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Analogs

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Popular Name: [(3R)-1-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]methanamine [(3R)-1-[(1R)-1-(1,3,5-trimethyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.43 3.11 -48.8 3 4 1 49 237.371 3 ↓
Mid Mid (pH 6-8) 0.43 4.56 -34.75 3 4 1 48 237.371 3 ↓

Analogs

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Popular Name: [(3R)-1-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]methanamine [(3R)-1-[(1S)-1-(1,3,5-trimethyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.43 3.76 -50.08 3 4 1 49 237.371 3 ↓
Mid Mid (pH 6-8) 0.43 4.52 -36.08 3 4 1 48 237.371 3 ↓

Analogs

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Popular Name: [(3R)-1-[(1R)-1-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)ethyl]pyrrolidin-3-yl]methanamine [(3R)-1-[(1R)-1-(1-ethyl-3,5-dim…

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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 4.66 -48.81 3 4 1 49 251.398 4 ↓
Mid Mid (pH 6-8) 0.80 5.39 -35.31 3 4 1 48 251.398 4 ↓

Analogs

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Popular Name: [(3R)-1-[(1S)-1-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)ethyl]pyrrolidin-3-yl]methanamine [(3R)-1-[(1S)-1-(1-ethyl-3,5-dim…

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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 3.97 -49.33 3 4 1 49 251.398 4 ↓
Mid Mid (pH 6-8) 0.80 5.45 -34.11 3 4 1 48 251.398 4 ↓

Analogs

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Popular Name: [(3R)-1-[(1R)-1-(1-ethylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]methanamine [(3R)-1-[(1R)-1-(1-ethylpyrazol-…

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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) 0.36 2.41 -47.06 3 4 1 49 223.344 4 ↓
Mid Mid (pH 6-8) 0.36 4.37 -35.37 3 4 1 48 223.344 4 ↓

Analogs

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Popular Name: [(3R)-1-[(1S)-1-(1-ethylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]methanamine [(3R)-1-[(1S)-1-(1-ethylpyrazol-…

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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) 0.36 2.41 -48.04 3 4 1 49 223.344 4 ↓
Mid Mid (pH 6-8) 0.36 4.43 -35.2 3 4 1 48 223.344 4 ↓

Analogs

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Popular Name: [(3R)-1-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]methanamine [(3R)-1-[(1S)-1-(1-methylpyrazol…

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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) -0.02 1.54 -48.33 3 4 1 49 209.317 3 ↓
Mid Mid (pH 6-8) -0.02 3.55 -34.9 3 4 1 48 209.317 3 ↓

Analogs

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Popular Name: [(3R)-1-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]methanamine [(3R)-1-[(1R)-1-(1-methylpyrazol…

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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) -0.02 1.55 -47.19 3 4 1 49 209.317 3 ↓
Mid Mid (pH 6-8) -0.02 3.52 -34.96 3 4 1 48 209.317 3 ↓

Analogs

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Popular Name: N-[[(2S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]ethanamine N-[[(2S)-1-[(1-methylpyrazol-4-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) 0.32 4.41 -38.32 2 4 1 38 223.344 5 ↓
Mid Mid (pH 6-8) 0.32 6.22 -114.44 3 4 2 39 224.352 5 ↓

Analogs

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Popular Name: N-[[(2R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]ethanamine N-[[(2R)-1-[(1-methylpyrazol-4-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) 0.32 4.54 -42.31 2 4 1 38 223.344 5 ↓
Mid Mid (pH 6-8) 0.32 6.31 -118.02 3 4 2 39 224.352 5 ↓

Analogs

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Popular Name: N-[[(2S)-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]ethanamine N-[[(2S)-1-[(1-ethylpyrazol-4-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) 0.70 5.27 -37.96 2 4 1 38 237.371 6 ↓
Mid Mid (pH 6-8) 0.70 7.07 -114.4 3 4 2 39 238.379 6 ↓

Analogs

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Popular Name: N-[[(2R)-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]ethanamine N-[[(2R)-1-[(1-ethylpyrazol-4-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) 0.70 5.4 -42.27 2 4 1 38 237.371 6 ↓
Mid Mid (pH 6-8) 0.70 7.17 -118.38 3 4 2 39 238.379 6 ↓

Analogs

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Popular Name: N-[[(2S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine N-[[(2S)-1-[(1-methylpyrazol-4-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) 0.82 5.16 -39.16 2 4 1 38 237.371 6 ↓
Mid Mid (pH 6-8) 0.82 6.96 -116.94 3 4 2 39 238.379 6 ↓

