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Analogs

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Popular Name: 2-[(2R)-1-tetrahydropyran-4-ylpyrrolidin-2-yl]acetic 2-[(2R)-1-tetrahydropyran-4-ylpy…

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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) 0.62 5.23 -38.82 1 4 0 54 213.277 3 ↓

Analogs

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Popular Name: 2-[(2S)-1-tetrahydropyran-4-ylpyrrolidin-2-yl]acetic 2-[(2S)-1-tetrahydropyran-4-ylpy…

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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) 0.62 5.23 -39.18 1 4 0 54 213.277 3 ↓

Analogs

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Popular Name: (3R)-1-tetrahydropyran-4-ylpyrrolidine-3-carboxylic (3R)-1-tetrahydropyran-4-ylpyrro…

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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) 0.46 5.14 -45.7 1 4 0 54 199.25 2 ↓
Hi High (pH 8-9.5) 0.46 2.72 -46.64 0 4 -1 53 198.242 2 ↓

Analogs

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Popular Name: (3S)-1-tetrahydropyran-4-ylpyrrolidine-3-carboxylic (3S)-1-tetrahydropyran-4-ylpyrro…

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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) 0.46 5.08 -46.27 1 4 0 54 199.25 2 ↓
Hi High (pH 8-9.5) 0.46 2.73 -45.12 0 4 -1 53 198.242 2 ↓

Analogs

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Popular Name: (3S)-3-methyl-1-tetrahydropyran-4-yl-pyrrolidine-3-carboxylic (3S)-3-methyl-1-tetrahydropyran-…

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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) 0.71 5.64 -46.95 1 4 0 54 213.277 2 ↓

Analogs

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Popular Name: (3R)-3-methyl-1-tetrahydropyran-4-yl-pyrrolidine-3-carboxylic (3R)-3-methyl-1-tetrahydropyran-…

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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) 0.71 5.62 -46.53 1 4 0 54 213.277 2 ↓

Analogs

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Popular Name: (3S)-3-ethyl-1-tetrahydropyran-4-yl-pyrrolidine-3-carboxylic (3S)-3-ethyl-1-tetrahydropyran-4…

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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) 1.04 6.14 -43.05 1 4 0 54 227.304 3 ↓

Analogs

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Popular Name: (3R)-3-ethyl-1-tetrahydropyran-4-yl-pyrrolidine-3-carboxylic (3R)-3-ethyl-1-tetrahydropyran-4…

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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) 1.04 6.09 -45.68 1 4 0 54 227.304 3 ↓

Analogs

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Popular Name: (3R,4S)-4-methyl-1-tetrahydropyran-4-yl-pyrrolidine-3-carboxylic (3R,4S)-4-methyl-1-tetrahydropyr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.94 5.64 -47 1 4 0 54 213.277 2 ↓

Analogs

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Popular Name: (3R,4R)-4-methyl-1-tetrahydropyran-4-yl-pyrrolidine-3-carboxylic (3R,4R)-4-methyl-1-tetrahydropyr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.94 5.72 -45.78 1 4 0 54 213.277 2 ↓

Analogs

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Popular Name: [(2R)-1-tetrahydropyran-4-ylpyrrolidin-2-yl]methanol [(2R)-1-tetrahydropyran-4-ylpyrr…

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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) 0.47 1.86 -29.78 2 3 1 34 186.275 2 ↓

Analogs

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Popular Name: [(2S)-1-tetrahydropyran-4-ylpyrrolidin-2-yl]methanol [(2S)-1-tetrahydropyran-4-ylpyrr…

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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) 0.47 1.91 -30.39 2 3 1 34 186.275 2 ↓

Analogs

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Popular Name: 3-[(2R)-1-tetrahydropyran-4-ylpyrrolidin-2-yl]propan-1-ol 3-[(2R)-1-tetrahydropyran-4-ylpy…

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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) 1.02 3.04 -34.49 2 3 1 34 214.329 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2S)-1-tetrahydropyran-4-ylpyrrolidin-2-yl]propan-1-ol 3-[(2S)-1-tetrahydropyran-4-ylpy…

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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) 1.02 2.99 -32.79 2 3 1 34 214.329 4 ↓

