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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S)-1-(8-quinolylmethyl)pyrrolidin-2-yl]methyl]ethanamine N-[[(2S)-1-(8-quinolylmethyl)pyr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.90 7.39 -32.13 2 3 1 33 270.4 5 ↓
Mid Mid (pH 6-8) 1.90 9.35 -101.22 3 3 2 34 271.408 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R)-1-(8-quinolylmethyl)pyrrolidin-2-yl]methyl]ethanamine N-[[(2R)-1-(8-quinolylmethyl)pyr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.90 7.53 -31.92 2 3 1 33 270.4 5 ↓
Mid Mid (pH 6-8) 1.90 9.23 -101.86 3 3 2 34 271.408 5 ↓

Analogs

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Popular Name: N-[[(2S)-1-(8-quinolylmethyl)pyrrolidin-2-yl]methyl]propan-1-amine N-[[(2S)-1-(8-quinolylmethyl)pyr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.40 6.82 -41.27 2 3 1 33 284.427 6 ↓
Mid Mid (pH 6-8) 2.40 9.15 -108.52 3 3 2 34 285.435 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R)-1-(8-quinolylmethyl)pyrrolidin-2-yl]methyl]propan-1-amine N-[[(2R)-1-(8-quinolylmethyl)pyr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.40 7.41 -42.83 2 3 1 33 284.427 6 ↓
Mid Mid (pH 6-8) 2.40 9.66 -111.19 3 3 2 34 285.435 6 ↓

Analogs

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Popular Name: N-[[(2S)-1-(8-quinolylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine N-[[(2S)-1-(8-quinolylmethyl)pyr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.55 7.89 -30.48 2 3 1 33 284.427 5 ↓
Mid Mid (pH 6-8) 2.55 9.9 -99.99 3 3 2 34 285.435 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R)-1-(8-quinolylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine N-[[(2R)-1-(8-quinolylmethyl)pyr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.55 8.05 -30.94 2 3 1 33 284.427 5 ↓
Mid Mid (pH 6-8) 2.55 9.74 -100.73 3 3 2 34 285.435 5 ↓

Analogs

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Popular Name: (3S)-1-[(6-fluoro-8-quinolyl)methyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[(6-fluoro-8-quinolyl)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) 0.83 9.21 -47.59 1 4 0 57 288.322 3 ↓
Hi High (pH 8-9.5) 0.83 6.74 -53.18 0 4 -1 56 287.314 3 ↓

Analogs

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Popular Name: (3R)-1-[(6-fluoro-8-quinolyl)methyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[(6-fluoro-8-quinolyl)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) 0.83 9.21 -43.5 1 4 0 57 288.322 3 ↓
Hi High (pH 8-9.5) 0.83 6.64 -48.82 0 4 -1 56 287.314 3 ↓

Analogs

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Popular Name: (3S)-1-[(5-fluoro-8-quinolyl)methyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[(5-fluoro-8-quinolyl)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) 2.11 9.18 -50.32 1 4 0 57 288.322 3 ↓
Hi High (pH 8-9.5) 2.11 6.7 -53.7 0 4 -1 56 287.314 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(5-fluoro-8-quinolyl)methyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[(5-fluoro-8-quinolyl)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) 2.11 9.18 -44.51 1 4 0 57 288.322 3 ↓
Hi High (pH 8-9.5) 2.11 6.62 -47.7 0 4 -1 56 287.314 3 ↓

Analogs

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Popular Name: (3S)-3-methyl-1-(8-quinolylmethyl)pyrrolidine-3-carboxylic (3S)-3-methyl-1-(8-quinolylmethy…

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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) 1.69 9.62 -45.77 1 4 0 57 270.332 3 ↓
Hi High (pH 8-9.5) 1.69 7.03 -51.82 0 4 -1 56 269.324 3 ↓

Analogs

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Popular Name: (3R)-3-methyl-1-(8-quinolylmethyl)pyrrolidine-3-carboxylic (3R)-3-methyl-1-(8-quinolylmethy…

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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) 1.69 9.59 -41.66 1 4 0 57 270.332 3 ↓
Hi High (pH 8-9.5) 1.69 7.08 -51.84 0 4 -1 56 269.324 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-1-(8-quinolylmethyl)pyrrolidine-3-carboxylic (3S)-3-ethyl-1-(8-quinolylmethyl…

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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 9.67 -45.87 1 4 0 57 284.359 4 ↓
Hi High (pH 8-9.5) 2.02 7.1 -56.85 0 4 -1 56 283.351 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-1-(8-quinolylmethyl)pyrrolidine-3-carboxylic (3R)-3-ethyl-1-(8-quinolylmethyl…

