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Analogs

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Popular Name: [3-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]sulfonylphenyl]methanamine [3-[(3S)-3-pyrrolidin-1-ylpyrrol…

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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) 0.96 3.96 -105.14 4 5 2 69 311.451 4 ↓
Hi High (pH 8-9.5) 0.96 3.56 -43.07 3 5 1 68 310.443 4 ↓
Hi High (pH 8-9.5) 0.96 1.56 -57.43 3 5 1 68 310.443 4 ↓

Analogs

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Popular Name: [3-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]sulfonylphenyl]methanamine [3-[(3R)-3-pyrrolidin-1-ylpyrrol…

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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) 0.96 3.98 -106.06 4 5 2 69 311.451 4 ↓
Hi High (pH 8-9.5) 0.96 1.6 -55.86 3 5 1 68 310.443 4 ↓
Hi High (pH 8-9.5) 0.96 3.58 -43.08 3 5 1 68 310.443 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]sulfonylphenyl]methanamine [2-[(3S)-3-pyrrolidin-1-ylpyrrol…

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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) 0.94 4.56 -90.2 4 5 2 69 311.451 4 ↓
Hi High (pH 8-9.5) 0.94 1.88 -10.72 2 5 0 67 309.435 4 ↓
Mid Mid (pH 6-8) 0.94 4.3 -46.96 3 5 1 68 310.443 4 ↓

Analogs

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Popular Name: [2-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]sulfonylphenyl]methanamine [2-[(3R)-3-pyrrolidin-1-ylpyrrol…

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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) 0.94 4.53 -90.62 4 5 2 69 311.451 4 ↓
Hi High (pH 8-9.5) 0.94 1.75 -9.53 2 5 0 67 309.435 4 ↓
Mid Mid (pH 6-8) 0.94 4.28 -47.51 3 5 1 68 310.443 4 ↓

Analogs

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Popular Name: 3-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]sulfonylaniline 3-[(3S)-3-pyrrolidin-1-ylpyrroli…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.86 3.71 -43.4 3 5 1 68 296.416 3 ↓
Hi High (pH 8-9.5) 0.86 1.4 -9.25 2 5 0 67 295.408 3 ↓

Analogs

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Popular Name: 3-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]sulfonylaniline 3-[(3R)-3-pyrrolidin-1-ylpyrroli…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.86 3.83 -43.37 3 5 1 68 296.416 3 ↓
Hi High (pH 8-9.5) 0.86 1.45 -9.05 2 5 0 67 295.408 3 ↓

Analogs

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Popular Name: 2-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]sulfonylaniline 2-[(3S)-3-pyrrolidin-1-ylpyrroli…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.24 4.25 -43.21 3 5 1 68 296.416 3 ↓
Hi High (pH 8-9.5) 1.24 1.84 -9.17 2 5 0 67 295.408 3 ↓

Analogs

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Popular Name: 2-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]sulfonylaniline 2-[(3R)-3-pyrrolidin-1-ylpyrroli…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.24 4.19 -45.01 3 5 1 68 296.416 3 ↓
Hi High (pH 8-9.5) 1.24 1.91 -8.53 2 5 0 67 295.408 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]sulfonylaniline 4-[(3S)-3-pyrrolidin-1-ylpyrroli…

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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) 0.88 3.81 -43.33 3 5 1 68 296.416 3 ↓
Hi High (pH 8-9.5) 0.88 1.4 -9.63 2 5 0 67 295.408 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]sulfonylaniline 4-[(3R)-3-pyrrolidin-1-ylpyrroli…

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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) 0.88 3.83 -43.23 3 5 1 68 296.416 3 ↓
Hi High (pH 8-9.5) 0.88 1.45 -9.27 2 5 0 67 295.408 3 ↓

Analogs

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Popular Name: 3-chloro-4-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]sulfonyl-aniline 3-chloro-4-[(3S)-3-pyrrolidin-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) 1.49 4.11 -42.81 3 5 1 68 330.861 3 ↓
Hi High (pH 8-9.5) 1.49 1.71 -9.49 2 5 0 67 329.853 3 ↓

