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Popular Name: 2-[(3R)-1-benzylpyrrolidin-3-yl]oxy-N-methyl-ethanamine 2-[(3R)-1-benzylpyrrolidin-3-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) 1.63 6.93 -92.22 3 3 2 30 236.359 6 ↓
Hi High (pH 8-9.5) 1.63 4.47 -36.96 2 3 1 29 235.351 6 ↓

Analogs

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Popular Name: 2-[(3S)-1-benzylpyrrolidin-3-yl]oxy-N-methyl-ethanamine 2-[(3S)-1-benzylpyrrolidin-3-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) 1.63 6.88 -90.91 3 3 2 30 236.359 6 ↓
Hi High (pH 8-9.5) 1.63 4.42 -37.1 2 3 1 29 235.351 6 ↓

Analogs

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Popular Name: N-[2-[(3R)-1-benzylpyrrolidin-3-yl]oxyethyl]propan-1-amine N-[2-[(3R)-1-benzylpyrrolidin-3-…

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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) 2.16 8.53 -93.55 3 3 2 30 264.413 8 ↓
Hi High (pH 8-9.5) 2.16 6.06 -37.12 2 3 1 29 263.405 8 ↓

Analogs

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Popular Name: N-[2-[(3S)-1-benzylpyrrolidin-3-yl]oxyethyl]propan-1-amine N-[2-[(3S)-1-benzylpyrrolidin-3-…

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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) 2.16 8.48 -92.27 3 3 2 30 264.413 8 ↓
Hi High (pH 8-9.5) 2.16 6.04 -37.2 2 3 1 29 263.405 8 ↓

Analogs

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Popular Name: N-[2-[(3R)-1-benzylpyrrolidin-3-yl]oxyethyl]propan-2-amine N-[2-[(3R)-1-benzylpyrrolidin-3-…

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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) 2.30 8.17 -91.14 3 3 2 30 264.413 7 ↓
Hi High (pH 8-9.5) 2.30 5.83 -34.89 2 3 1 29 263.405 7 ↓

Analogs

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Popular Name: N-[2-[(3S)-1-benzylpyrrolidin-3-yl]oxyethyl]propan-2-amine N-[2-[(3S)-1-benzylpyrrolidin-3-…

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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) 2.30 8.25 -90.23 3 3 2 30 264.413 7 ↓
Hi High (pH 8-9.5) 2.30 5.81 -35.07 2 3 1 29 263.405 7 ↓

Analogs

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Popular Name: N-[2-[(3R)-1-benzylpyrrolidin-3-yl]oxyethyl]-2-methyl-propan-2-amine N-[2-[(3R)-1-benzylpyrrolidin-3-…

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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) 2.82 8.74 -90.81 3 3 2 30 278.44 7 ↓
Hi High (pH 8-9.5) 2.82 6.27 -33.95 2 3 1 29 277.432 7 ↓

Analogs

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Popular Name: N-[2-[(3S)-1-benzylpyrrolidin-3-yl]oxyethyl]-2-methyl-propan-2-amine N-[2-[(3S)-1-benzylpyrrolidin-3-…

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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) 2.82 8.69 -89.6 3 3 2 30 278.44 7 ↓
Hi High (pH 8-9.5) 2.82 6.23 -33.97 2 3 1 29 277.432 7 ↓

Analogs

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Popular Name: 3-[(3R)-1-benzylpyrrolidin-3-yl]oxy-N-propyl-propan-1-amine 3-[(3R)-1-benzylpyrrolidin-3-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) 2.43 9.21 -87.6 3 3 2 30 278.44 9 ↓
Hi High (pH 8-9.5) 2.43 6.74 -39.55 2 3 1 29 277.432 9 ↓

Analogs

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Popular Name: 3-[(3S)-1-benzylpyrrolidin-3-yl]oxy-N-propyl-propan-1-amine 3-[(3S)-1-benzylpyrrolidin-3-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) 2.43 9.16 -87.83 3 3 2 30 278.44 9 ↓
Hi High (pH 8-9.5) 2.43 6.7 -39.1 2 3 1 29 277.432 9 ↓