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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 10.09 -40.43 1 4 0 57 284.359 4 ↓
Hi High (pH 8-9.5) 2.02 7.57 -50.98 0 4 -1 56 283.351 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-[[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methyl]quinolin-5-amine 8-[[(3R)-3-(dimethylamino)pyrrol…

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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) 1.58 4.72 -28.88 3 4 1 47 271.388 3 ↓
Mid Mid (pH 6-8) 1.58 4.7 -36.88 3 4 1 47 271.388 3 ↓
Mid Mid (pH 6-8) 1.58 5.05 -78.33 4 4 2 48 272.396 3 ↓

Analogs

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Popular Name: 8-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]quinolin-5-amine 8-[[(3S)-3-(dimethylamino)pyrrol…

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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) 1.58 4.88 -29.16 3 4 1 47 271.388 3 ↓
Mid Mid (pH 6-8) 1.58 5.24 -79.11 4 4 2 48 272.396 3 ↓
Mid Mid (pH 6-8) 1.58 5.25 -36.04 3 4 1 47 271.388 3 ↓

Analogs

52311098
52311098
52311095
52311095

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[(7-chloro-8-quinolyl)methyl]-N-methyl-pyrrolidine-2-carboxamide (2S)-1-[(7-chloro-8-quinolyl)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) 1.82 7.25 -28.97 2 4 1 46 304.801 3 ↓
Mid Mid (pH 6-8) 1.82 4.97 -12.31 1 4 0 45 303.793 3 ↓

Analogs

52311098
52311098
52311095
52311095

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[(7-chloro-8-quinolyl)methyl]-N-methyl-pyrrolidine-2-carboxamide (2R)-1-[(7-chloro-8-quinolyl)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) 1.82 7.21 -29.23 2 4 1 46 304.801 3 ↓
Mid Mid (pH 6-8) 1.82 5.24 -12.88 1 4 0 45 303.793 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-pyrrolidin-1-yl-2-(8-quinolyl)ethanamine (2S)-2-pyrrolidin-1-yl-2-(8-quin…

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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) 1.09 4.77 -38.48 3 3 1 44 242.346 3 ↓
Lo Low (pH 4.5-6) 1.09 6.41 -115.74 4 3 2 45 243.354 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-pyrrolidin-1-yl-2-(8-quinolyl)ethanamine (2R)-2-pyrrolidin-1-yl-2-(8-quin…

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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) 1.09 4.1 -40.71 3 3 1 44 242.346 3 ↓
Lo Low (pH 4.5-6) 1.09 6.37 -115.28 4 3 2 45 243.354 3 ↓

Analogs

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Popular Name: (2R)-2-[(2R)-2-methylpyrrolidin-1-yl]-2-(8-quinolyl)ethanamine (2R)-2-[(2R)-2-methylpyrrolidin-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.42 4.84 -40.82 3 3 1 44 256.373 3 ↓
Mid Mid (pH 6-8) 1.42 6.15 -114.49 4 3 2 45 257.381 3 ↓

Analogs

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Popular Name: (2R)-2-[(2S)-2-methylpyrrolidin-1-yl]-2-(8-quinolyl)ethanamine (2R)-2-[(2S)-2-methylpyrrolidin-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.42 4.97 -40.95 3 3 1 44 256.373 3 ↓
Mid Mid (pH 6-8) 1.42 6.66 -117.14 4 3 2 45 257.381 3 ↓

Analogs

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Popular Name: (2R)-2-[(2R)-2-ethylpyrrolidin-1-yl]-2-(8-quinolyl)ethanamine (2R)-2-[(2R)-2-ethylpyrrolidin-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) 1.95 4.6 -42.35 3 3 1 44 270.4 4 ↓
Mid Mid (pH 6-8) 1.95 7.5 -106.4 4 3 2 45 271.408 4 ↓

Analogs

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Popular Name: (2R)-2-[(2S)-2-ethylpyrrolidin-1-yl]-2-(8-quinolyl)ethanamine (2R)-2-[(2S)-2-ethylpyrrolidin-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) 1.95 6.02 -41.12 3 3 1 44 270.4 4 ↓
Mid Mid (pH 6-8) 1.95 7.55 -109.16 4 3 2 45 271.408 4 ↓

Analogs

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Popular Name: (2R)-2-[(3R)-3-methylpyrrolidin-1-yl]-2-(8-quinolyl)ethanamine (2R)-2-[(3R)-3-methylpyrrolidin-…

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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) 1.56 5.42 -37.96 3 3 1 44 256.373 3 ↓
Mid Mid (pH 6-8) 1.56 6.97 -115.93 4 3 2 45 257.381 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(3S)-3-methylpyrrolidin-1-yl]-2-(8-quinolyl)ethanamine (2R)-2-[(3S)-3-methylpyrrolidin-…