Analogs

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Popular Name: N-[[(2R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine N-[[(2R)-1-[(1-methylpyrazol-4-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) 0.82 5.29 -43.16 2 4 1 38 237.371 6 ↓
Mid Mid (pH 6-8) 0.82 7.06 -120.53 3 4 2 39 238.379 6 ↓

Analogs

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Popular Name: N-[[(2S)-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine N-[[(2S)-1-[(1-ethylpyrazol-4-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) 1.20 6.02 -38.74 2 4 1 38 251.398 7 ↓
Mid Mid (pH 6-8) 1.20 7.82 -116.94 3 4 2 39 252.406 7 ↓

Analogs

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Popular Name: N-[[(2R)-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine N-[[(2R)-1-[(1-ethylpyrazol-4-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) 1.20 6.16 -43.22 2 4 1 38 251.398 7 ↓
Mid Mid (pH 6-8) 1.20 7.93 -120.97 3 4 2 39 252.406 7 ↓

Analogs

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Popular Name: N-[[(2S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine N-[[(2S)-1-[(1-methylpyrazol-4-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 4.94 -37.38 2 4 1 38 237.371 5 ↓
Mid Mid (pH 6-8) 0.97 6.75 -113.77 3 4 2 39 238.379 5 ↓

Analogs

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Popular Name: N-[[(2R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine N-[[(2R)-1-[(1-methylpyrazol-4-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 5.07 -40.85 2 4 1 38 237.371 5 ↓
Mid Mid (pH 6-8) 0.97 6.83 -117.06 3 4 2 39 238.379 5 ↓

Analogs

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Popular Name: N-[[(2R)-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine N-[[(2R)-1-[(1-ethylpyrazol-4-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) 1.34 5.81 -40.5 2 4 1 38 251.398 6 ↓
Mid Mid (pH 6-8) 1.34 7.59 -117.91 3 4 2 39 252.406 6 ↓

Analogs

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Popular Name: N-[[(2S)-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine N-[[(2S)-1-[(1-ethylpyrazol-4-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) 1.34 5.94 -37.21 2 4 1 38 251.398 6 ↓
Mid Mid (pH 6-8) 1.34 7.69 -113.71 3 4 2 39 252.406 6 ↓

Analogs

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Popular Name: 2-methyl-N-[[(2S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine 2-methyl-N-[[(2S)-1-[(1-methylpy…

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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) 1.48 5.36 -35.81 2 4 1 38 251.398 5 ↓
Mid Mid (pH 6-8) 1.48 7.18 -112.57 3 4 2 39 252.406 5 ↓

Analogs

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Popular Name: 2-methyl-N-[[(2R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine 2-methyl-N-[[(2R)-1-[(1-methylpy…

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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) 1.48 4.29 -41.22 2 4 1 38 251.398 5 ↓
Mid Mid (pH 6-8) 1.48 6.57 -112.3 3 4 2 39 252.406 5 ↓

Analogs

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Popular Name: N-[[(2R)-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-2-methyl-propan-2-amine N-[[(2R)-1-[(1-ethylpyrazol-4-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) 1.86 5.12 -40.83 2 4 1 38 265.425 6 ↓
Mid Mid (pH 6-8) 1.86 7.43 -112.25 3 4 2 39 266.433 6 ↓

Analogs

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Popular Name: N-[[(2S)-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-2-methyl-propan-2-amine N-[[(2S)-1-[(1-ethylpyrazol-4-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) 1.86 6.36 -35.6 2 4 1 38 265.425 6 ↓
Mid Mid (pH 6-8) 1.86 8.12 -112.75 3 4 2 39 266.433 6 ↓

Analogs

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Popular Name: 2-methyl-N-[[(2S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine 2-methyl-N-[[(2S)-1-[(1-methylpy…

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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) 1.06 5.86 -39.07 2 4 1 38 251.398 6 ↓
Mid Mid (pH 6-8) 1.06 7.67 -117.67 3 4 2 39 252.406 6 ↓

Analogs

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Popular Name: 2-methyl-N-[[(2R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine 2-methyl-N-[[(2R)-1-[(1-methylpy…

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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) 1.06 5.98 -42.9 2 4 1 38 251.398 6 ↓
Mid Mid (pH 6-8) 1.06 7.74 -121.58 3 4 2 39 252.406 6 ↓

Analogs

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Popular Name: N-[[(2R)-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-2-methyl-propan-1-amine N-[[(2R)-1-[(1-ethylpyrazol-4-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) 1.44 6.73 -42.55 2 4 1 38 265.425 7 ↓
Mid Mid (pH 6-8) 1.44 8.51 -122.08 3 4 2 39 266.433 7 ↓