Analogs

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Popular Name: N-[3-[(3R)-1-benzylpyrrolidin-3-yl]oxypropyl]-2-methyl-propan-1-amine N-[3-[(3R)-1-benzylpyrrolidin-3-…

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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) 2.67 9.89 -88.14 3 3 2 30 292.467 9 ↓
Hi High (pH 8-9.5) 2.67 7.43 -39.56 2 3 1 29 291.459 9 ↓

Analogs

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Popular Name: N-[3-[(3S)-1-benzylpyrrolidin-3-yl]oxypropyl]-2-methyl-propan-1-amine N-[3-[(3S)-1-benzylpyrrolidin-3-…

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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) 2.67 9.84 -88.28 3 3 2 30 292.467 9 ↓
Hi High (pH 8-9.5) 2.67 7.39 -39.24 2 3 1 29 291.459 9 ↓

Analogs

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Popular Name: (2S)-2-[(3R)-1-benzylpyrrolidin-3-yl]oxy-3-methyl-butan-1-amine (2S)-2-[(3R)-1-benzylpyrrolidin-…

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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) 1.76 7.16 -110.74 4 3 2 41 264.413 6 ↓
Hi High (pH 8-9.5) 1.76 4.81 -45.45 3 3 1 40 263.405 6 ↓

Analogs

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Popular Name: (2R)-2-[(3R)-1-benzylpyrrolidin-3-yl]oxy-3-methyl-butan-1-amine (2R)-2-[(3R)-1-benzylpyrrolidin-…

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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) 1.76 6.94 -102.7 4 3 2 41 264.413 6 ↓
Hi High (pH 8-9.5) 1.76 4.59 -45.29 3 3 1 40 263.405 6 ↓

Analogs

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Popular Name: (2S)-2-[(3S)-1-benzylpyrrolidin-3-yl]oxy-3-methyl-butan-1-amine (2S)-2-[(3S)-1-benzylpyrrolidin-…

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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) 1.76 7.02 -101.71 4 3 2 41 264.413 6 ↓
Hi High (pH 8-9.5) 1.76 4.57 -45.25 3 3 1 40 263.405 6 ↓

Analogs

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Popular Name: (2R)-2-[(3S)-1-benzylpyrrolidin-3-yl]oxy-3-methyl-butan-1-amine (2R)-2-[(3S)-1-benzylpyrrolidin-…

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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) 1.76 7.19 -111.4 4 3 2 41 264.413 6 ↓
Hi High (pH 8-9.5) 1.76 4.74 -44.96 3 3 1 40 263.405 6 ↓

Analogs

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Popular Name: 5-[(3S)-1-benzylpyrrolidin-3-yl]oxypentan-1-amine 5-[(3S)-1-benzylpyrrolidin-3-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) 1.70 7.31 -86.06 4 3 2 41 264.413 8 ↓
Hi High (pH 8-9.5) 1.70 4.81 -43.16 3 3 1 40 263.405 8 ↓

Analogs

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Popular Name: 5-[(3R)-1-benzylpyrrolidin-3-yl]oxypentan-1-amine 5-[(3R)-1-benzylpyrrolidin-3-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) 1.70 7.18 -86.5 4 3 2 41 264.413 8 ↓
Hi High (pH 8-9.5) 1.70 4.85 -43.68 3 3 1 40 263.405 8 ↓

Analogs

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Popular Name: 4-[(3S)-1-benzylpyrrolidin-3-yl]oxybutan-1-amine 4-[(3S)-1-benzylpyrrolidin-3-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) 1.19 6.52 -88.11 4 3 2 41 250.386 7 ↓
Hi High (pH 8-9.5) 1.19 4.03 -43.62 3 3 1 40 249.378 7 ↓

Analogs

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Popular Name: 4-[(3R)-1-benzylpyrrolidin-3-yl]oxybutan-1-amine 4-[(3R)-1-benzylpyrrolidin-3-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) 1.19 6.4 -88.67 4 3 2 41 250.386 7 ↓
Hi High (pH 8-9.5) 1.19 4.07 -44.26 3 3 1 40 249.378 7 ↓

