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Analogs

37984343
37984343
37984354
37984354
37984355
37984355

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-4-[(2S)-2-(2,2-dimethylpropyl)pyrrolidin-1-yl]sulfonyl-1-methyl-imidazole 5-chloro-4-[(2S)-2-(2,2-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) 2.76 5.84 -13.53 0 5 0 55 319.858 4 ↓

Analogs

37984343
37984343
37984354
37984354
37984355
37984355

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-4-[(2R)-2-(2,2-dimethylpropyl)pyrrolidin-1-yl]sulfonyl-1-methyl-imidazole 5-chloro-4-[(2R)-2-(2,2-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) 2.76 6.19 -14.04 0 5 0 55 319.858 4 ↓

Analogs

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Popular Name: (3R)-1-(1,2-dimethylimidazol-4-yl)sulfonyl-3-methyl-pyrrolidine-3-carboxylic (3R)-1-(1,2-dimethylimidazol-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 3.49 -57.3 0 7 -1 95 286.333 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(1,2-dimethylimidazol-4-yl)sulfonyl-3-methyl-pyrrolidine-3-carboxylic (3S)-1-(1,2-dimethylimidazol-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 3.52 -55.45 0 7 -1 95 286.333 3 ↓

Analogs

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Popular Name: (3R)-3-methyl-1-(2-methyl-1-propyl-imidazol-4-yl)sulfonyl-pyrrolidine-3-carboxylic (3R)-3-methyl-1-(2-methyl-1-prop…

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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) 0.55 5.11 -56.14 0 7 -1 95 314.387 5 ↓

Analogs

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Popular Name: (3S)-3-methyl-1-(2-methyl-1-propyl-imidazol-4-yl)sulfonyl-pyrrolidine-3-carboxylic (3S)-3-methyl-1-(2-methyl-1-prop…

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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) 0.55 5.14 -54.29 0 7 -1 95 314.387 5 ↓

Analogs

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Popular Name: (3R)-1-(1-ethyl-2-methyl-imidazol-4-yl)sulfonyl-3-methyl-pyrrolidine-3-carboxylic (3R)-1-(1-ethyl-2-methyl-imidazo…

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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) 0.05 4.36 -56.77 0 7 -1 95 300.36 4 ↓

Analogs

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Popular Name: (3S)-1-(1-ethyl-2-methyl-imidazol-4-yl)sulfonyl-3-methyl-pyrrolidine-3-carboxylic (3S)-1-(1-ethyl-2-methyl-imidazo…

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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) 0.05 4.38 -54.84 0 7 -1 95 300.36 4 ↓

Analogs

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Popular Name: (3S)-3-methyl-1-(1-methylimidazol-4-yl)sulfonyl-pyrrolidine-3-carboxylic (3S)-3-methyl-1-(1-methylimidazo…

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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) -0.41 3.67 -57.41 0 7 -1 95 272.306 3 ↓

Analogs

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Popular Name: (3R)-3-methyl-1-(1-methylimidazol-4-yl)sulfonyl-pyrrolidine-3-carboxylic (3R)-3-methyl-1-(1-methylimidazo…

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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) -0.41 3.69 -57.29 0 7 -1 95 272.306 3 ↓

Analogs

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Popular Name: (3S)-1-(1,2-dimethylimidazol-4-yl)sulfonyl-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-(1,2-dimethylimidazol-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) 0.01 3.95 -57.52 0 7 -1 95 300.36 4 ↓

Analogs

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Popular Name: (3R)-1-(1,2-dimethylimidazol-4-yl)sulfonyl-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-(1,2-dimethylimidazol-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) 0.01 4.05 -60.11 0 7 -1 95 300.36 4 ↓

Analogs

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Popular Name: (3S)-3-ethyl-1-(1-ethyl-2-methyl-imidazol-4-yl)sulfonyl-pyrrolidine-3-carboxylic (3S)-3-ethyl-1-(1-ethyl-2-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) 0.39 4.85 -56.73 0 7 -1 95 314.387 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-1-(1-ethyl-2-methyl-imidazol-4-yl)sulfonyl-pyrrolidine-3-carboxylic (3R)-3-ethyl-1-(1-ethyl-2-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) 0.39 4.94 -59.58 0 7 -1 95 314.387 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-1-(1-methylimidazol-4-yl)sulfonyl-pyrrolidine-3-carboxylic (3S)-3-ethyl-1-(1-methylimidazol…