Analogs

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Popular Name: N-[[(2S)-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-2-methyl-propan-1-amine N-[[(2S)-1-[(1-ethylpyrazol-4-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) 1.44 6.85 -38.9 2 4 1 38 265.425 7 ↓
Mid Mid (pH 6-8) 1.44 8.62 -117.71 3 4 2 39 266.433 7 ↓

Analogs

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Popular Name: 2-methoxy-N-[[(2R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]ethanamine 2-methoxy-N-[[(2R)-1-[(1-methylp…

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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) -0.07 3.56 -41.95 2 5 1 47 253.37 7 ↓
Hi High (pH 8-9.5) -0.07 1.79 -6.69 1 5 0 42 252.362 7 ↓
Lo Low (pH 4.5-6) -0.07 5.34 -116.44 3 5 2 48 254.378 7 ↓

Analogs

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Popular Name: 2-methoxy-N-[[(2S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]ethanamine 2-methoxy-N-[[(2S)-1-[(1-methylp…

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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) -0.07 3.68 -37.74 2 5 1 47 253.37 7 ↓
Hi High (pH 8-9.5) -0.07 2.29 -6.25 1 5 0 42 252.362 7 ↓
Lo Low (pH 4.5-6) -0.07 5.46 -114.05 3 5 2 48 254.378 7 ↓

Analogs

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Popular Name: N-[[(2R)-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-2-methoxy-ethanamine N-[[(2R)-1-[(1-ethylpyrazol-4-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) 0.30 4.43 -41.86 2 5 1 47 267.397 8 ↓
Hi High (pH 8-9.5) 0.30 2.65 -6.47 1 5 0 42 266.389 8 ↓
Lo Low (pH 4.5-6) 0.30 6.21 -116.77 3 5 2 48 268.405 8 ↓

Analogs

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Popular Name: N-[[(2S)-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-2-methoxy-ethanamine N-[[(2S)-1-[(1-ethylpyrazol-4-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) 0.30 4.54 -37.41 2 5 1 47 267.397 8 ↓
Hi High (pH 8-9.5) 0.30 3.14 -6.07 1 5 0 42 266.389 8 ↓
Lo Low (pH 4.5-6) 0.30 6.32 -114.03 3 5 2 48 268.405 8 ↓

Analogs

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Popular Name: (3R)-1-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[(1-ethylpyrazol-4-yl)met…

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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) 0.49 7.27 -50.35 1 5 0 62 237.303 4 ↓
Hi High (pH 8-9.5) 0.49 4.79 -47.25 0 5 -1 61 236.295 4 ↓

Analogs

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Popular Name: (3S)-1-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[(1-ethylpyrazol-4-yl)met…

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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) 0.49 7.27 -49.03 1 5 0 62 237.303 4 ↓
Hi High (pH 8-9.5) 0.49 4.77 -46.73 0 5 -1 61 236.295 4 ↓

Analogs

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Popular Name: (3R)-1-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[(5-chloro-1,3-dimethyl-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) 1.13 7.07 -46.19 1 5 0 62 271.748 3 ↓
Hi High (pH 8-9.5) 1.13 4.59 -45.62 0 5 -1 61 270.74 3 ↓

Analogs

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Popular Name: (3S)-1-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[(5-chloro-1,3-dimethyl-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) 1.13 7.06 -44.48 1 5 0 62 271.748 3 ↓
Hi High (pH 8-9.5) 1.13 4.57 -45.34 0 5 -1 61 270.74 3 ↓

Analogs

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Popular Name: (3S)-3-methyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-3-carboxylic (3S)-3-methyl-1-[(1-methylpyrazo…

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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 6.39 -49.46 1 5 0 62 223.276 3 ↓
Hi High (pH 8-9.5) 0.11 3.85 -46.78 0 5 -1 61 222.268 3 ↓

Analogs

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Popular Name: (3R)-3-methyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-3-carboxylic (3R)-3-methyl-1-[(1-methylpyrazo…

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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 6.37 -50.47 1 5 0 62 223.276 3 ↓
Hi High (pH 8-9.5) 0.11 3.84 -47.68 0 5 -1 61 222.268 3 ↓

Analogs

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Popular Name: (3S)-3-ethyl-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidine-3-carboxylic (3S)-3-ethyl-1-[(1-ethylpyrazol-…

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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) 0.82 7.76 -45.79 1 5 0 62 251.33 5 ↓
Hi High (pH 8-9.5) 0.82 5.23 -49.36 0 5 -1 61 250.322 5 ↓