Analogs

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Popular Name: (4S)-4-[(3R)-1-benzylpyrrolidin-3-yl]oxypentan-1-amine (4S)-4-[(3R)-1-benzylpyrrolidin-…

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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) 1.55 7.02 -95.03 4 3 2 41 264.413 7 ↓
Hi High (pH 8-9.5) 1.55 4.67 -42.77 3 3 1 40 263.405 7 ↓

Analogs

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Popular Name: (4R)-4-[(3R)-1-benzylpyrrolidin-3-yl]oxypentan-1-amine (4R)-4-[(3R)-1-benzylpyrrolidin-…

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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) 1.55 7.16 -92.76 4 3 2 41 264.413 7 ↓
Hi High (pH 8-9.5) 1.55 4.81 -43.65 3 3 1 40 263.405 7 ↓

Analogs

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Popular Name: (4S)-4-[(3S)-1-benzylpyrrolidin-3-yl]oxypentan-1-amine (4S)-4-[(3S)-1-benzylpyrrolidin-…

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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) 1.55 7.24 -92.79 4 3 2 41 264.413 7 ↓
Hi High (pH 8-9.5) 1.55 4.79 -43.39 3 3 1 40 263.405 7 ↓

Analogs

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Popular Name: (4R)-4-[(3S)-1-benzylpyrrolidin-3-yl]oxypentan-1-amine (4R)-4-[(3S)-1-benzylpyrrolidin-…

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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) 1.55 7.12 -95.47 4 3 2 41 264.413 7 ↓
Hi High (pH 8-9.5) 1.55 4.67 -42.89 3 3 1 40 263.405 7 ↓

Analogs

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Popular Name: (4S)-4-[(3R)-1-benzylpyrrolidin-3-yl]oxy-N-methyl-pentan-1-amine (4S)-4-[(3R)-1-benzylpyrrolidin-…

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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) 2.53 8.9 -90.78 3 3 2 30 278.44 8 ↓
Hi High (pH 8-9.5) 2.53 6.55 -38.21 2 3 1 29 277.432 8 ↓

Analogs

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Popular Name: (4R)-4-[(3R)-1-benzylpyrrolidin-3-yl]oxy-N-methyl-pentan-1-amine (4R)-4-[(3R)-1-benzylpyrrolidin-…

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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) 2.53 9.04 -88.48 3 3 2 30 278.44 8 ↓
Hi High (pH 8-9.5) 2.53 6.69 -38.99 2 3 1 29 277.432 8 ↓

Analogs

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Popular Name: (4S)-4-[(3S)-1-benzylpyrrolidin-3-yl]oxy-N-methyl-pentan-1-amine (4S)-4-[(3S)-1-benzylpyrrolidin-…

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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) 2.53 9.11 -88.59 3 3 2 30 278.44 8 ↓
Hi High (pH 8-9.5) 2.53 6.67 -38.82 2 3 1 29 277.432 8 ↓

Analogs

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Popular Name: (4R)-4-[(3S)-1-benzylpyrrolidin-3-yl]oxy-N-methyl-pentan-1-amine (4R)-4-[(3S)-1-benzylpyrrolidin-…

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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) 2.53 8.91 -91.42 3 3 2 30 278.44 8 ↓
Hi High (pH 8-9.5) 2.53 6.58 -39.01 2 3 1 29 277.432 8 ↓

Analogs

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Popular Name: (4R)-4-[(3R)-1-benzylpyrrolidin-3-yl]oxy-N-ethyl-pentan-1-amine (4R)-4-[(3R)-1-benzylpyrrolidin-…

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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) 2.56 9.89 -88.04 3 3 2 30 292.467 9 ↓
Hi High (pH 8-9.5) 2.56 7.54 -38.23 2 3 1 29 291.459 9 ↓

Analogs

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Popular Name: (4S)-4-[(3R)-1-benzylpyrrolidin-3-yl]oxy-N-ethyl-pentan-1-amine (4S)-4-[(3R)-1-benzylpyrrolidin-…

