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Popular Name: (3R)-1-methyl-N-[(2R,4R)-2-propyltetrahydropyran-4-yl]pyrrolidin-3-amine (3R)-1-methyl-N-[(2R,4R)-2-propy…

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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) 2.05 5.14 -34.81 2 3 1 26 227.372 4 ↓
Hi High (pH 8-9.5) 2.05 3.54 -38.95 2 3 1 29 227.372 4 ↓
Hi High (pH 8-9.5) 2.05 2.44 -1.56 1 3 0 24 226.364 4 ↓

Analogs

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Popular Name: (3R)-1-methyl-N-[(2S,4R)-2-propyltetrahydropyran-4-yl]pyrrolidin-3-amine (3R)-1-methyl-N-[(2S,4R)-2-propy…

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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) 2.05 5.39 -35.11 2 3 1 26 227.372 4 ↓
Hi High (pH 8-9.5) 2.05 3.72 -38.1 2 3 1 29 227.372 4 ↓
Hi High (pH 8-9.5) 2.05 2.69 -1.49 1 3 0 24 226.364 4 ↓

Analogs

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Popular Name: (3R)-1-methyl-N-[(2R,4S)-2-propyltetrahydropyran-4-yl]pyrrolidin-3-amine (3R)-1-methyl-N-[(2R,4S)-2-propy…

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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) 2.05 5.45 -35.53 2 3 1 26 227.372 4 ↓
Hi High (pH 8-9.5) 2.05 3.74 -38.17 2 3 1 29 227.372 4 ↓
Hi High (pH 8-9.5) 2.05 3.05 -1.75 1 3 0 24 226.364 4 ↓

Analogs

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Popular Name: (3R)-1-methyl-N-[(2S,4S)-2-propyltetrahydropyran-4-yl]pyrrolidin-3-amine (3R)-1-methyl-N-[(2S,4S)-2-propy…

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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) 2.05 4.99 -35.17 2 3 1 26 227.372 4 ↓
Hi High (pH 8-9.5) 2.05 3.57 -39 2 3 1 29 227.372 4 ↓
Hi High (pH 8-9.5) 2.05 2.57 -2.04 1 3 0 24 226.364 4 ↓

Analogs

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Popular Name: (3R)-N-[(2R,4R)-2-ethyl-2-methyl-tetrahydropyran-4-yl]-1-methyl-pyrrolidin-3-amine (3R)-N-[(2R,4R)-2-ethyl-2-methyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.93 4.64 -34.26 2 3 1 26 227.372 3 ↓
Hi High (pH 8-9.5) 1.93 3.06 -38.25 2 3 1 29 227.372 3 ↓
Hi High (pH 8-9.5) 1.93 1.85 -1.72 1 3 0 24 226.364 3 ↓

Analogs

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Popular Name: (3R)-N-[(2S,4R)-2-ethyl-2-methyl-tetrahydropyran-4-yl]-1-methyl-pyrrolidin-3-amine (3R)-N-[(2S,4R)-2-ethyl-2-methyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.93 4.61 -35.04 2 3 1 26 227.372 3 ↓
Hi High (pH 8-9.5) 1.93 3.01 -39.2 2 3 1 29 227.372 3 ↓
Hi High (pH 8-9.5) 1.93 1.92 -1.59 1 3 0 24 226.364 3 ↓

Analogs

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Popular Name: (3R)-N-[(2R,4S)-2-ethyl-2-methyl-tetrahydropyran-4-yl]-1-methyl-pyrrolidin-3-amine (3R)-N-[(2R,4S)-2-ethyl-2-methyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.93 4.42 -35.43 2 3 1 26 227.372 3 ↓
Hi High (pH 8-9.5) 1.93 3.02 -39.31 2 3 1 29 227.372 3 ↓
Hi High (pH 8-9.5) 1.93 2.01 -1.97 1 3 0 24 226.364 3 ↓

Analogs

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Popular Name: (3R)-N-[(2S,4S)-2-ethyl-2-methyl-tetrahydropyran-4-yl]-1-methyl-pyrrolidin-3-amine (3R)-N-[(2S,4S)-2-ethyl-2-methyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.93 4.49 -35.39 2 3 1 26 227.372 3 ↓
Hi High (pH 8-9.5) 1.93 3.08 -39.16 2 3 1 29 227.372 3 ↓
Hi High (pH 8-9.5) 1.93 2.07 -1.98 1 3 0 24 226.364 3 ↓

