolidin-1-yl]propanoic 3-[(2S)-2-[(1R)-1-pyrazol-1-ylet…

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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) 0.69 6.65 -47.83 1 5 0 62 237.303 5 ↓

Analogs

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Popular Name: 3-[(2R)-2-[(1S)-1-pyrazol-1-ylethyl]pyrrolidin-1-yl]propanoic 3-[(2R)-2-[(1S)-1-pyrazol-1-ylet…

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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) 0.69 6.58 -47.57 1 5 0 62 237.303 5 ↓

Analogs

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Popular Name: 3-[(2R)-2-[(1R)-1-pyrazol-1-ylethyl]pyrrolidin-1-yl]propanoic 3-[(2R)-2-[(1R)-1-pyrazol-1-ylet…

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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) 0.69 6.16 -53.03 1 5 0 62 237.303 5 ↓

Analogs

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Popular Name: 3-[(2S)-2-[(1S)-1-(3-methylpyrazol-1-yl)ethyl]pyrrolidin-1-yl]propanoic 3-[(2S)-2-[(1S)-1-(3-methylpyraz…

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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) 0.91 1.51 -58.55 1 5 0 62 251.33 5 ↓

Analogs

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Popular Name: 3-[(2S)-2-[(1R)-1-(3-methylpyrazol-1-yl)ethyl]pyrrolidin-1-yl]propanoic 3-[(2S)-2-[(1R)-1-(3-methylpyraz…

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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) 0.91 1.62 -48.08 1 5 0 62 251.33 5 ↓

Analogs

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Popular Name: 3-[(2R)-2-[(1S)-1-(3-methylpyrazol-1-yl)ethyl]pyrrolidin-1-yl]propanoic 3-[(2R)-2-[(1S)-1-(3-methylpyraz…

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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) 0.91 1.54 -47.74 1 5 0 62 251.33 5 ↓

Analogs

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Popular Name: 3-[(2R)-2-[(1R)-1-(3-methylpyrazol-1-yl)ethyl]pyrrolidin-1-yl]propanoic 3-[(2R)-2-[(1R)-1-(3-methylpyraz…

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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) 0.91 1.57 -50.58 1 5 0 62 251.33 5 ↓

Analogs

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Popular Name: 2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanamine 2-[(2R)-2-(pyrazol-1-ylmethyl)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) -0.39 1.45 -40.24 3 4 1 49 195.29 4 ↓
Hi High (pH 8-9.5) -0.39 3.18 -32.84 3 4 1 48 195.29 4 ↓
Lo Low (pH 4.5-6) -0.39 3.57 -106.89 4 4 2 50 196.298 4 ↓

Analogs

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Popular Name: 2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanamine 2-[(2S)-2-(pyrazol-1-ylmethyl)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) -0.39 0.88 -50.25 3 4 1 49 195.29 4 ↓
Hi High (pH 8-9.5) -0.39 2.81 -36.48 3 4 1 48 195.29 4 ↓
Lo Low (pH 4.5-6) -0.39 3.18 -123.35 4 4 2 50 196.298 4 ↓

Analogs

43988651
43988651
43988655
43988655
43988659
43988659
43988663
43988663
43989192
43989192

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-2-[(1S)-1-pyrazol-1-ylethyl]pyrrolidin-1-yl]ethanamine 2-[(2S)-2-[(1S)-1-pyrazol-1-ylet…

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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) -0.03 2.01 -45.74 3 4 1 49 209.317 4 ↓
Hi High (pH 8-9.5) -0.03 3.42 -36.53 3 4 1 48 209.317 4 ↓
Lo Low (pH 4.5-6) -0.03 3.81 -118.53 4 4 2 50 210.325 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-2-[(1R)-1-pyrazol-1-ylethyl]pyrrolidin-1-yl]ethanamine 2-[(2S)-2-[(1R)-1-pyrazol-1-ylet…

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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) -0.03 2.39 -50.63 3 4 1 49 209.317 4 ↓
Hi High (pH 8-9.5) -0.03 3.77 -36.16 3 4 1 48 209.317 4 ↓
Lo Low (pH 4.5-6) -0.03 4.16 -124.57 4 4 2 50 210.325 4 ↓