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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) 2.56 9.75 -90.36 3 3 2 30 292.467 9 ↓
Hi High (pH 8-9.5) 2.56 7.4 -37.43 2 3 1 29 291.459 9 ↓

Analogs

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Popular Name: (4R)-4-[(3S)-1-benzylpyrrolidin-3-yl]oxy-N-ethyl-pentan-1-amine (4R)-4-[(3S)-1-benzylpyrrolidin-…

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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) 2.56 9.76 -90.96 3 3 2 30 292.467 9 ↓
Hi High (pH 8-9.5) 2.56 7.43 -38.26 2 3 1 29 291.459 9 ↓

Analogs

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Popular Name: (4S)-4-[(3S)-1-benzylpyrrolidin-3-yl]oxy-N-ethyl-pentan-1-amine (4S)-4-[(3S)-1-benzylpyrrolidin-…

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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) 2.56 9.96 -88.08 3 3 2 30 292.467 9 ↓
Hi High (pH 8-9.5) 2.56 7.51 -38.01 2 3 1 29 291.459 9 ↓

Analogs

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Popular Name: 5-[(3R)-1-benzylpyrrolidin-3-yl]oxy-N-methyl-pentan-1-amine 5-[(3R)-1-benzylpyrrolidin-3-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) 2.68 9.17 -81.87 3 3 2 30 278.44 9 ↓
Hi High (pH 8-9.5) 2.68 6.71 -39.12 2 3 1 29 277.432 9 ↓

Analogs

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Popular Name: 5-[(3S)-1-benzylpyrrolidin-3-yl]oxy-N-methyl-pentan-1-amine 5-[(3S)-1-benzylpyrrolidin-3-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) 2.68 9.12 -82.01 3 3 2 30 278.44 9 ↓
Hi High (pH 8-9.5) 2.68 6.66 -38.54 2 3 1 29 277.432 9 ↓

Analogs

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Popular Name: 5-[(3R)-1-benzylpyrrolidin-3-yl]oxy-N-ethyl-pentan-1-amine 5-[(3R)-1-benzylpyrrolidin-3-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) 2.70 10.02 -81.55 3 3 2 30 292.467 10 ↓
Hi High (pH 8-9.5) 2.70 7.56 -38.47 2 3 1 29 291.459 10 ↓

Analogs

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Popular Name: 5-[(3S)-1-benzylpyrrolidin-3-yl]oxy-N-ethyl-pentan-1-amine 5-[(3S)-1-benzylpyrrolidin-3-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) 2.70 9.97 -81.62 3 3 2 30 292.467 10 ↓
Hi High (pH 8-9.5) 2.70 7.51 -37.82 2 3 1 29 291.459 10 ↓

Analogs

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Popular Name: 2-(1-Benzyl-pyrrolidin-3-yloxy)-ethylamine 2-(1-Benzyl-pyrrolidin-3-yloxy)-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.65 5.06 -95.6 4 3 2 41 222.332 5 ↓
Hi High (pH 8-9.5) 0.65 2.56 -41.84 3 3 1 40 221.324 5 ↓

Analogs

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Popular Name: 2-(1-Benzyl-pyrrolidin-3-yloxy)-ethylamine 2-(1-Benzyl-pyrrolidin-3-yloxy)-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.65 4.93 -96.27 4 3 2 41 222.332 5 ↓
Hi High (pH 8-9.5) 0.65 2.6 -41.75 3 3 1 40 221.324 5 ↓

Analogs

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Popular Name: (2S)-2-[(3R)-1-benzylpyrrolidin-3-yl]oxybutan-1-amine (2S)-2-[(3R)-1-benzylpyrrolidin-…

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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) 1.51 6.52 -109 4 3 2 41 250.386 6 ↓
Hi High (pH 8-9.5) 1.51 4.17 -44.96 3 3 1 40 249.378 6 ↓

Analogs

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Popular Name: (2R)-2-[(3R)-1-benzylpyrrolidin-3-yl]oxybutan-1-amine (2R)-2-[(3R)-1-benzylpyrrolidin-…