Analogs

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Popular Name: (3R)-N-[(4R)-2,2-dimethyltetrahydropyran-4-yl]-1-methyl-pyrrolidin-3-amine (3R)-N-[(4R)-2,2-dimethyltetrahy…

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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) 1.43 3.93 -35.3 2 3 1 26 213.345 2 ↓
Hi High (pH 8-9.5) 1.43 2.33 -38.98 2 3 1 29 213.345 2 ↓
Hi High (pH 8-9.5) 1.43 1.24 -1.79 1 3 0 24 212.337 2 ↓

Analogs

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Popular Name: (3R)-N-[(4S)-2,2-dimethyltetrahydropyran-4-yl]-1-methyl-pyrrolidin-3-amine (3R)-N-[(4S)-2,2-dimethyltetrahy…

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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) 1.43 3.77 -35.68 2 3 1 26 213.345 2 ↓
Hi High (pH 8-9.5) 1.43 2.36 -39.05 2 3 1 29 213.345 2 ↓
Hi High (pH 8-9.5) 1.43 1.35 -2.17 1 3 0 24 212.337 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(4R)-2,2-dimethyltetrahydropyran-4-yl]-1-methyl-pyrrolidin-3-amine (3S)-N-[(4R)-2,2-dimethyltetrahy…

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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) 1.43 3.83 -34.67 2 3 1 26 213.345 2 ↓
Hi High (pH 8-9.5) 1.43 2.34 -38.82 2 3 1 29 213.345 2 ↓
Hi High (pH 8-9.5) 1.43 1.39 -2.16 1 3 0 24 212.337 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(4S)-2,2-dimethyltetrahydropyran-4-yl]-1-methyl-pyrrolidin-3-amine (3S)-N-[(4S)-2,2-dimethyltetrahy…

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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) 1.43 3.93 -34.78 2 3 1 26 213.345 2 ↓
Hi High (pH 8-9.5) 1.43 2.33 -38.82 2 3 1 29 213.345 2 ↓
Hi High (pH 8-9.5) 1.43 1.21 -2.68 1 3 0 24 212.337 2 ↓

Analogs

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Popular Name: (3R)-N-[(2R,4R)-2-ethyltetrahydropyran-4-yl]-1-methyl-pyrrolidin-3-amine (3R)-N-[(2R,4R)-2-ethyltetrahydr…

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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 4.36 -34.89 2 3 1 26 213.345 3 ↓
Hi High (pH 8-9.5) 1.49 2.77 -38.94 2 3 1 29 213.345 3 ↓
Hi High (pH 8-9.5) 1.49 1.66 -1.66 1 3 0 24 212.337 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(2S,4R)-2-ethyltetrahydropyran-4-yl]-1-methyl-pyrrolidin-3-amine (3R)-N-[(2S,4R)-2-ethyltetrahydr…

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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 4.66 -34.5 2 3 1 26 213.345 3 ↓
Hi High (pH 8-9.5) 1.49 3.01 -37.2 2 3 1 29 213.345 3 ↓
Hi High (pH 8-9.5) 1.49 1.88 -1.57 1 3 0 24 212.337 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(2R,4S)-2-ethyltetrahydropyran-4-yl]-1-methyl-pyrrolidin-3-amine (3R)-N-[(2R,4S)-2-ethyltetrahydr…

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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 4.74 -34.93 2 3 1 26 213.345 3 ↓
Hi High (pH 8-9.5) 1.49 2.9 -36.96 2 3 1 29 213.345 3 ↓
Hi High (pH 8-9.5) 1.49 2.24 -1.76 1 3 0 24 212.337 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(2S,4S)-2-ethyltetrahydropyran-4-yl]-1-methyl-pyrrolidin-3-amine (3R)-N-[(2S,4S)-2-ethyltetrahydr…

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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 4.29 -34.33 2 3 1 26 213.345 3 ↓
Hi High (pH 8-9.5) 1.49 2.72 -37.88 2 3 1 29 213.345 3 ↓
Hi High (pH 8-9.5) 1.49 1.77 -1.92 1 3 0 24 212.337 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-methyl-N-[(2R,4R)-2-methyltetrahydropyran-4-yl]pyrrolidin-3-amine (3R)-1-methyl-N-[(2R,4R)-2-methy…