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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) 1.56 4.84 -40.64 3 3 1 44 256.373 3 ↓
Mid Mid (pH 6-8) 1.56 6.88 -117.58 4 3 2 45 257.381 3 ↓

Analogs

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Popular Name: (3R)-1-[(1R)-2-amino-1-(8-quinolyl)ethyl]-N,N-dimethyl-pyrrolidin-3-amine (3R)-1-[(1R)-2-amino-1-(8-quinol…

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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) 0.84 5.94 -102.44 4 4 2 48 286.423 4 ↓
Mid Mid (pH 6-8) 0.84 3.56 -38.03 3 4 1 47 285.415 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(1R)-2-amino-1-(8-quinolyl)ethyl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[(1R)-2-amino-1-(8-quinol…

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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) 0.84 5.98 -100 4 4 2 48 286.423 4 ↓
Mid Mid (pH 6-8) 0.84 3.59 -39.65 3 4 1 47 285.415 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(2,2-dimethylpyrrolidin-1-yl)-2-(8-quinolyl)ethanamine (2R)-2-(2,2-dimethylpyrrolidin-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) 1.90 5.19 -41.95 3 3 1 44 270.4 3 ↓
Mid Mid (pH 6-8) 1.90 6.68 -115.1 4 3 2 45 271.408 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(2,2-dimethylpyrrolidin-1-yl)-2-(8-quinolyl)ethanamine (2S)-2-(2,2-dimethylpyrrolidin-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) 1.90 5.32 -39.51 3 3 1 44 270.4 3 ↓
Mid Mid (pH 6-8) 1.90 6.09 -115.32 4 3 2 45 271.408 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-pyrrolidin-1-yl-2-(8-quinolyl)acetic (2S)-2-pyrrolidin-1-yl-2-(8-quin…

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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) 1.53 8.74 -35.03 1 4 0 57 256.305 3 ↓
Mid Mid (pH 6-8) 1.53 9.12 -51.62 2 4 1 59 257.313 3 ↓

Analogs

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Popular Name: (2R)-2-pyrrolidin-1-yl-2-(8-quinolyl)acetic (2R)-2-pyrrolidin-1-yl-2-(8-quin…

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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) 1.53 8.65 -36.77 1 4 0 57 256.305 3 ↓
Mid Mid (pH 6-8) 1.53 9.05 -50.96 2 4 1 59 257.313 3 ↓

Analogs

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Popular Name: (2S)-2-pyrrolidin-1-yl-2-(8-quinolyl)acetonitrile (2S)-2-pyrrolidin-1-yl-2-(8-quin…

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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) 2.07 6.43 -8.55 0 3 0 40 237.306 2 ↓

Analogs

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Popular Name: (2R)-2-pyrrolidin-1-yl-2-(8-quinolyl)acetonitrile (2R)-2-pyrrolidin-1-yl-2-(8-quin…

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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) 2.07 6.27 -8.78 0 3 0 40 237.306 2 ↓

Analogs

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Popular Name: (2R,3R,4S)-2-(hydroxymethyl)-1-[(4-methoxy-8-quinolyl)methyl]pyrrolidine-3,4-diol (2R,3R,4S)-2-(hydroxymethyl)-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) -0.09 -0.57 -31.22 4 6 1 87 305.354 4 ↓
Mid Mid (pH 6-8) -0.09 -2.29 -10.28 3 6 0 86 304.346 4 ↓
Mid Mid (pH 6-8) -0.09 -0.18 -96.19 5 6 2 88 306.362 4 ↓

Analogs

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Popular Name: (2R,3R,4S)-1-[(2-amino-8-quinolyl)methyl]-2-(hydroxymethyl)pyrrolidine-3,4-diol (2R,3R,4S)-1-[(2-amino-8-quinoly…

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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 -1.21 -28.92 6 6 1 104 290.343 3 ↓
Hi High (pH 8-9.5) -0.55 -2.94 -10.07 5 6 0 103 289.335 3 ↓
Lo Low (pH 4.5-6) -0.55 -0.79 -90.56 7 6 2 105 291.351 3 ↓

Analogs

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Popular Name: (2R,3R,4S)-1-[(4-chloro-2-methyl-8-quinolyl)methyl]-2-(hydroxymethyl)pyrrolidine-3,4-diol (2R,3R,4S)-1-[(4-chloro-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) 0.97 1.08 -31.34 4 5 1 78 323.8 3 ↓
Hi High (pH 8-9.5) 0.97 -0.68 -8.58 3 5 0 77 322.792 3 ↓