Analogs

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Popular Name: 3-chloro-4-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]sulfonyl-aniline 3-chloro-4-[(3R)-3-pyrrolidin-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) 1.49 4.06 -41.28 3 5 1 68 330.861 3 ↓
Hi High (pH 8-9.5) 1.49 1.77 -9.87 2 5 0 67 329.853 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-4-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]sulfonyl-phenol 2-amino-4-[(3S)-3-pyrrolidin-1-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) 0.99 0.98 -44.26 4 6 1 88 312.415 3 ↓
Hi High (pH 8-9.5) 0.99 -1.33 -9.64 3 6 0 87 311.407 3 ↓
Hi High (pH 8-9.5) 0.99 -0.57 -42.44 2 6 -1 90 310.399 3 ↓

Analogs

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Popular Name: 2-amino-4-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]sulfonyl-phenol 2-amino-4-[(3R)-3-pyrrolidin-1-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) 0.99 1.09 -44.06 4 6 1 88 312.415 3 ↓
Hi High (pH 8-9.5) 0.99 -1.28 -9.55 3 6 0 87 311.407 3 ↓
Hi High (pH 8-9.5) 0.99 -0.52 -43.84 2 6 -1 90 310.399 3 ↓

Analogs

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Popular Name: 2-fluoro-5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]sulfonyl-aniline 2-fluoro-5-[(3S)-3-pyrrolidin-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) 1.38 3.9 -44.26 3 5 1 68 314.406 3 ↓
Hi High (pH 8-9.5) 1.38 1.5 -8.17 2 5 0 67 313.398 3 ↓

Analogs

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Popular Name: 2-fluoro-5-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]sulfonyl-aniline 2-fluoro-5-[(3R)-3-pyrrolidin-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) 1.38 3.92 -44.14 3 5 1 68 314.406 3 ↓
Hi High (pH 8-9.5) 1.38 1.54 -8.06 2 5 0 67 313.398 3 ↓

Analogs

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Popular Name: 5-chloro-2-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]sulfonyl-aniline 5-chloro-2-[(3S)-3-pyrrolidin-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) 1.89 4.77 -43.55 3 5 1 68 330.861 3 ↓
Hi High (pH 8-9.5) 1.89 2.36 -7.72 2 5 0 67 329.853 3 ↓

Analogs

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Popular Name: 5-chloro-2-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]sulfonyl-aniline 5-chloro-2-[(3R)-3-pyrrolidin-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) 1.89 4.71 -45.18 3 5 1 68 330.861 3 ↓
Hi High (pH 8-9.5) 1.89 2.43 -7.18 2 5 0 67 329.853 3 ↓

Analogs

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Popular Name: 4-methyl-3-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]sulfonyl-aniline 4-methyl-3-[(3S)-3-pyrrolidin-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) 1.25 4.3 -45.97 3 5 1 68 310.443 3 ↓
Hi High (pH 8-9.5) 1.25 1.9 -9.49 2 5 0 67 309.435 3 ↓

Analogs

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Popular Name: 4-methyl-3-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]sulfonyl-aniline 4-methyl-3-[(3R)-3-pyrrolidin-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) 1.25 4.23 -46.31 3 5 1 68 310.443 3 ↓
Hi High (pH 8-9.5) 1.25 1.95 -9.01 2 5 0 67 309.435 3 ↓

Analogs

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Popular Name: 4-chloro-3-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]sulfonyl-aniline 4-chloro-3-[(3S)-3-pyrrolidin-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) 1.49 4.1 -42.82 3 5 1 68 330.861 3 ↓
Hi High (pH 8-9.5) 1.49 1.71 -9.18 2 5 0 67 329.853 3 ↓

Analogs

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Popular Name: 4-chloro-3-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]sulfonyl-aniline 4-chloro-3-[(3R)-3-pyrrolidin-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) 1.49 4.04 -41.24 3 5 1 68 330.861 3 ↓
Hi High (pH 8-9.5) 1.49 1.76 -9.54 2 5 0 67 329.853 3 ↓

Analogs

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Popular Name: 3-fluoro-2-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]sulfonyl-aniline 3-fluoro-2-[(3S)-3-pyrrolidin-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) 1.35 4.43 -43.7 3 5 1 68 314.406 3 ↓
Hi High (pH 8-9.5) 1.35 2.03 -11.13 2 5 0 67 313.398 3 ↓

