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Analogs

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Popular Name: (3S)-3-methyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine (3S)-3-methyl-3-(pyrrolidin-1-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) 1.28 4.86 -97.65 3 2 2 21 170.3 2 ↓
Mid Mid (pH 6-8) 1.28 3.19 -36.64 2 2 1 20 169.292 2 ↓

Analogs

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Popular Name: (3R)-3-methyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine (3R)-3-methyl-3-(pyrrolidin-1-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) 1.28 4.95 -95.16 3 2 2 21 170.3 2 ↓
Mid Mid (pH 6-8) 1.28 3.16 -36.67 2 2 1 20 169.292 2 ↓

Analogs

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Popular Name: (3S)-3-ethyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine (3S)-3-ethyl-3-(pyrrolidin-1-ylm…

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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) 1.61 5.48 -99.74 3 2 2 21 184.327 3 ↓
Mid Mid (pH 6-8) 1.61 3.6 -34.79 2 2 1 20 183.319 3 ↓

Analogs

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Popular Name: (3R)-3-ethyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine (3R)-3-ethyl-3-(pyrrolidin-1-ylm…

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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) 1.61 5.39 -96.79 3 2 2 21 184.327 3 ↓
Mid Mid (pH 6-8) 1.61 3.34 -37.79 2 2 1 20 183.319 3 ↓

Analogs

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Popular Name: (3S)-3-propyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine (3S)-3-propyl-3-(pyrrolidin-1-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) 2.17 6.31 -100.52 3 2 2 21 198.354 4 ↓
Mid Mid (pH 6-8) 2.17 4.37 -37.74 2 2 1 20 197.346 4 ↓

Analogs

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Popular Name: (3R)-3-propyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine (3R)-3-propyl-3-(pyrrolidin-1-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) 2.17 6.12 -98.77 3 2 2 21 198.354 4 ↓
Mid Mid (pH 6-8) 2.17 4.07 -38.63 2 2 1 20 197.346 4 ↓

Analogs

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Popular Name: (2R)-2-methyl-1-[[(3R)-3-methylpyrrolidin-3-yl]methyl]pyrrolidine (2R)-2-methyl-1-[[(3R)-3-methylp…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.61 5.65 -97.06 3 2 2 21 184.327 2 ↓
Mid Mid (pH 6-8) 1.61 3.87 -36.77 2 2 1 20 183.319 2 ↓

Analogs

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Popular Name: (2S)-2-methyl-1-[[(3R)-3-methylpyrrolidin-3-yl]methyl]pyrrolidine (2S)-2-methyl-1-[[(3R)-3-methylp…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.61 5.66 -94.1 3 2 2 21 184.327 2 ↓
Mid Mid (pH 6-8) 1.61 4.11 -36.99 2 2 1 20 183.319 2 ↓

Analogs

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Popular Name: (2S)-1-[[(3S)-3-ethylpyrrolidin-3-yl]methyl]-2-methyl-pyrrolidine (2S)-1-[[(3S)-3-ethylpyrrolidin-…

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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 5.77 -99.04 3 2 2 21 198.354 3 ↓
Mid Mid (pH 6-8) 1.94 3.99 -35.08 2 2 1 20 197.346 3 ↓

Analogs

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Popular Name: (2S)-1-[[(3R)-3-ethylpyrrolidin-3-yl]methyl]-2-methyl-pyrrolidine (2S)-1-[[(3R)-3-ethylpyrrolidin-…

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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 6.02 -96.31 3 2 2 21 198.354 3 ↓
Mid Mid (pH 6-8) 1.94 4.17 -37.78 2 2 1 20 197.346 3 ↓

Analogs

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Popular Name: (2S)-2-methyl-1-[[(3S)-3-propylpyrrolidin-3-yl]methyl]pyrrolidine (2S)-2-methyl-1-[[(3S)-3-propylp…

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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) 2.50 6.96 -100.17 3 2 2 21 212.381 4 ↓
Mid Mid (pH 6-8) 2.50 5.24 -37.72 2 2 1 20 211.373 4 ↓

Analogs

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Popular Name: (2S)-2-methyl-1-[[(3R)-3-propylpyrrolidin-3-yl]methyl]pyrrolidine (2S)-2-methyl-1-[[(3R)-3-propylp…

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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) 2.50 6.41 -97.79 3 2 2 21 212.381 4 ↓
Mid Mid (pH 6-8) 2.50 4.58 -37.96 2 2 1 20 211.373 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-ethyl-1-[[(3R)-3-methylpyrrolidin-3-yl]methyl]pyrrolidine (2R)-2-ethyl-1-[[(3R)-3-methylpy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.14 6.33 -93.79 3 2 2 21 198.354 3 ↓
Mid Mid (pH 6-8) 2.14 4.65 -36.8 2 2 1 20 197.346 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-ethyl-1-[[(3R)-3-methylpyrrolidin-3-yl]methyl]pyrrolidine (2S)-2-ethyl-1-[[(3R)-3-methylpy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.14 6.52 -94.6 3 2 2 21 198.354 3 ↓
Mid Mid (pH 6-8) 2.14 5.11 -36.97 2 2 1 20 197.346 3 ↓