Analogs

43989152
43989152
43989156
43989156
43989160
43989160
43989164
43989164

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R)-2-[(1S)-1-pyrazol-1-ylethyl]pyrrolidin-1-yl]ethanamine 2-[(2R)-2-[(1S)-1-pyrazol-1-ylet…

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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) -0.03 2.5 -49.87 3 4 1 49 209.317 4 ↓
Hi High (pH 8-9.5) -0.03 3.91 -36.67 3 4 1 48 209.317 4 ↓
Lo Low (pH 4.5-6) -0.03 4.29 -125.05 4 4 2 50 210.325 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R)-2-[(1R)-1-pyrazol-1-ylethyl]pyrrolidin-1-yl]ethanamine 2-[(2R)-2-[(1R)-1-pyrazol-1-ylet…

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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) -0.03 1.71 -44.72 3 4 1 49 209.317 4 ↓
Hi High (pH 8-9.5) -0.03 3.22 -35.95 3 4 1 48 209.317 4 ↓
Lo Low (pH 4.5-6) -0.03 3.6 -118.05 4 4 2 50 210.325 4 ↓

Analogs

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Popular Name: 2-[(2S)-2-[(1S)-1-(3-methylpyrazol-1-yl)ethyl]pyrrolidin-1-yl]ethanamine 2-[(2S)-2-[(1S)-1-(3-methylpyraz…

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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) 0.20 2.61 -46.09 3 4 1 49 223.344 4 ↓
Hi High (pH 8-9.5) 0.20 4.01 -36.67 3 4 1 48 223.344 4 ↓
Lo Low (pH 4.5-6) 0.20 4.4 -118.86 4 4 2 50 224.352 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-2-[(1R)-1-(3-methylpyrazol-1-yl)ethyl]pyrrolidin-1-yl]ethanamine 2-[(2S)-2-[(1R)-1-(3-methylpyraz…

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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) 0.20 2.96 -51.07 3 4 1 49 223.344 4 ↓
Hi High (pH 8-9.5) 0.20 4.34 -36.86 3 4 1 48 223.344 4 ↓
Lo Low (pH 4.5-6) 0.20 4.74 -125.12 4 4 2 50 224.352 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R)-2-[(1S)-1-(3-methylpyrazol-1-yl)ethyl]pyrrolidin-1-yl]ethanamine 2-[(2R)-2-[(1S)-1-(3-methylpyraz…

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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) 0.20 3.1 -50.32 3 4 1 49 223.344 4 ↓
Hi High (pH 8-9.5) 0.20 4.49 -36.7 3 4 1 48 223.344 4 ↓
Lo Low (pH 4.5-6) 0.20 4.88 -125.52 4 4 2 50 224.352 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R)-2-[(1R)-1-(3-methylpyrazol-1-yl)ethyl]pyrrolidin-1-yl]ethanamine 2-[(2R)-2-[(1R)-1-(3-methylpyraz…

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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) 0.20 1.52 -48.49 3 4 1 49 223.344 4 ↓
Hi High (pH 8-9.5) 0.20 4.22 -33.59 3 4 1 48 223.344 4 ↓
Lo Low (pH 4.5-6) 0.20 4.61 -106.02 4 4 2 50 224.352 4 ↓

Analogs

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Popular Name: 1-[[(2R)-1-(2-methylsulfonylethyl)pyrrolidin-2-yl]methyl]pyrazole 1-[[(2R)-1-(2-methylsulfonylethy…

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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) 0.21 1.58 -16.56 0 5 0 55 257.359 5 ↓
Mid Mid (pH 6-8) 0.21 3.77 -48.85 1 5 1 56 258.367 5 ↓

Analogs

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Popular Name: 1-[[(2S)-1-(2-methylsulfonylethyl)pyrrolidin-2-yl]methyl]pyrazole 1-[[(2S)-1-(2-methylsulfonylethy…

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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) 0.21 2.29 -14.94 0 5 0 55 257.359 5 ↓
Mid Mid (pH 6-8) 0.21 4.21 -42.32 1 5 1 56 258.367 5 ↓

Analogs

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Popular Name: N,N-bis(cyanomethyl)-3-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide N,N-bis(cyanomethyl)-3-[(2S)-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) 0.00 8.37 -47.38 1 7 1 90 301.374 7 ↓
Mid Mid (pH 6-8) 0.00 6.46 -18.59 0 7 0 89 300.366 7 ↓