Analogs

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Popular Name: (3R)-1-tetrahydropyran-4-ylpyrrolidin-3-ol (3R)-1-tetrahydropyran-4-ylpyrro…

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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) 0.20 1.3 -33.83 2 3 1 34 172.248 1 ↓

Analogs

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Popular Name: (3S)-1-tetrahydropyran-4-ylpyrrolidin-3-ol (3S)-1-tetrahydropyran-4-ylpyrro…

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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) 0.20 1.3 -33.54 2 3 1 34 172.248 1 ↓

Analogs

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Popular Name: [(2R)-1-tetrahydropyran-4-ylpyrrolidin-2-yl]methanamine [(2R)-1-tetrahydropyran-4-ylpyrr…

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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 0.96 -40.45 3 3 1 40 185.291 2 ↓
Mid Mid (pH 6-8) -0.09 1.93 -30.99 3 3 1 40 185.291 2 ↓
Mid Mid (pH 6-8) -0.09 2.31 -112.37 4 3 2 41 186.299 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2S)-1-tetrahydropyran-4-ylpyrrolidin-2-yl]propan-1-amine 3-[(2S)-1-tetrahydropyran-4-ylpy…

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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) 0.45 3.75 -96.34 4 3 2 41 214.353 4 ↓
Hi High (pH 8-9.5) 0.45 1.49 -44.24 3 3 1 40 213.345 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2R)-1-tetrahydropyran-4-ylpyrrolidin-2-yl]propan-1-amine 3-[(2R)-1-tetrahydropyran-4-ylpy…

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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) 0.45 3.46 -96.8 4 3 2 41 214.353 4 ↓
Hi High (pH 8-9.5) 0.45 1.36 -45.9 3 3 1 40 213.345 4 ↓

Analogs

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Popular Name: (3R)-1-[4-(aminomethyl)tetrahydropyran-4-yl]-N,N-dimethyl-pyrrolidin-3-amine (3R)-1-[4-(aminomethyl)tetrahydr…

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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) -0.26 1.32 -92.85 4 4 2 45 229.368 3 ↓
Mid Mid (pH 6-8) -0.26 -1.36 -44.02 3 4 1 43 228.36 3 ↓

Analogs

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Popular Name: (3S)-1-[4-(aminomethyl)tetrahydropyran-4-yl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[4-(aminomethyl)tetrahydr…

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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) -0.26 1.24 -99.95 4 4 2 45 229.368 3 ↓
Mid Mid (pH 6-8) -0.26 -1.15 -44.38 3 4 1 43 228.36 3 ↓

Analogs

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Popular Name: (3R)-1-[4-(aminomethyl)tetrahydropyran-4-yl]-N,N-diethyl-pyrrolidin-3-amine (3R)-1-[4-(aminomethyl)tetrahydr…

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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) 0.49 2.26 -102.07 4 4 2 45 257.422 5 ↓
Mid Mid (pH 6-8) 0.49 0.16 -44.15 3 4 1 43 256.414 5 ↓

Analogs

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Popular Name: (3S)-1-[4-(aminomethyl)tetrahydropyran-4-yl]-N,N-diethyl-pyrrolidin-3-amine (3S)-1-[4-(aminomethyl)tetrahydr…

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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) 0.49 2.42 -99.72 4 4 2 45 257.422 5 ↓
Mid Mid (pH 6-8) 0.49 0.3 -44.43 3 4 1 43 256.414 5 ↓