Analogs

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Popular Name: (2R)-2-ethyl-1-[[(3R)-3-ethylpyrrolidin-3-yl]methyl]pyrrolidine (2R)-2-ethyl-1-[[(3R)-3-ethylpyr…

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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) 2.48 6.73 -94.99 3 2 2 21 212.381 4 ↓
Mid Mid (pH 6-8) 2.48 5 -37.07 2 2 1 20 211.373 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-ethyl-1-[[(3R)-3-ethylpyrrolidin-3-yl]methyl]pyrrolidine (2S)-2-ethyl-1-[[(3R)-3-ethylpyr…

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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) 2.48 6.26 -97.24 3 2 2 21 212.381 4 ↓
Mid Mid (pH 6-8) 2.48 4.26 -36.68 2 2 1 20 211.373 4 ↓

Analogs

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Popular Name: (2S)-2-ethyl-1-[[(3S)-3-propylpyrrolidin-3-yl]methyl]pyrrolidine (2S)-2-ethyl-1-[[(3S)-3-propylpy…

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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) 3.04 7.26 -97.74 3 2 2 21 226.408 5 ↓
Mid Mid (pH 6-8) 3.04 5.46 -38.13 2 2 1 20 225.4 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-ethyl-1-[[(3R)-3-propylpyrrolidin-3-yl]methyl]pyrrolidine (2S)-2-ethyl-1-[[(3R)-3-propylpy…

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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) 3.04 7.06 -99.4 3 2 2 21 226.408 5 ↓
Mid Mid (pH 6-8) 3.04 5.11 -37.43 2 2 1 20 225.4 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-1-[[(3R)-3-methylpyrrolidin-3-yl]methyl]pyrrolidine (3R)-3-methyl-1-[[(3R)-3-methylp…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.75 5.61 -98.97 3 2 2 21 184.327 2 ↓
Mid Mid (pH 6-8) 1.75 3.62 -36.9 2 2 1 20 183.319 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-1-[[(3R)-3-methylpyrrolidin-3-yl]methyl]pyrrolidine (3S)-3-methyl-1-[[(3R)-3-methylp…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.75 5.68 -95.9 3 2 2 21 184.327 2 ↓
Mid Mid (pH 6-8) 1.75 3.87 -37.04 2 2 1 20 183.319 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[[(3S)-3-ethylpyrrolidin-3-yl]methyl]-3-methyl-pyrrolidine (3S)-1-[[(3S)-3-ethylpyrrolidin-…

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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 6.16 -100.41 3 2 2 21 198.354 3 ↓
Mid Mid (pH 6-8) 2.09 4.23 -37.41 2 2 1 20 197.346 3 ↓

Analogs

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Popular Name: (3S)-1-[[(3R)-3-ethylpyrrolidin-3-yl]methyl]-3-methyl-pyrrolidine (3S)-1-[[(3R)-3-ethylpyrrolidin-…

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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 5.97 -100.19 3 2 2 21 198.354 3 ↓
Mid Mid (pH 6-8) 2.09 4.02 -37.11 2 2 1 20 197.346 3 ↓

Analogs

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Popular Name: (3S)-3-methyl-1-[[(3S)-3-propylpyrrolidin-3-yl]methyl]pyrrolidine (3S)-3-methyl-1-[[(3S)-3-propylp…

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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) 2.65 6.98 -104.34 3 2 2 21 212.381 4 ↓
Mid Mid (pH 6-8) 2.65 5.55 -35.83 2 2 1 20 211.373 4 ↓

Analogs

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Popular Name: (3S)-3-methyl-1-[[(3R)-3-propylpyrrolidin-3-yl]methyl]pyrrolidine (3S)-3-methyl-1-[[(3R)-3-propylp…

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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) 2.65 6.72 -100.29 3 2 2 21 212.381 4 ↓
Mid Mid (pH 6-8) 2.65 4.68 -38.6 2 2 1 20 211.373 4 ↓

Analogs

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Popular Name: N,N-dimethyl-1-[(2R)-1-[[(3S)-3-methylpyrrolidin-3-yl]methyl]pyrrolidin-2-yl]methanamine N,N-dimethyl-1-[(2R)-1-[[(3S)-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) 1.29 5.01 -85.43 3 3 2 24 227.396 4 ↓
Mid Mid (pH 6-8) 1.29 4.54 -95.61 3 3 2 24 227.396 4 ↓
Mid Mid (pH 6-8) 1.29 2.89 -37.16 2 3 1 23 226.388 4 ↓