Analogs

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Popular Name: (3R)-3-ethyl-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidine-3-carboxylic (3R)-3-ethyl-1-[(1-ethylpyrazol-…

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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) 0.82 7.71 -50.42 1 5 0 62 251.33 5 ↓
Hi High (pH 8-9.5) 0.82 5.25 -50.3 0 5 -1 61 250.322 5 ↓

Analogs

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Popular Name: (3S)-1-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-[(5-chloro-1,3-dimethyl-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) 1.47 7.54 -45.03 1 5 0 62 285.775 4 ↓
Hi High (pH 8-9.5) 1.47 5 -50.23 0 5 -1 61 284.767 4 ↓

Analogs

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Popular Name: (3R)-1-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-[(5-chloro-1,3-dimethyl-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) 1.47 7.49 -43.23 1 5 0 62 285.775 4 ↓
Hi High (pH 8-9.5) 1.47 4.96 -44.26 0 5 -1 61 284.767 4 ↓

Analogs

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Popular Name: (3S)-1-[(1-ethylpyrazol-4-yl)methyl]-3-propyl-pyrrolidine-3-carboxylic (3S)-1-[(1-ethylpyrazol-4-yl)met…

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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) 1.38 8.53 -45.75 1 5 0 62 265.357 6 ↓
Hi High (pH 8-9.5) 1.38 5.99 -49.76 0 5 -1 61 264.349 6 ↓

Analogs

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Popular Name: (3R)-1-[(1-ethylpyrazol-4-yl)methyl]-3-propyl-pyrrolidine-3-carboxylic (3R)-1-[(1-ethylpyrazol-4-yl)met…

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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) 1.38 8.47 -50.51 1 5 0 62 265.357 6 ↓
Hi High (pH 8-9.5) 1.38 6 -50.78 0 5 -1 61 264.349 6 ↓

Analogs

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Popular Name: (3S)-1-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-3-propyl-pyrrolidine-3-carboxylic (3S)-1-[(5-chloro-1,3-dimethyl-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) 2.03 8.31 -45.04 1 5 0 62 299.802 5 ↓
Hi High (pH 8-9.5) 2.03 5.78 -50.69 0 5 -1 61 298.794 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-3-propyl-pyrrolidine-3-carboxylic (3R)-1-[(5-chloro-1,3-dimethyl-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) 2.03 8.25 -43.17 1 5 0 62 299.802 5 ↓
Hi High (pH 8-9.5) 2.03 5.72 -44.76 0 5 -1 61 298.794 5 ↓

Analogs

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Popular Name: (3S)-1-[(1S)-2-amino-1-(1-methylpyrazol-4-yl)ethyl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[(1S)-2-amino-1-(1-methyl…

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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) -0.74 1.89 -98.01 4 5 2 53 239.367 4 ↓
Hi High (pH 8-9.5) -0.74 -0.02 -5.87 2 5 0 50 237.351 4 ↓
Mid Mid (pH 6-8) -0.74 -0.5 -46.38 3 5 1 52 238.359 4 ↓

Analogs

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Popular Name: (3S)-1-[(1R)-2-amino-1-(1-methylpyrazol-4-yl)ethyl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[(1R)-2-amino-1-(1-methyl…

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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) -0.74 2.06 -92.84 4 5 2 53 239.367 4 ↓
Hi High (pH 8-9.5) -0.74 -0.48 -5.24 2 5 0 50 237.351 4 ↓
Mid Mid (pH 6-8) -0.74 -0.33 -47.98 3 5 1 52 238.359 4 ↓

Analogs

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Popular Name: (3S)-1-[(1R,2S)-2-amino-1-(1-methylpyrazol-4-yl)propyl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[(1R,2S)-2-amino-1-(1-met…

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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 2.25 -88.17 4 5 2 53 253.394 4 ↓
Hi High (pH 8-9.5) -0.34 -0.45 -4.37 2 5 0 50 251.378 4 ↓
Mid Mid (pH 6-8) -0.34 -0.15 -42.31 3 5 1 52 252.386 4 ↓

Analogs

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Popular Name: (3S)-1-[(1R,2R)-2-amino-1-(1-methylpyrazol-4-yl)propyl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[(1R,2R)-2-amino-1-(1-met…

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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 2.14 -92.61 4 5 2 53 253.394 4 ↓
Hi High (pH 8-9.5) -0.34 -0.61 -4.76 2 5 0 50 251.378 4 ↓
Mid Mid (pH 6-8) -0.34 0.45 -39.3 3 5 1 52 252.386 4 ↓

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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Structural Results Found: (before additional filtering)

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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 = 10296 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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