Analogs

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Popular Name: (2R,3R,4S)-1-[(2-chloro-8-quinolyl)methyl]-2-(hydroxymethyl)pyrrolidine-3,4-diol (2R,3R,4S)-1-[(2-chloro-8-quinol…

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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) 0.64 0.47 -29.19 4 5 1 78 309.773 3 ↓
Hi High (pH 8-9.5) 0.64 -1.28 -10.17 3 5 0 77 308.765 3 ↓

Analogs

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Popular Name: (2R,3R,4S)-1-[(4-amino-8-quinolyl)methyl]-2-(hydroxymethyl)pyrrolidine-3,4-diol (2R,3R,4S)-1-[(4-amino-8-quinoly…

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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) -0.66 -1.57 -91.52 7 6 2 105 291.351 3 ↓
Hi High (pH 8-9.5) -0.66 -3.72 -10.68 5 6 0 103 289.335 3 ↓
Hi High (pH 8-9.5) -0.66 -1.99 -29.08 6 6 1 104 290.343 3 ↓

Analogs

52311087
52311087
52311085
52311085

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Popular Name: (2S)-1-[(5-chloro-8-quinolyl)methyl]-N-methyl-pyrrolidine-2-carboxamide (2S)-1-[(5-chloro-8-quinolyl)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) 2.13 6.97 -37.62 2 4 1 46 304.801 3 ↓
Mid Mid (pH 6-8) 2.13 5.15 -11.12 1 4 0 45 303.793 3 ↓

Analogs

52311087
52311087
52311085
52311085

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Popular Name: (2R)-1-[(5-chloro-8-quinolyl)methyl]-N-methyl-pyrrolidine-2-carboxamide (2R)-1-[(5-chloro-8-quinolyl)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) 2.13 6.87 -38.95 2 4 1 46 304.801 3 ↓
Mid Mid (pH 6-8) 2.13 4.96 -13.81 1 4 0 45 303.793 3 ↓

Analogs

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Popular Name: (2R)-1-(8-quinolylmethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (2R)-1-(8-quinolylmethyl)-N-(2,2…

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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) 2.12 7.77 -37.34 2 4 1 46 338.353 5 ↓
Mid Mid (pH 6-8) 2.12 5.68 -11.77 1 4 0 45 337.345 5 ↓

Analogs

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Popular Name: (2S)-1-(8-quinolylmethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (2S)-1-(8-quinolylmethyl)-N-(2,2…

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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) 2.12 7.82 -36.91 2 4 1 46 338.353 5 ↓
Mid Mid (pH 6-8) 2.12 6.33 -11.07 1 4 0 45 337.345 5 ↓

Analogs

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Popular Name: (2R)-1-(8-quinolylmethyl)pyrrolidine-2-carboxamide (2R)-1-(8-quinolylmethyl)pyrroli…

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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 4.96 -36.19 3 4 1 60 256.329 3 ↓
Mid Mid (pH 6-8) 1.38 2.88 -13.9 2 4 0 59 255.321 3 ↓

Analogs

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Popular Name: (2S)-1-(8-quinolylmethyl)pyrrolidine-2-carboxamide (2S)-1-(8-quinolylmethyl)pyrroli…

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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 4.97 -36 3 4 1 60 256.329 3 ↓
Mid Mid (pH 6-8) 1.38 3.47 -13.14 2 4 0 59 255.321 3 ↓

Analogs

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Popular Name: [(2R)-1-[(7-chloro-8-quinolyl)methyl]pyrrolidin-2-yl]methanol [(2R)-1-[(7-chloro-8-quinolyl)me…

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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) 2.09 5.8 -25.39 2 3 1 38 277.775 3 ↓
Hi High (pH 8-9.5) 2.09 3.43 -7.77 1 3 0 36 276.767 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-1-[(7-chloro-8-quinolyl)methyl]pyrrolidin-2-yl]methanol [(2S)-1-[(7-chloro-8-quinolyl)me…

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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) 2.09 6.34 -25.2 2 3 1 38 277.775 3 ↓
Hi High (pH 8-9.5) 2.09 4.15 -7.54 1 3 0 36 276.767 3 ↓

Analogs

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Popular Name: (2S)-N-methyl-1-(8-quinolylmethyl)pyrrolidine-2-carboxamide (2S)-N-methyl-1-(8-quinolylmethy…

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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) 1.19 6.54 -34.96 2 4 1 46 270.356 3 ↓

Analogs

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Popular Name: (2R)-N-methyl-1-(8-quinolylmethyl)pyrrolidine-2-carboxamide (2R)-N-methyl-1-(8-quinolylmethy…

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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) 1.19 6.4 -33.86 2 4 1 46 270.356 3 ↓

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