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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) 1.51 6.35 -98.92 4 3 2 41 250.386 6 ↓
Hi High (pH 8-9.5) 1.51 3.89 -42.38 3 3 1 40 249.378 6 ↓

Analogs

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Popular Name: (2S)-2-[(3S)-1-benzylpyrrolidin-3-yl]oxybutan-1-amine (2S)-2-[(3S)-1-benzylpyrrolidin-…

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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) 1.51 6.21 -98.66 4 3 2 41 250.386 6 ↓
Hi High (pH 8-9.5) 1.51 3.88 -43.4 3 3 1 40 249.378 6 ↓

Analogs

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Popular Name: (2R)-2-[(3S)-1-benzylpyrrolidin-3-yl]oxybutan-1-amine (2R)-2-[(3S)-1-benzylpyrrolidin-…

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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) 1.51 6.61 -109.9 4 3 2 41 250.386 6 ↓
Hi High (pH 8-9.5) 1.51 4.17 -45.07 3 3 1 40 249.378 6 ↓

Analogs

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Popular Name: 3-[(3R)-1-benzylpyrrolidin-3-yl]oxy-N-methyl-propan-1-amine 3-[(3R)-1-benzylpyrrolidin-3-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) 1.90 7.61 -86.46 3 3 2 30 250.386 7 ↓
Hi High (pH 8-9.5) 1.90 5.14 -39.25 2 3 1 29 249.378 7 ↓

Analogs

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Popular Name: 3-[(3S)-1-benzylpyrrolidin-3-yl]oxy-N-methyl-propan-1-amine 3-[(3S)-1-benzylpyrrolidin-3-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) 1.90 7.55 -86.61 3 3 2 30 250.386 7 ↓
Hi High (pH 8-9.5) 1.90 5.1 -38.93 2 3 1 29 249.378 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(3R)-1-benzylpyrrolidin-3-yl]oxy-N-methyl-propan-1-amine (2S)-2-[(3R)-1-benzylpyrrolidin-…

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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) 1.99 7.39 -95.89 3 3 2 30 250.386 6 ↓
Hi High (pH 8-9.5) 1.99 5.04 -38.01 2 3 1 29 249.378 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(3R)-1-benzylpyrrolidin-3-yl]oxy-N-methyl-propan-1-amine (2R)-2-[(3R)-1-benzylpyrrolidin-…

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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) 1.99 7.55 -93.41 3 3 2 30 250.386 6 ↓
Hi High (pH 8-9.5) 1.99 5.21 -38.48 2 3 1 29 249.378 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(3S)-1-benzylpyrrolidin-3-yl]oxy-N-methyl-propan-1-amine (2S)-2-[(3S)-1-benzylpyrrolidin-…

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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) 1.99 7.59 -93.33 3 3 2 30 250.386 6 ↓
Hi High (pH 8-9.5) 1.99 5.14 -38.49 2 3 1 29 249.378 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(3S)-1-benzylpyrrolidin-3-yl]oxy-N-methyl-propan-1-amine (2R)-2-[(3S)-1-benzylpyrrolidin-…

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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) 1.99 7.52 -96.4 3 3 2 30 250.386 6 ↓
Hi High (pH 8-9.5) 1.99 5.07 -38.01 2 3 1 29 249.378 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(3R)-1-benzylpyrrolidin-3-yl]oxy-N-ethyl-propan-1-amine (2R)-2-[(3R)-1-benzylpyrrolidin-…

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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 8.41 -92.94 3 3 2 30 264.413 7 ↓
Hi High (pH 8-9.5) 2.02 6.07 -37.6 2 3 1 29 263.405 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(3R)-1-benzylpyrrolidin-3-yl]oxy-N-ethyl-propan-1-amine (2S)-2-[(3R)-1-benzylpyrrolidin-…

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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 8.24 -95.34 3 3 2 30 264.413 7 ↓
Hi High (pH 8-9.5) 2.02 5.89 -37.18 2 3 1 29 263.405 7 ↓

Parameters Provided:

ring.id = 7461
filter.purchasability = annotated
page.format = targets
page.num = 1

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 = 7461 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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