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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) -0.08 4.15 -56.6 0 7 -1 95 286.333 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-1-(1-methylimidazol-4-yl)sulfonyl-pyrrolidine-3-carboxylic (3R)-3-ethyl-1-(1-methylimidazol…

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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) -0.08 4.25 -59.84 0 7 -1 95 286.333 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(1,2-dimethylimidazol-4-yl)sulfonyl-3-propyl-pyrrolidine-3-carboxylic (3S)-1-(1,2-dimethylimidazol-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) 0.57 4.72 -57.85 0 7 -1 95 314.387 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(1,2-dimethylimidazol-4-yl)sulfonyl-3-propyl-pyrrolidine-3-carboxylic (3R)-1-(1,2-dimethylimidazol-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) 0.57 4.81 -60.48 0 7 -1 95 314.387 5 ↓

Analogs

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Popular Name: (3S)-1-(1-methylimidazol-4-yl)sulfonyl-3-propyl-pyrrolidine-3-carboxylic (3S)-1-(1-methylimidazol-4-yl)su…

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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 4.92 -56.96 0 7 -1 95 300.36 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(1-methylimidazol-4-yl)sulfonyl-3-propyl-pyrrolidine-3-carboxylic (3R)-1-(1-methylimidazol-4-yl)su…

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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 5.01 -60.19 0 7 -1 95 300.36 5 ↓

Analogs

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Popular Name: (3S)-1-(5-chloro-1-methyl-imidazol-4-yl)sulfonyl-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-(5-chloro-1-methyl-imidaz…

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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) 0.55 4.25 -46.43 1 6 1 60 293.8 3 ↓
Hi High (pH 8-9.5) 0.55 1.84 -12.44 0 6 0 58 292.792 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(5-chloro-1-methyl-imidazol-4-yl)sulfonyl-N,N-dimethyl-pyrrolidin-3-amine (3R)-1-(5-chloro-1-methyl-imidaz…

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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) 0.55 4.26 -46.5 1 6 1 60 293.8 3 ↓
Hi High (pH 8-9.5) 0.55 1.86 -12.56 0 6 0 58 292.792 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(5-chloro-1-methyl-imidazol-4-yl)sulfonyl-N,N-diethyl-pyrrolidin-3-amine (3R)-1-(5-chloro-1-methyl-imidaz…

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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 5.35 -44.73 1 6 1 60 321.854 5 ↓
Hi High (pH 8-9.5) 1.30 3.31 -13.02 0 6 0 58 320.846 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(5-chloro-1-methyl-imidazol-4-yl)sulfonyl-N,N-diethyl-pyrrolidin-3-amine (3S)-1-(5-chloro-1-methyl-imidaz…

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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 5.35 -44.65 1 6 1 60 321.854 5 ↓
Hi High (pH 8-9.5) 1.30 3.19 -13.14 0 6 0 58 320.846 5 ↓

Analogs

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Popular Name: (2R)-1-(1H-imidazol-4-ylsulfonyl)pyrrolidin-2-amine (2R)-1-(1H-imidazol-4-ylsulfonyl…

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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 -0.97 -42.09 4 6 1 94 217.274 2 ↓
Hi High (pH 8-9.5) -0.69 -1.76 -38.44 2 6 -1 90 215.258 2 ↓
Mid Mid (pH 6-8) -0.69 -1.27 -12.82 3 6 0 92 216.266 2 ↓

Analogs

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Popular Name: (2S)-1-(1H-imidazol-4-ylsulfonyl)pyrrolidin-2-amine (2S)-1-(1H-imidazol-4-ylsulfonyl…

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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 -0.83 -42.45 4 6 1 94 217.274 2 ↓
Hi High (pH 8-9.5) -0.69 -1.77 -40.41 2 6 -1 90 215.258 2 ↓
Mid Mid (pH 6-8) -0.69 -1.26 -13.55 3 6 0 92 216.266 2 ↓