Analogs

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Popular Name: [(2R,4S)-2-ethyl-4-pyrrolidin-1-yl-tetrahydropyran-4-yl]methanamine [(2R,4S)-2-ethyl-4-pyrrolidin-1-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.86 1.28 -42.13 3 3 1 40 213.345 3 ↓
Mid Mid (pH 6-8) 0.86 3.15 -30.88 3 3 1 40 213.345 3 ↓
Mid Mid (pH 6-8) 0.86 3.51 -120.55 4 3 2 41 214.353 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,4S)-2-ethyl-4-pyrrolidin-1-yl-tetrahydropyran-4-yl]methanamine [(2S,4S)-2-ethyl-4-pyrrolidin-1-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.86 1.9 -43.21 3 3 1 40 213.345 3 ↓
Mid Mid (pH 6-8) 0.86 3.83 -120.44 4 3 2 41 214.353 3 ↓
Mid Mid (pH 6-8) 0.86 3.44 -30.23 3 3 1 40 213.345 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,4R)-2-ethyl-4-pyrrolidin-1-yl-tetrahydropyran-4-yl]methanamine [(2R,4R)-2-ethyl-4-pyrrolidin-1-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.86 1.88 -43.63 3 3 1 40 213.345 3 ↓
Mid Mid (pH 6-8) 0.86 3.83 -121.02 4 3 2 41 214.353 3 ↓
Mid Mid (pH 6-8) 0.86 3.46 -30.1 3 3 1 40 213.345 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,4R)-2-ethyl-4-pyrrolidin-1-yl-tetrahydropyran-4-yl]methanamine [(2S,4R)-2-ethyl-4-pyrrolidin-1-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.86 1.27 -42.46 3 3 1 40 213.345 3 ↓
Mid Mid (pH 6-8) 0.86 3.16 -30.9 3 3 1 40 213.345 3 ↓
Mid Mid (pH 6-8) 0.86 3.51 -120.97 4 3 2 41 214.353 3 ↓

Analogs

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Popular Name: [(2R,4S)-2-propyl-4-pyrrolidin-1-yl-tetrahydropyran-4-yl]methanamine [(2R,4S)-2-propyl-4-pyrrolidin-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.42 2.05 -42.08 3 3 1 40 227.372 4 ↓
Mid Mid (pH 6-8) 1.42 4.28 -120.91 4 3 2 41 228.38 4 ↓
Mid Mid (pH 6-8) 1.42 5.03 -28.36 3 3 1 40 227.372 4 ↓

Analogs

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Popular Name: [(2S,4S)-2-propyl-4-pyrrolidin-1-yl-tetrahydropyran-4-yl]methanamine [(2S,4S)-2-propyl-4-pyrrolidin-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.42 2.67 -43.33 3 3 1 40 227.372 4 ↓
Mid Mid (pH 6-8) 1.42 4.13 -28.44 3 3 1 40 227.372 4 ↓
Mid Mid (pH 6-8) 1.42 4.6 -120.94 4 3 2 41 228.38 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,4R)-2-propyl-4-pyrrolidin-1-yl-tetrahydropyran-4-yl]methanamine [(2R,4R)-2-propyl-4-pyrrolidin-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.42 2.65 -43.83 3 3 1 40 227.372 4 ↓
Mid Mid (pH 6-8) 1.42 4.17 -28.37 3 3 1 40 227.372 4 ↓
Mid Mid (pH 6-8) 1.42 4.6 -121.63 4 3 2 41 228.38 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,4R)-2-propyl-4-pyrrolidin-1-yl-tetrahydropyran-4-yl]methanamine [(2S,4R)-2-propyl-4-pyrrolidin-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.42 2.05 -42.53 3 3 1 40 227.372 4 ↓
Mid Mid (pH 6-8) 1.42 5.03 -28.33 3 3 1 40 227.372 4 ↓
Mid Mid (pH 6-8) 1.42 4.29 -121.55 4 3 2 41 228.38 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,4S)-2-methyl-4-pyrrolidin-1-yl-tetrahydropyran-4-yl]methanamine [(2R,4S)-2-methyl-4-pyrrolidin-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.36 0.46 -42.21 3 3 1 40 199.318 2 ↓
Mid Mid (pH 6-8) 0.36 2.68 -119.93 4 3 2 41 200.326 2 ↓
Mid Mid (pH 6-8) 0.36 2.33 -30.76 3 3 1 40 199.318 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,4S)-2-methyl-4-pyrrolidin-1-yl-tetrahydropyran-4-yl]methanamine [(2S,4S)-2-methyl-4-pyrrolidin-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.36 1.07 -43.28 3 3 1 40 199.318 2 ↓
Mid Mid (pH 6-8) 0.36 2.61 -30.06 3 3 1 40 199.318 2 ↓
Mid Mid (pH 6-8) 0.36 3 -119.76 4 3 2 41 200.326 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,4R)-2-methyl-4-pyrrolidin-1-yl-tetrahydropyran-4-yl]methanamine [(2R,4R)-2-methyl-4-pyrrolidin-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.36 1.05 -43.5 3 3 1 40 199.318 2 ↓
Mid Mid (pH 6-8) 0.36 2.64 -29.96 3 3 1 40 199.318 2 ↓
Mid Mid (pH 6-8) 0.36 3 -119.89 4 3 2 41 200.326 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,4R)-2-methyl-4-pyrrolidin-1-yl-tetrahydropyran-4-yl]methanamine [(2S,4R)-2-methyl-4-pyrrolidin-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.36 0.45 -42.43 3 3 1 40 199.318 2 ↓
Mid Mid (pH 6-8) 0.36 2.32 -30.76 3 3 1 40 199.318 2 ↓
Mid Mid (pH 6-8) 0.36 2.68 -119.99 4 3 2 41 200.326 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.31 4.83 -115.14 4 3 2 41 228.38 3 ↓
Hi High (pH 8-9.5) 1.31 3.81 -1.74 2 3 0 38 226.364 3 ↓
Mid Mid (pH 6-8) 1.31 4 -46.71 3 3 1 40 227.372 3 ↓