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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) 0.98 3.54 -35.04 2 3 1 26 199.318 2 ↓
Hi High (pH 8-9.5) 0.98 1.94 -38.72 2 3 1 29 199.318 2 ↓
Hi High (pH 8-9.5) 0.98 0.84 -1.84 1 3 0 24 198.31 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-methyl-N-[(2S,4R)-2-methyltetrahydropyran-4-yl]pyrrolidin-3-amine (3R)-1-methyl-N-[(2S,4R)-2-methy…

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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) 0.98 3.27 -35.07 2 3 1 26 199.318 2 ↓
Hi High (pH 8-9.5) 0.98 1.68 -38.48 2 3 1 29 199.318 2 ↓
Hi High (pH 8-9.5) 0.98 0.58 -1.72 1 3 0 24 198.31 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-methyl-N-[(2R,4S)-2-methyltetrahydropyran-4-yl]pyrrolidin-3-amine (3R)-1-methyl-N-[(2R,4S)-2-methy…

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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) 0.98 3.12 -35.43 2 3 1 26 199.318 2 ↓
Hi High (pH 8-9.5) 0.98 1.71 -38.49 2 3 1 29 199.318 2 ↓
Hi High (pH 8-9.5) 0.98 0.71 -2.14 1 3 0 24 198.31 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-methyl-N-[(2S,4S)-2-methyltetrahydropyran-4-yl]pyrrolidin-3-amine (3R)-1-methyl-N-[(2S,4S)-2-methy…

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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) 0.98 3.46 -34.51 2 3 1 26 199.318 2 ↓
Hi High (pH 8-9.5) 0.98 1.9 -37.74 2 3 1 29 199.318 2 ↓
Hi High (pH 8-9.5) 0.98 0.95 -2.1 1 3 0 24 198.31 2 ↓

Analogs

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Popular Name: (3R)-N-[(2S,4R)-2-isopropyltetrahydropyran-4-yl]-1-methyl-pyrrolidin-3-amine (3R)-N-[(2S,4R)-2-isopropyltetra…

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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) 1.73 3.31 -39.09 2 3 1 29 227.372 3 ↓
Hi High (pH 8-9.5) 1.73 2.19 -1.57 1 3 0 24 226.364 3 ↓
Mid Mid (pH 6-8) 1.73 4.89 -34.91 2 3 1 26 227.372 3 ↓

Analogs

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Popular Name: (3R)-N-[(2R,4R)-2-isopropyltetrahydropyran-4-yl]-1-methyl-pyrrolidin-3-amine (3R)-N-[(2R,4R)-2-isopropyltetra…

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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) 1.73 3.6 -37.5 2 3 1 29 227.372 3 ↓
Hi High (pH 8-9.5) 1.73 2.49 -1.35 1 3 0 24 226.364 3 ↓
Mid Mid (pH 6-8) 1.73 5.28 -34.16 2 3 1 26 227.372 3 ↓

Analogs

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Popular Name: (3R)-N-[(2S,4S)-2-isopropyltetrahydropyran-4-yl]-1-methyl-pyrrolidin-3-amine (3R)-N-[(2S,4S)-2-isopropyltetra…

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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) 1.73 3.43 -37.16 2 3 1 29 227.372 3 ↓
Hi High (pH 8-9.5) 1.73 2.75 -1.66 1 3 0 24 226.364 3 ↓
Mid Mid (pH 6-8) 1.73 5.25 -35.09 2 3 1 26 227.372 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(2R,4S)-2-isopropyltetrahydropyran-4-yl]-1-methyl-pyrrolidin-3-amine (3R)-N-[(2R,4S)-2-isopropyltetra…

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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) 1.73 3.32 -38.23 2 3 1 29 227.372 3 ↓
Hi High (pH 8-9.5) 1.73 2.37 -1.69 1 3 0 24 226.364 3 ↓
Mid Mid (pH 6-8) 1.73 4.88 -34.13 2 3 1 26 227.372 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-methyl-N-[(2R,4R)-2-propyltetrahydropyran-4-yl]pyrrolidin-3-amine (3R)-N-methyl-N-[(2R,4R)-2-propy…

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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) 2.05 3.41 -39.25 2 3 1 29 227.372 4 ↓
Hi High (pH 8-9.5) 2.05 2.03 -1.58 1 3 0 24 226.364 4 ↓
Lo Low (pH 4.5-6) 2.05 5.6 -111.88 3 3 2 30 228.38 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-methyl-N-[(2S,4R)-2-propyltetrahydropyran-4-yl]pyrrolidin-3-amine (3R)-N-methyl-N-[(2S,4R)-2-propy…