Analogs

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Popular Name: (3S)-1-(1H-imidazol-4-ylsulfonyl)pyrrolidin-3-amine (3S)-1-(1H-imidazol-4-ylsulfonyl…

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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 -1.74 -55.01 4 6 1 94 217.274 2 ↓
Hi High (pH 8-9.5) -1.48 -2.23 -66.23 3 6 0 92 216.266 2 ↓

Analogs

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Popular Name: (3R)-1-(1H-imidazol-4-ylsulfonyl)pyrrolidin-3-amine (3R)-1-(1H-imidazol-4-ylsulfonyl…

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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 -1.74 -54.74 4 6 1 94 217.274 2 ↓
Hi High (pH 8-9.5) -1.48 -2.23 -64.48 3 6 0 92 216.266 2 ↓

Analogs

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Popular Name: [(3R)-1-(1H-imidazol-4-ylsulfonyl)pyrrolidin-3-yl]methanamine [(3R)-1-(1H-imidazol-4-ylsulfony…

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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) -1.17 -1.03 -57.5 4 6 1 94 231.301 3 ↓
Hi High (pH 8-9.5) -1.17 -1.52 -71.42 3 6 0 92 230.293 3 ↓

Analogs

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Popular Name: [(3S)-1-(1H-imidazol-4-ylsulfonyl)pyrrolidin-3-yl]methanamine [(3S)-1-(1H-imidazol-4-ylsulfony…

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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) -1.17 -1.04 -57.41 4 6 1 94 231.301 3 ↓
Hi High (pH 8-9.5) -1.17 -1.53 -70.44 3 6 0 92 230.293 3 ↓

Analogs

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Popular Name: 1-[(3S)-1-(1H-imidazol-4-ylsulfonyl)pyrrolidin-3-yl]-N-methyl-methanamine 1-[(3S)-1-(1H-imidazol-4-ylsulfo…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.18 0.85 -55.14 3 6 1 83 245.328 4 ↓
Hi High (pH 8-9.5) -0.18 0.34 -67.41 2 6 0 81 244.32 4 ↓

Analogs

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Popular Name: 1-[(3R)-1-(1H-imidazol-4-ylsulfonyl)pyrrolidin-3-yl]-N-methyl-methanamine 1-[(3R)-1-(1H-imidazol-4-ylsulfo…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.18 0.85 -55.16 3 6 1 83 245.328 4 ↓
Hi High (pH 8-9.5) -0.18 0.35 -66.99 2 6 0 81 244.32 4 ↓

Analogs

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Popular Name: (3R)-1-(1H-imidazol-4-ylsulfonyl)-N,N-dimethyl-pyrrolidin-3-amine (3R)-1-(1H-imidazol-4-ylsulfonyl…

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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 2.12 -48.06 2 6 1 70 245.328 3 ↓
Hi High (pH 8-9.5) -0.32 -0.28 -14.78 1 6 0 69 244.32 3 ↓

Analogs

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Popular Name: (3S)-1-(1H-imidazol-4-ylsulfonyl)-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-(1H-imidazol-4-ylsulfonyl…

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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 2.13 -47.99 2 6 1 70 245.328 3 ↓
Hi High (pH 8-9.5) -0.32 -0.26 -14.9 1 6 0 69 244.32 3 ↓

Analogs

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Popular Name: (2R)-1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]pyrrolidin-2-amine (2R)-1-[(2-methyl-1H-imidazol-5-…

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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) -0.60 -1.11 -41.62 4 6 1 94 231.301 2 ↓
Mid Mid (pH 6-8) -0.60 -1.41 -12.4 3 6 0 92 230.293 2 ↓
Lo Low (pH 4.5-6) -0.60 -0.64 -95.97 5 6 2 95 232.309 2 ↓

Analogs

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Popular Name: (2S)-1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]pyrrolidin-2-amine (2S)-1-[(2-methyl-1H-imidazol-5-…