Analogs

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Popular Name: [(2S,4S)-2-ethyl-2-methyl-4-pyrrolidin-1-yl-tetrahydropyran-4-yl]methanamine [(2S,4S)-2-ethyl-2-methyl-4-pyrr…

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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) 1.31 3.99 -121.25 4 3 2 41 228.38 3 ↓
Hi High (pH 8-9.5) 1.31 1.71 -1.47 2 3 0 38 226.364 3 ↓
Mid Mid (pH 6-8) 1.31 2.06 -43.23 3 3 1 40 227.372 3 ↓

Analogs

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Popular Name: [(2R,4R)-2-ethyl-2-methyl-4-pyrrolidin-1-yl-tetrahydropyran-4-yl]methanamine [(2R,4R)-2-ethyl-2-methyl-4-pyrr…

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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) 1.31 4.03 -116.45 4 3 2 41 228.38 3 ↓
Hi High (pH 8-9.5) 1.31 1.64 -2.53 2 3 0 38 226.364 3 ↓
Mid Mid (pH 6-8) 1.31 1.76 -44.8 3 3 1 40 227.372 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.31 4.53 -117.51 4 3 2 41 228.38 3 ↓
Hi High (pH 8-9.5) 1.31 4.44 -1.42 2 3 0 38 226.364 3 ↓
Mid Mid (pH 6-8) 1.31 4.13 -46.79 3 3 1 40 227.372 3 ↓

Analogs

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Popular Name: [(2S,4S)-2-isopropyl-4-pyrrolidin-1-yl-tetrahydropyran-4-yl]methanamine [(2S,4S)-2-isopropyl-4-pyrrolidi…

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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) 1.10 4.04 -121.51 4 3 2 41 228.38 3 ↓
Mid Mid (pH 6-8) 1.10 4.79 -28.3 3 3 1 40 227.372 3 ↓
Mid Mid (pH 6-8) 1.10 1.82 -42.36 3 3 1 40 227.372 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,4S)-2-isopropyl-4-pyrrolidin-1-yl-tetrahydropyran-4-yl]methanamine [(2R,4S)-2-isopropyl-4-pyrrolidi…

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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) 1.10 4.42 -121.35 4 3 2 41 228.38 3 ↓
Mid Mid (pH 6-8) 1.10 3.95 -28.54 3 3 1 40 227.372 3 ↓
Mid Mid (pH 6-8) 1.10 2.49 -42.93 3 3 1 40 227.372 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,4R)-2-isopropyl-4-pyrrolidin-1-yl-tetrahydropyran-4-yl]methanamine [(2S,4R)-2-isopropyl-4-pyrrolidi…

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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) 1.10 4.37 -122.11 4 3 2 41 228.38 3 ↓
Mid Mid (pH 6-8) 1.10 3.94 -28.52 3 3 1 40 227.372 3 ↓
Mid Mid (pH 6-8) 1.10 2.42 -43.95 3 3 1 40 227.372 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,4R)-2-isopropyl-4-pyrrolidin-1-yl-tetrahydropyran-4-yl]methanamine [(2R,4R)-2-isopropyl-4-pyrrolidi…