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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) 2.05 3.16 -38.49 2 3 1 29 227.372 4 ↓
Hi High (pH 8-9.5) 2.05 1.6 -1.8 1 3 0 24 226.364 4 ↓
Lo Low (pH 4.5-6) 2.05 5.34 -111.84 3 3 2 30 228.38 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-methyl-N-[(2R,4S)-2-propyltetrahydropyran-4-yl]pyrrolidin-3-amine (3R)-N-methyl-N-[(2R,4S)-2-propy…

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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) 2.05 3.2 -39.55 2 3 1 29 227.372 4 ↓
Hi High (pH 8-9.5) 2.05 1.73 -1.43 1 3 0 24 226.364 4 ↓
Lo Low (pH 4.5-6) 2.05 3.88 -34.74 2 3 1 26 227.372 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-methyl-N-[(2S,4S)-2-propyltetrahydropyran-4-yl]pyrrolidin-3-amine (3R)-N-methyl-N-[(2S,4S)-2-propy…

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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) 2.05 3.46 -38.46 2 3 1 29 227.372 4 ↓
Hi High (pH 8-9.5) 2.05 1.91 -1.96 1 3 0 24 226.364 4 ↓
Lo Low (pH 4.5-6) 2.05 4.17 -34.72 2 3 1 26 227.372 4 ↓

Analogs

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Popular Name: (3R)-N-[(2R,4R)-2-ethyltetrahydropyran-4-yl]-N-methyl-pyrrolidin-3-amine (3R)-N-[(2R,4R)-2-ethyltetrahydr…

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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 2.66 -38.37 2 3 1 29 213.345 3 ↓
Hi High (pH 8-9.5) 1.49 1.11 -2.05 1 3 0 24 212.337 3 ↓
Lo Low (pH 4.5-6) 1.49 4.85 -110.95 3 3 2 30 214.353 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(2S,4R)-2-ethyltetrahydropyran-4-yl]-N-methyl-pyrrolidin-3-amine (3R)-N-[(2S,4R)-2-ethyltetrahydr…

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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 2.39 -39.35 2 3 1 29 213.345 3 ↓
Hi High (pH 8-9.5) 1.49 1 -1.5 1 3 0 24 212.337 3 ↓
Lo Low (pH 4.5-6) 1.49 4.57 -112.19 3 3 2 30 214.353 3 ↓

Analogs

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Popular Name: (3R)-N-[(2R,4S)-2-ethyltetrahydropyran-4-yl]-N-methyl-pyrrolidin-3-amine (3R)-N-[(2R,4S)-2-ethyltetrahydr…

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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 2.43 -38.78 2 3 1 29 213.345 3 ↓
Hi High (pH 8-9.5) 1.49 0.88 -1.9 1 3 0 24 212.337 3 ↓
Lo Low (pH 4.5-6) 1.49 4.57 -111.65 3 3 2 30 214.353 3 ↓

Analogs

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Popular Name: (3R)-N-[(2S,4S)-2-ethyltetrahydropyran-4-yl]-N-methyl-pyrrolidin-3-amine (3R)-N-[(2S,4S)-2-ethyltetrahydr…

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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 2.68 -38.49 2 3 1 29 213.345 3 ↓
Hi High (pH 8-9.5) 1.49 1.13 -1.99 1 3 0 24 212.337 3 ↓
Lo Low (pH 4.5-6) 1.49 4.84 -111.27 3 3 2 30 214.353 3 ↓

Analogs

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Popular Name: (3R)-N-[(2S,4R)-2-isopropyltetrahydropyran-4-yl]-N-methyl-pyrrolidin-3-amine (3R)-N-[(2S,4R)-2-isopropyltetra…

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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) 1.73 3.17 -39.34 2 3 1 29 227.372 3 ↓
Hi High (pH 8-9.5) 1.73 1.79 -1.53 1 3 0 24 226.364 3 ↓
Mid Mid (pH 6-8) 1.73 3.91 -34.78 2 3 1 26 227.372 3 ↓

Analogs

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Popular Name: (3R)-N-[(2R,4R)-2-isopropyltetrahydropyran-4-yl]-N-methyl-pyrrolidin-3-amine (3R)-N-[(2R,4R)-2-isopropyltetra…

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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) 1.73 3.8 -39.98 2 3 1 29 227.372 3 ↓
Hi High (pH 8-9.5) 1.73 2.48 -1.55 1 3 0 24 226.364 3 ↓
Mid Mid (pH 6-8) 1.73 4.05 -34.33 2 3 1 26 227.372 3 ↓