Analogs

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Popular Name: 3-fluoro-2-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]sulfonyl-aniline 3-fluoro-2-[(3R)-3-pyrrolidin-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) 1.35 4.39 -46.54 3 5 1 68 314.406 3 ↓
Hi High (pH 8-9.5) 1.35 2.07 -10.26 2 5 0 67 313.398 3 ↓

Analogs

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Popular Name: 3-fluoro-4-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]sulfonyl-aniline 3-fluoro-4-[(3S)-3-pyrrolidin-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) 0.97 3.74 -42.15 3 5 1 68 314.406 3 ↓
Hi High (pH 8-9.5) 0.97 1.34 -10.81 2 5 0 67 313.398 3 ↓

Analogs

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Popular Name: 3-fluoro-4-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]sulfonyl-aniline 3-fluoro-4-[(3R)-3-pyrrolidin-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) 0.97 3.71 -42.1 3 5 1 68 314.406 3 ↓
Hi High (pH 8-9.5) 0.97 1.42 -10.71 2 5 0 67 313.398 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]sulfonyl-aniline 2-chloro-5-[(3S)-3-pyrrolidin-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) 1.89 4.38 -43.78 3 5 1 68 330.861 3 ↓
Hi High (pH 8-9.5) 1.89 1.98 -7.92 2 5 0 67 329.853 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-5-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]sulfonyl-aniline 2-chloro-5-[(3R)-3-pyrrolidin-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) 1.89 4.41 -43.7 3 5 1 68 330.861 3 ↓
Hi High (pH 8-9.5) 1.89 2.03 -7.72 2 5 0 67 329.853 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-3-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]sulfonyl-aniline 2-methyl-3-[(3S)-3-pyrrolidin-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) 1.64 4.42 -46.51 3 5 1 68 310.443 3 ↓
Hi High (pH 8-9.5) 1.64 2.01 -9.56 2 5 0 67 309.435 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-3-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]sulfonyl-aniline 2-methyl-3-[(3R)-3-pyrrolidin-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) 1.64 4.34 -46.86 3 5 1 68 310.443 3 ↓
Hi High (pH 8-9.5) 1.64 2.05 -9.08 2 5 0 67 309.435 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-fluoro-2-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]sulfonyl-aniline 5-fluoro-2-[(3S)-3-pyrrolidin-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) 1.38 4.33 -43.86 3 5 1 68 314.406 3 ↓
Hi High (pH 8-9.5) 1.38 1.92 -7.89 2 5 0 67 313.398 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-fluoro-2-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]sulfonyl-aniline 5-fluoro-2-[(3R)-3-pyrrolidin-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) 1.38 4.26 -45.56 3 5 1 68 314.406 3 ↓
Hi High (pH 8-9.5) 1.38 1.98 -7.35 2 5 0 67 313.398 3 ↓

Analogs

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Popular Name: 3-methyl-5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]sulfonyl-aniline 3-methyl-5-[(3S)-3-pyrrolidin-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) 1.25 4.46 -43.37 3 5 1 68 310.443 3 ↓
Hi High (pH 8-9.5) 1.25 2.06 -9.26 2 5 0 67 309.435 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-5-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]sulfonyl-aniline 3-methyl-5-[(3R)-3-pyrrolidin-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) 1.25 4.41 -43.37 3 5 1 68 310.443 3 ↓
Hi High (pH 8-9.5) 1.25 2.13 -9.1 2 5 0 67 309.435 3 ↓

Analogs

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Popular Name: 4-fluoro-3-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]sulfonyl-aniline 4-fluoro-3-[(3S)-3-pyrrolidin-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) 0.97 3.74 -42.25 3 5 1 68 314.406 3 ↓
Hi High (pH 8-9.5) 0.97 1.34 -10.48 2 5 0 67 313.398 3 ↓

Analogs

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Popular Name: 4-fluoro-3-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]sulfonyl-aniline 4-fluoro-3-[(3R)-3-pyrrolidin-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) 0.97 3.71 -42.21 3 5 1 68 314.406 3 ↓
Hi High (pH 8-9.5) 0.97 1.42 -10.45 2 5 0 67 313.398 3 ↓