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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) -0.60 -1 -41.36 4 6 1 94 231.301 2 ↓
Mid Mid (pH 6-8) -0.60 -1.41 -13.12 3 6 0 92 230.293 2 ↓
Lo Low (pH 4.5-6) -0.60 -0.97 -107.73 5 6 2 95 232.309 2 ↓

Analogs

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Popular Name: (2R)-1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]pyrrolidin-2-amine (2R)-1-[(2-ethyl-1H-imidazol-5-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) -0.02 -0.48 -41.31 4 6 1 94 245.328 3 ↓
Mid Mid (pH 6-8) -0.02 -0.78 -12.08 3 6 0 92 244.32 3 ↓
Lo Low (pH 4.5-6) -0.02 -0.03 -95.67 5 6 2 95 246.336 3 ↓

Analogs

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Popular Name: (2S)-1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]pyrrolidin-2-amine (2S)-1-[(2-ethyl-1H-imidazol-5-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) -0.02 -0.36 -41.09 4 6 1 94 245.328 3 ↓
Mid Mid (pH 6-8) -0.02 -0.79 -12.74 3 6 0 92 244.32 3 ↓
Lo Low (pH 4.5-6) -0.02 -0.36 -107.34 5 6 2 95 246.336 3 ↓

Analogs

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Popular Name: (3S)-1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]pyrrolidin-3-amine (3S)-1-[(2-methyl-1H-imidazol-5-…

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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) -1.39 -1.88 -54.52 4 6 1 94 231.301 2 ↓
Hi High (pH 8-9.5) -1.39 -2.15 -13.12 3 6 0 92 230.293 2 ↓

Analogs

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Popular Name: (3R)-1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]pyrrolidin-3-amine (3R)-1-[(2-methyl-1H-imidazol-5-…

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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) -1.39 -1.88 -54.19 4 6 1 94 231.301 2 ↓
Hi High (pH 8-9.5) -1.39 -2.17 -12.64 3 6 0 92 230.293 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]pyrrolidin-3-amine (3S)-1-[(2-ethyl-1H-imidazol-5-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 -1.25 -54.2 4 6 1 94 245.328 3 ↓
Hi High (pH 8-9.5) -0.82 -1.52 -12.87 3 6 0 92 244.32 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]pyrrolidin-3-amine (3R)-1-[(2-ethyl-1H-imidazol-5-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 -1.25 -53.95 4 6 1 94 245.328 3 ↓
Hi High (pH 8-9.5) -0.82 -1.53 -12.38 3 6 0 92 244.32 3 ↓

Analogs

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Popular Name: [(3R)-1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]pyrrolidin-3-yl]methanamine [(3R)-1-[(2-methyl-1H-imidazol-5…

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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) -1.08 -1.17 -57.12 4 6 1 94 245.328 3 ↓
Lo Low (pH 4.5-6) -1.08 -0.7 -99.97 5 6 2 95 246.336 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]pyrrolidin-3-yl]methanamine [(3S)-1-[(2-methyl-1H-imidazol-5…

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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) -1.08 -1.18 -56.97 4 6 1 94 245.328 3 ↓
Lo Low (pH 4.5-6) -1.08 -0.72 -100.77 5 6 2 95 246.336 3 ↓

Analogs

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Popular Name: (2S,4R)-4-amino-N-ethyl-1-(1-methylimidazol-4-yl)sulfonyl-pyrrolidine-2-carboxamide (2S,4R)-4-amino-N-ethyl-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) -1.94 -1.04 -63.61 4 8 1 112 302.38 4 ↓
Hi High (pH 8-9.5) -1.94 -1.41 -18.92 3 8 0 110 301.372 4 ↓

Analogs

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Popular Name: (2S,4S)-4-amino-N-ethyl-1-(1-methylimidazol-4-yl)sulfonyl-pyrrolidine-2-carboxamide (2S,4S)-4-amino-N-ethyl-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) -1.94 -1.11 -64.14 4 8 1 112 302.38 4 ↓
Hi High (pH 8-9.5) -1.94 -1.4 -17.44 3 8 0 110 301.372 4 ↓

Parameters Provided:

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