Analogs

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Popular Name: (3R)-N-[(2S,4S)-2-isopropyltetrahydropyran-4-yl]-N-methyl-pyrrolidin-3-amine (3R)-N-[(2S,4S)-2-isopropyltetra…

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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) 1.73 2.89 -39.11 2 3 1 29 227.372 3 ↓
Hi High (pH 8-9.5) 1.73 1.37 -1.78 1 3 0 24 226.364 3 ↓
Mid Mid (pH 6-8) 1.73 3.55 -34.94 2 3 1 26 227.372 3 ↓

Analogs

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Popular Name: (3R)-N-[(2R,4S)-2-isopropyltetrahydropyran-4-yl]-N-methyl-pyrrolidin-3-amine (3R)-N-[(2R,4S)-2-isopropyltetra…

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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) 1.73 3.27 -38.26 2 3 1 29 227.372 3 ↓
Hi High (pH 8-9.5) 1.73 1.73 -1.75 1 3 0 24 226.364 3 ↓
Mid Mid (pH 6-8) 1.73 3.98 -34.85 2 3 1 26 227.372 3 ↓

Analogs

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Popular Name: (3R)-N-methyl-N-[(2R,4R)-2-methyltetrahydropyran-4-yl]pyrrolidin-3-amine (3R)-N-methyl-N-[(2R,4R)-2-methy…

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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) 0.98 1.84 -38.53 2 3 1 29 199.318 2 ↓
Hi High (pH 8-9.5) 0.98 0.28 -2.16 1 3 0 24 198.31 2 ↓
Lo Low (pH 4.5-6) 0.98 4 -110.6 3 3 2 30 200.326 2 ↓

Analogs

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Popular Name: (3R)-N-methyl-N-[(2S,4R)-2-methyltetrahydropyran-4-yl]pyrrolidin-3-amine (3R)-N-methyl-N-[(2S,4R)-2-methy…

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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) 0.98 1.56 -39.45 2 3 1 29 199.318 2 ↓
Hi High (pH 8-9.5) 0.98 0.17 -1.74 1 3 0 24 198.31 2 ↓
Lo Low (pH 4.5-6) 0.98 3.74 -110.86 3 3 2 30 200.326 2 ↓

Analogs

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Popular Name: (3R)-N-methyl-N-[(2R,4S)-2-methyltetrahydropyran-4-yl]pyrrolidin-3-amine (3R)-N-methyl-N-[(2R,4S)-2-methy…

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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) 0.98 1.6 -38.74 2 3 1 29 199.318 2 ↓
Hi High (pH 8-9.5) 0.98 0.05 -2.09 1 3 0 24 198.31 2 ↓
Lo Low (pH 4.5-6) 0.98 2.28 -34.28 2 3 1 26 199.318 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-methyl-N-[(2S,4S)-2-methyltetrahydropyran-4-yl]pyrrolidin-3-amine (3R)-N-methyl-N-[(2S,4S)-2-methy…

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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) 0.98 1.88 -39.21 2 3 1 29 199.318 2 ↓
Hi High (pH 8-9.5) 0.98 0.4 -1.77 1 3 0 24 198.31 2 ↓
Lo Low (pH 4.5-6) 0.98 2.55 -34.37 2 3 1 26 199.318 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(2R,4R)-2-ethyl-2-methyl-tetrahydropyran-4-yl]-N-methyl-pyrrolidin-3-amine (3R)-N-[(2R,4R)-2-ethyl-2-methyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.93 2.87 -39.46 2 3 1 29 227.372 3 ↓
Hi High (pH 8-9.5) 1.93 1.49 -1.6 1 3 0 24 226.364 3 ↓
Mid Mid (pH 6-8) 1.93 3.6 -34.69 2 3 1 26 227.372 3 ↓

Analogs

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Popular Name: (3R)-N-[(2S,4R)-2-ethyl-2-methyl-tetrahydropyran-4-yl]-N-methyl-pyrrolidin-3-amine (3R)-N-[(2S,4R)-2-ethyl-2-methyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.93 2.88 -39.48 2 3 1 29 227.372 3 ↓
Hi High (pH 8-9.5) 1.93 1.51 -1.55 1 3 0 24 226.364 3 ↓
Mid Mid (pH 6-8) 1.93 3.63 -34.74 2 3 1 26 227.372 3 ↓