Analogs

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Popular Name: 3-bromo-4-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]sulfonyl-aniline 3-bromo-4-[(3S)-3-pyrrolidin-1-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) 1.62 4.22 -42.53 3 5 1 68 375.312 3 ↓
Hi High (pH 8-9.5) 1.62 1.82 -9.35 2 5 0 67 374.304 3 ↓

Analogs

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Popular Name: 3-bromo-4-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]sulfonyl-aniline 3-bromo-4-[(3R)-3-pyrrolidin-1-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) 1.62 4.17 -40.93 3 5 1 68 375.312 3 ↓
Hi High (pH 8-9.5) 1.62 1.88 -9.72 2 5 0 67 374.304 3 ↓

Analogs

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Popular Name: 5-methyl-2-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]sulfonyl-aniline 5-methyl-2-[(3S)-3-pyrrolidin-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) 1.66 4.91 -43.13 3 5 1 68 310.443 3 ↓
Hi High (pH 8-9.5) 1.66 2.51 -9 2 5 0 67 309.435 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methyl-2-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]sulfonyl-aniline 5-methyl-2-[(3R)-3-pyrrolidin-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) 1.66 4.86 -44.93 3 5 1 68 310.443 3 ↓
Hi High (pH 8-9.5) 1.66 2.58 -8.49 2 5 0 67 309.435 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-4-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]sulfonyl-aniline 3-methyl-4-[(3S)-3-pyrrolidin-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) 1.25 4.29 -46.06 3 5 1 68 310.443 3 ↓
Hi High (pH 8-9.5) 1.25 1.89 -9.85 2 5 0 67 309.435 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-4-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]sulfonyl-aniline 3-methyl-4-[(3R)-3-pyrrolidin-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) 1.25 4.22 -46.48 3 5 1 68 310.443 3 ↓
Hi High (pH 8-9.5) 1.25 1.93 -9.27 2 5 0 67 309.435 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-2-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]sulfonyl-aniline 5-bromo-2-[(3S)-3-pyrrolidin-1-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) 2.02 4.87 -43.56 3 5 1 68 375.312 3 ↓
Hi High (pH 8-9.5) 2.02 2.47 -7.68 2 5 0 67 374.304 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-2-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]sulfonyl-aniline 5-bromo-2-[(3R)-3-pyrrolidin-1-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) 2.02 4.8 -45.22 3 5 1 68 375.312 3 ↓
Hi High (pH 8-9.5) 2.02 2.54 -7.12 2 5 0 67 374.304 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-2-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]sulfonyl-aniline 3-methyl-2-[(3S)-3-pyrrolidin-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) 1.64 5.01 -42.83 3 5 1 68 310.443 3 ↓
Hi High (pH 8-9.5) 1.64 2.61 -8 2 5 0 67 309.435 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-2-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]sulfonyl-aniline 3-methyl-2-[(3R)-3-pyrrolidin-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) 1.64 5.03 -42.73 3 5 1 68 310.443 3 ↓
Hi High (pH 8-9.5) 1.64 2.65 -7.83 2 5 0 67 309.435 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-2-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]sulfonyl-aniline 4-fluoro-2-[(3S)-3-pyrrolidin-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) 1.38 4.32 -45.06 3 5 1 68 314.406 3 ↓
Hi High (pH 8-9.5) 1.38 1.89 -9.84 2 5 0 67 313.398 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-2-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]sulfonyl-aniline 4-fluoro-2-[(3R)-3-pyrrolidin-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) 1.38 4.26 -48 3 5 1 68 314.406 3 ↓
Hi High (pH 8-9.5) 1.38 1.95 -8.85 2 5 0 67 313.398 3 ↓

Analogs

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Popular Name: 4-chloro-2-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]sulfonyl-aniline 4-chloro-2-[(3S)-3-pyrrolidin-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) 1.89 4.77 -44.33 3 5 1 68 330.861 3 ↓
Hi High (pH 8-9.5) 1.89 2.35 -9.19 2 5 0 67 329.853 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]sulfonyl-aniline 4-chloro-2-[(3R)-3-pyrrolidin-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) 1.89 4.71 -47.04 3 5 1 68 330.861 3 ↓
Hi High (pH 8-9.5) 1.89 2.4 -8.25 2 5 0 67 329.853 3 ↓

Parameters Provided:

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

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 282345 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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