Analogs

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Popular Name: N,N-dimethyl-1-[(2R)-1-[[(3R)-3-methylpyrrolidin-3-yl]methyl]pyrrolidin-2-yl]methanamine N,N-dimethyl-1-[(2R)-1-[[(3R)-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) 1.29 4.48 -91.12 3 3 2 24 227.396 4 ↓
Mid Mid (pH 6-8) 1.29 4.25 -97.64 3 3 2 24 227.396 4 ↓
Mid Mid (pH 6-8) 1.29 2.26 -37.26 2 3 1 23 226.388 4 ↓

Analogs

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Popular Name: 1-[(2R)-1-[[(3S)-3-ethylpyrrolidin-3-yl]methyl]pyrrolidin-2-yl]-N,N-dimethyl-methanamine 1-[(2R)-1-[[(3S)-3-ethylpyrrolid…

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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 5.76 -88.07 3 3 2 24 241.423 5 ↓
Mid Mid (pH 6-8) 1.63 3.48 -37.56 2 3 1 23 240.415 5 ↓
Mid Mid (pH 6-8) 1.63 5.1 -97.79 3 3 2 24 241.423 5 ↓

Analogs

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Popular Name: 1-[(2R)-1-[[(3R)-3-ethylpyrrolidin-3-yl]methyl]pyrrolidin-2-yl]-N,N-dimethyl-methanamine 1-[(2R)-1-[[(3R)-3-ethylpyrrolid…

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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 4.94 -92.26 3 3 2 24 241.423 5 ↓
Mid Mid (pH 6-8) 1.63 2.72 -37.4 2 3 1 23 240.415 5 ↓
Mid Mid (pH 6-8) 1.63 4.63 -99.11 3 3 2 24 241.423 5 ↓

Analogs

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Popular Name: N,N-dimethyl-1-[(2R)-1-[[(3S)-3-propylpyrrolidin-3-yl]methyl]pyrrolidin-2-yl]methanamine N,N-dimethyl-1-[(2R)-1-[[(3S)-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) 2.19 6.94 -95.15 3 3 2 24 255.45 6 ↓
Mid Mid (pH 6-8) 2.19 6.65 -94.04 3 3 2 24 255.45 6 ↓
Mid Mid (pH 6-8) 2.19 4.24 -38.34 2 3 1 23 254.442 6 ↓

Analogs

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Popular Name: N,N-dimethyl-1-[(2R)-1-[[(3R)-3-propylpyrrolidin-3-yl]methyl]pyrrolidin-2-yl]methanamine N,N-dimethyl-1-[(2R)-1-[[(3R)-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) 2.19 7.22 -87.25 3 3 2 24 255.45 6 ↓
Mid Mid (pH 6-8) 2.19 4.26 -39.8 2 3 1 23 254.442 6 ↓
Mid Mid (pH 6-8) 2.19 6.18 -95.92 3 3 2 24 255.45 6 ↓

Analogs

45665613
45665613
45665614
45665614

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Popular Name: (3R)-N,N-dimethyl-1-[[(3R)-pyrrolidin-3-yl]methyl]pyrrolidin-3-amine (3R)-N,N-dimethyl-1-[[(3R)-pyrro…

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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) 0.78 3.49 -80.64 3 3 2 24 199.342 3 ↓
Hi High (pH 8-9.5) 0.78 1.08 -37.08 2 3 1 23 198.334 3 ↓
Lo Low (pH 4.5-6) 0.78 5.88 -181.62 4 3 3 25 200.35 3 ↓

Analogs

45665613
45665613
45665614
45665614

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N,N-dimethyl-1-[[(3R)-pyrrolidin-3-yl]methyl]pyrrolidin-3-amine (3S)-N,N-dimethyl-1-[[(3R)-pyrro…

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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) 0.78 3.5 -81.13 3 3 2 24 199.342 3 ↓
Hi High (pH 8-9.5) 0.78 1.12 -37 2 3 1 23 198.334 3 ↓
Lo Low (pH 4.5-6) 0.78 5.88 -180.77 4 3 3 25 200.35 3 ↓

Analogs

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Popular Name: (3R)-N,N-diethyl-1-[[(3R)-pyrrolidin-3-yl]methyl]pyrrolidin-3-amine (3R)-N,N-diethyl-1-[[(3R)-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) 1.53 4.52 -79.51 3 3 2 24 227.396 5 ↓
Hi High (pH 8-9.5) 1.53 2.4 -36.52 2 3 1 23 226.388 5 ↓
Lo Low (pH 4.5-6) 1.53 6.9 -183.83 4 3 3 25 228.404 5 ↓

Analogs

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Popular Name: (3S)-N,N-diethyl-1-[[(3R)-pyrrolidin-3-yl]methyl]pyrrolidin-3-amine (3S)-N,N-diethyl-1-[[(3R)-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) 1.53 4.2 -80.57 3 3 2 24 227.396 5 ↓
Hi High (pH 8-9.5) 1.53 2.05 -37.68 2 3 1 23 226.388 5 ↓
Lo Low (pH 4.5-6) 1.53 6.85 -183.93 4 3 3 25 228.404 5 ↓

Parameters Provided:

ring.id = 306425
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 = 306425 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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