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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) 1.10 4.11 -122.38 4 3 2 41 228.38 3 ↓
Mid Mid (pH 6-8) 1.10 1.88 -42.72 3 3 1 40 227.372 3 ↓
Mid Mid (pH 6-8) 1.10 4.84 -28.32 3 3 1 40 227.372 3 ↓

Analogs

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Popular Name: [(4S)-2,2-dimethyl-4-pyrrolidin-1-yl-tetrahydropyran-4-yl]methanamine [(4S)-2,2-dimethyl-4-pyrrolidin-…

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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) 0.80 3.24 -121.08 4 3 2 41 214.353 2 ↓
Hi High (pH 8-9.5) 0.80 0.48 -2.25 2 3 0 38 212.337 2 ↓
Mid Mid (pH 6-8) 0.80 2.81 -28.13 3 3 1 40 213.345 2 ↓

Analogs

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Popular Name: [(4R)-2,2-dimethyl-4-pyrrolidin-1-yl-tetrahydropyran-4-yl]methanamine [(4R)-2,2-dimethyl-4-pyrrolidin-…

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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) 0.80 3.37 -115.58 4 3 2 41 214.353 2 ↓
Hi High (pH 8-9.5) 0.80 1.17 -2.84 2 3 0 38 212.337 2 ↓
Mid Mid (pH 6-8) 0.80 1.08 -44.79 3 3 1 40 213.345 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,4S)-2-ethyl-4-[(2S)-2-methylpyrrolidin-1-yl]tetrahydropyran-4-yl]methanamine [(2R,4S)-2-ethyl-4-[(2S)-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) 1.19 3.93 -119.16 4 3 2 41 228.38 3 ↓
Hi High (pH 8-9.5) 1.19 1.29 -1.78 2 3 0 38 226.364 3 ↓
Mid Mid (pH 6-8) 1.19 1.95 -42.64 3 3 1 40 227.372 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,4S)-2-ethyl-4-[(2S)-2-methylpyrrolidin-1-yl]tetrahydropyran-4-yl]methanamine [(2S,4S)-2-ethyl-4-[(2S)-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) 1.19 4.28 -119.26 4 3 2 41 228.38 3 ↓
Hi High (pH 8-9.5) 1.19 2.16 -1.3 2 3 0 38 226.364 3 ↓
Mid Mid (pH 6-8) 1.19 2.53 -43.56 3 3 1 40 227.372 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,4R)-2-ethyl-4-[(2S)-2-methylpyrrolidin-1-yl]tetrahydropyran-4-yl]methanamine [(2R,4R)-2-ethyl-4-[(2S)-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) 1.19 4.3 -119.87 4 3 2 41 228.38 3 ↓
Hi High (pH 8-9.5) 1.19 2.1 -1.28 2 3 0 38 226.364 3 ↓
Mid Mid (pH 6-8) 1.19 2.52 -43.96 3 3 1 40 227.372 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,4R)-2-ethyl-4-[(2S)-2-methylpyrrolidin-1-yl]tetrahydropyran-4-yl]methanamine [(2S,4R)-2-ethyl-4-[(2S)-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) 1.19 3.91 -119.49 4 3 2 41 228.38 3 ↓
Hi High (pH 8-9.5) 1.19 1.27 -1.77 2 3 0 38 226.364 3 ↓
Mid Mid (pH 6-8) 1.19 1.91 -43.07 3 3 1 40 227.372 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,4R)-2-methyl-4-[(2R)-2-methylpyrrolidin-1-yl]tetrahydropyran-4-yl]methanamine [(2R,4R)-2-methyl-4-[(2R)-2-meth…

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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) 0.69 3.15 -109.28 4 3 2 41 214.353 2 ↓
Hi High (pH 8-9.5) 0.69 0.81 -2.47 2 3 0 38 212.337 2 ↓
Mid Mid (pH 6-8) 0.69 1.14 -39.88 3 3 1 40 213.345 2 ↓

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