Analogs

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Popular Name: N,N-bis(cyanomethyl)-3-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide N,N-bis(cyanomethyl)-3-[(2R)-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) 0.00 7.93 -54.66 1 7 1 90 301.374 7 ↓
Mid Mid (pH 6-8) 0.00 5.81 -20.87 0 7 0 89 300.366 7 ↓

Analogs

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Popular Name: 3,5-dimethyl-1-[[(2R)-1-propylpyrrolidin-2-yl]methyl]pyrazole 3,5-dimethyl-1-[[(2R)-1-propylpy…

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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) 2.13 8.15 -29.14 1 3 1 22 222.356 4 ↓
Hi High (pH 8-9.5) 2.13 5.87 -6.02 0 3 0 21 221.348 4 ↓

Analogs

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Popular Name: 3,5-dimethyl-1-[[(2S)-1-propylpyrrolidin-2-yl]methyl]pyrazole 3,5-dimethyl-1-[[(2S)-1-propylpy…

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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) 2.13 8.06 -33.35 1 3 1 22 222.356 4 ↓
Hi High (pH 8-9.5) 2.13 6.53 -5.18 0 3 0 21 221.348 4 ↓

Analogs

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Popular Name: 1-[[(2S)-1-allylpyrrolidin-2-yl]methyl]-3,5-dimethyl-pyrazole 1-[[(2S)-1-allylpyrrolidin-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) 1.89 7.97 -28.78 1 3 1 22 220.34 4 ↓
Mid Mid (pH 6-8) 1.89 5.69 -6.28 0 3 0 21 219.332 4 ↓

Analogs

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Popular Name: 1-[[(2R)-1-allylpyrrolidin-2-yl]methyl]-3,5-dimethyl-pyrazole 1-[[(2R)-1-allylpyrrolidin-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) 1.89 7.95 -32.47 1 3 1 22 220.34 4 ↓
Mid Mid (pH 6-8) 1.89 6.38 -5.14 0 3 0 21 219.332 4 ↓

Analogs

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Popular Name: N,N-dimethyl-3-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propane-1-sulfonamide N,N-dimethyl-3-[(2R)-2-(pyrazol-…

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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) 0.48 5.06 -43.58 1 6 1 60 301.436 7 ↓
Hi High (pH 8-9.5) 0.48 2.88 -12.46 0 6 0 58 300.428 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-dimethyl-3-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propane-1-sulfonamide N,N-dimethyl-3-[(2S)-2-(pyrazol-…

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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) 0.48 5.5 -40.84 1 6 1 60 301.436 7 ↓
Hi High (pH 8-9.5) 0.48 3.58 -13.82 0 6 0 58 300.428 7 ↓

Analogs

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Popular Name: 1-[[(2R)-1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]methyl]pyrazole 1-[[(2R)-1-(3-methylsulfonylprop…

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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) 0.48 4.56 -44.46 1 5 1 56 272.394 6 ↓
Hi High (pH 8-9.5) 0.48 2.37 -14.7 0 5 0 55 271.386 6 ↓

Analogs

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Popular Name: 1-[[(2S)-1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]methyl]pyrazole 1-[[(2S)-1-(3-methylsulfonylprop…

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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) 0.48 4.99 -42 1 5 1 56 272.394 6 ↓
Hi High (pH 8-9.5) 0.48 3.08 -16.2 0 5 0 55 271.386 6 ↓

Analogs

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Popular Name: 3-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propane-1-sulfonamide 3-[(2S)-2-[(3,5-dimethylpyrazol-…

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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 3.14 -45.05 3 6 1 82 301.436 6 ↓
Hi High (pH 8-9.5) 0.31 0.87 -16.64 2 6 0 81 300.428 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propane-1-sulfonamide 3-[(2R)-2-[(3,5-dimethylpyrazol-…

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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 3.06 -47.4 3 6 1 82 301.436 6 ↓
Hi High (pH 8-9.5) 0.31 1.46 -14.19 2 6 0 81 300.428 6 ↓

Analogs

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Popular Name: (2S)-2-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]hexanamide (2S)-2-[(2R)-2-[(3,5-dimethylpyr…

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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) 2.47 5.36 -35.33 3 5 1 65 293.435 7 ↓
Hi High (pH 8-9.5) 2.47 3.35 -7.82 2 5 0 64 292.427 7 ↓