Analogs

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Popular Name: (3R)-N-[(2R,4S)-2-ethyl-2-methyl-tetrahydropyran-4-yl]-N-methyl-pyrrolidin-3-amine (3R)-N-[(2R,4S)-2-ethyl-2-methyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.93 2.91 -39.64 2 3 1 29 227.372 3 ↓
Hi High (pH 8-9.5) 1.93 1.44 -1.56 1 3 0 24 226.364 3 ↓
Mid Mid (pH 6-8) 1.93 3.59 -34.82 2 3 1 26 227.372 3 ↓

Analogs

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Popular Name: (3R)-N-[(2S,4S)-2-ethyl-2-methyl-tetrahydropyran-4-yl]-N-methyl-pyrrolidin-3-amine (3R)-N-[(2S,4S)-2-ethyl-2-methyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.93 2.97 -39.57 2 3 1 29 227.372 3 ↓
Hi High (pH 8-9.5) 1.93 1.5 -1.58 1 3 0 24 226.364 3 ↓
Mid Mid (pH 6-8) 1.93 3.65 -34.68 2 3 1 26 227.372 3 ↓

Analogs

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Popular Name: (3R)-N-[(4R)-2,2-dimethyltetrahydropyran-4-yl]-N-methyl-pyrrolidin-3-amine (3R)-N-[(4R)-2,2-dimethyltetrahy…

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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) 1.43 2.21 -39.69 2 3 1 29 213.345 2 ↓
Hi High (pH 8-9.5) 1.43 0.83 -1.78 1 3 0 24 212.337 2 ↓
Mid Mid (pH 6-8) 1.43 2.94 -34.65 2 3 1 26 213.345 2 ↓

Analogs

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Popular Name: (3R)-N-[(4S)-2,2-dimethyltetrahydropyran-4-yl]-N-methyl-pyrrolidin-3-amine (3R)-N-[(4S)-2,2-dimethyltetrahy…

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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) 1.43 2.26 -39.74 2 3 1 29 213.345 2 ↓
Hi High (pH 8-9.5) 1.43 0.79 -1.75 1 3 0 24 212.337 2 ↓
Mid Mid (pH 6-8) 1.43 2.94 -34.65 2 3 1 26 213.345 2 ↓

Analogs

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Popular Name: (3R)-N-ethyl-N-[(2R,4R)-2-ethyltetrahydropyran-4-yl]pyrrolidin-3-amine (3R)-N-ethyl-N-[(2R,4R)-2-ethylt…

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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) 1.86 3.28 -38.47 2 3 1 29 227.372 4 ↓
Hi High (pH 8-9.5) 1.86 1.85 -1.55 1 3 0 24 226.364 4 ↓
Mid Mid (pH 6-8) 1.86 5.23 -109.98 3 3 2 30 228.38 4 ↓

Analogs

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Popular Name: (3R)-N-ethyl-N-[(2S,4R)-2-ethyltetrahydropyran-4-yl]pyrrolidin-3-amine (3R)-N-ethyl-N-[(2S,4R)-2-ethylt…

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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) 1.86 3.11 -40.23 2 3 1 29 227.372 4 ↓
Hi High (pH 8-9.5) 1.86 1.67 -1.73 1 3 0 24 226.364 4 ↓
Mid Mid (pH 6-8) 1.86 4.96 -109.55 3 3 2 30 228.38 4 ↓

Analogs

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Popular Name: (3R)-N-ethyl-N-[(2R,4S)-2-ethyltetrahydropyran-4-yl]pyrrolidin-3-amine (3R)-N-ethyl-N-[(2R,4S)-2-ethylt…

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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) 1.86 3.33 -38.15 2 3 1 29 227.372 4 ↓
Hi High (pH 8-9.5) 1.86 1.89 -1.69 1 3 0 24 226.364 4 ↓
Mid Mid (pH 6-8) 1.86 3.5 -33.24 2 3 1 26 227.372 4 ↓

Analogs

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Popular Name: (3R)-N-ethyl-N-[(2S,4S)-2-ethyltetrahydropyran-4-yl]pyrrolidin-3-amine (3R)-N-ethyl-N-[(2S,4S)-2-ethylt…

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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) 1.86 3.59 -38 2 3 1 29 227.372 4 ↓
Hi High (pH 8-9.5) 1.86 2.16 -1.82 1 3 0 24 226.364 4 ↓
Mid Mid (pH 6-8) 1.86 5.22 -110.12 3 3 2 30 228.38 4 ↓

Parameters Provided:

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Structural Results Found: (before additional filtering)

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