Analogs

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Popular Name: (2R)-2-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]hexanamide (2R)-2-[(2R)-2-[(3,5-dimethylpyr…

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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) 2.47 6.13 -28.01 3 5 1 65 293.435 7 ↓
Hi High (pH 8-9.5) 2.47 4.32 -7.01 2 5 0 64 292.427 7 ↓

Analogs

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Popular Name: 4-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]butanenitrile 4-[(2S)-2-(pyrazol-1-ylmethyl)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) 0.54 7.91 -39.76 1 4 1 46 219.312 5 ↓
Mid Mid (pH 6-8) 0.54 6.01 -9.43 0 4 0 45 218.304 5 ↓

Analogs

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Popular Name: 4-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]butanenitrile 4-[(2R)-2-(pyrazol-1-ylmethyl)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) 0.54 7.48 -43.02 1 4 1 46 219.312 5 ↓
Mid Mid (pH 6-8) 0.54 5.35 -8.61 0 4 0 45 218.304 5 ↓

Analogs

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Popular Name: 3-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propane-1-sulfonamide 3-[(2S)-2-[(4-methylpyrazol-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) 0.24 3.08 -43.3 3 6 1 82 287.409 6 ↓
Hi High (pH 8-9.5) 0.24 1.18 -15.46 2 6 0 81 286.401 6 ↓

Analogs

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Popular Name: 3-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propane-1-sulfonamide 3-[(2R)-2-[(4-methylpyrazol-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) 0.24 2.65 -45.99 3 6 1 82 287.409 6 ↓
Hi High (pH 8-9.5) 0.24 0.51 -14.25 2 6 0 81 286.401 6 ↓

Analogs

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Popular Name: N-[3-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-oxo-propyl]methanesulfonamide N-[3-[(2S)-2-[(4-methylpyrazol-1…

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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) -0.06 2.2 -21.16 1 7 0 84 314.411 6 ↓

Analogs

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Popular Name: N-[3-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-oxo-propyl]methanesulfonamide N-[3-[(2R)-2-[(4-methylpyrazol-1…

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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) -0.06 2.74 -17.14 1 7 0 84 314.411 6 ↓

Analogs

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Popular Name: N-[(1R)-1-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-3-methoxy-propyl]acetami N-[(1R)-1-[(2S)-2-[(3,5-dimethyl…

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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 5.55 -27.46 1 7 0 76 336.436 7 ↓

Analogs

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Popular Name: N-[(1R)-1-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-3-methoxy-propyl]acetami N-[(1R)-1-[(2R)-2-[(3,5-dimethyl…

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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 5.73 -18.34 1 7 0 76 336.436 7 ↓

Analogs

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Popular Name: N-[(1S)-1-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-3-methoxy-propyl]acetami N-[(1S)-1-[(2S)-2-[(3,5-dimethyl…

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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 5.47 -25.02 1 7 0 76 336.436 7 ↓

Analogs

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Popular Name: N-[(1S)-1-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-3-methoxy-propyl]acetami N-[(1S)-1-[(2R)-2-[(3,5-dimethyl…

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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 5.81 -18.5 1 7 0 76 336.436 7 ↓

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Popular Name: 1-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one 1-[(2S)-2-(pyrazol-1-ylmethyl)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) 1.31 5.92 -12.83 0 5 0 47 305.3 7 ↓

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Popular Name: 1-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one 1-[(2R)-2-(pyrazol-1-ylmethyl)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) 1.31 6.45 -10.67 0 5 0 47 305.3 7 ↓

Analogs

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Popular Name: 3,5-dimethyl-1-[[(2S)-1-(2-methylsulfonylethyl)pyrrolidin-2-yl]methyl]pyrazole 3,5-dimethyl-1-[[(2S)-1-(2-methy…

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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 2.65 -15.56 0 5 0 55 285.413 5 ↓
Mid Mid (pH 6-8) 0.65 4.92 -43.1 1 5 1 56 286.421 5 ↓

Analogs

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Popular Name: 3,5-dimethyl-1-[[(2R)-1-(2-methylsulfonylethyl)pyrrolidin-2-yl]methyl]pyrazole 3,5-dimethyl-1-[[(2R)-1-(2-methy…

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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 3.25 -18.15 0 5 0 55 285.413 5 ↓
Mid Mid (pH 6-8) 0.65 4.84 -50.78 1 5 1 56 286.421 5 ↓

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