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Analogs

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Popular Name: (2R)-2-methyl-4-[[(3R)-3-methylpyrrolidin-3-yl]methyl]-1,4-oxazepane (2R)-2-methyl-4-[[(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) 1.35 3.85 -39.65 2 3 1 29 213.345 2 ↓
Mid Mid (pH 6-8) 1.35 5.22 -103.63 3 3 2 30 214.353 2 ↓

Analogs

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Popular Name: (2S)-2-methyl-4-[[(3R)-3-methylpyrrolidin-3-yl]methyl]-1,4-oxazepane (2S)-2-methyl-4-[[(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) 1.35 3.44 -40.91 2 3 1 29 213.345 2 ↓
Mid Mid (pH 6-8) 1.35 4.72 -102.74 3 3 2 30 214.353 2 ↓

Analogs

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Popular Name: (2R)-4-[[(3S)-3-ethylpyrrolidin-3-yl]methyl]-2-methyl-1,4-oxazepane (2R)-4-[[(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) 1.69 4.48 -34.73 2 3 1 29 227.372 3 ↓
Mid Mid (pH 6-8) 1.69 5.39 -101.51 3 3 2 30 228.38 3 ↓

Analogs

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Popular Name: (2R)-4-[[(3R)-3-ethylpyrrolidin-3-yl]methyl]-2-methyl-1,4-oxazepane (2R)-4-[[(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) 1.69 4.06 -40.29 2 3 1 29 227.372 3 ↓
Mid Mid (pH 6-8) 1.69 5.33 -101.01 3 3 2 30 228.38 3 ↓

Analogs

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Popular Name: (2R)-2-methyl-4-[[(3S)-3-propylpyrrolidin-3-yl]methyl]-1,4-oxazepane (2R)-2-methyl-4-[[(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) 2.25 5.25 -35.18 2 3 1 29 241.399 4 ↓
Mid Mid (pH 6-8) 2.25 6.16 -103.28 3 3 2 30 242.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-methyl-4-[[(3R)-3-propylpyrrolidin-3-yl]methyl]-1,4-oxazepane (2R)-2-methyl-4-[[(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) 2.25 3.31 -42.47 2 3 1 29 241.399 4 ↓
Mid Mid (pH 6-8) 2.25 6.13 -102.71 3 3 2 30 242.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(3S)-3-methylpyrrolidin-3-yl]methyl]-1,4-oxazepane 4-[[(3S)-3-methylpyrrolidin-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) 0.99 1.1 -40.01 2 3 1 29 199.318 2 ↓
Mid Mid (pH 6-8) 0.99 3.19 -102.18 3 3 2 30 200.326 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(3R)-3-methylpyrrolidin-3-yl]methyl]-1,4-oxazepane 4-[[(3R)-3-methylpyrrolidin-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) 0.99 2.92 -39.47 2 3 1 29 199.318 2 ↓
Mid Mid (pH 6-8) 0.99 4.24 -98.39 3 3 2 30 200.326 2 ↓

Analogs

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Popular Name: 4-[[(3S)-3-ethylpyrrolidin-3-yl]methyl]-1,4-oxazepane 4-[[(3S)-3-ethylpyrrolidin-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) 1.32 3.62 -38.63 2 3 1 29 213.345 3 ↓
Mid Mid (pH 6-8) 1.32 4.7 -100.4 3 3 2 30 214.353 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(3R)-3-ethylpyrrolidin-3-yl]methyl]-1,4-oxazepane 4-[[(3R)-3-ethylpyrrolidin-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) 1.32 1.64 -40.65 2 3 1 29 213.345 3 ↓
Mid Mid (pH 6-8) 1.32 3.7 -102.94 3 3 2 30 214.353 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(3S)-3-propylpyrrolidin-3-yl]methyl]-1,4-oxazepane 4-[[(3S)-3-propylpyrrolidin-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) 1.88 2.41 -40.64 2 3 1 29 227.372 4 ↓
Mid Mid (pH 6-8) 1.88 4.53 -106.71 3 3 2 30 228.38 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(3R)-3-propylpyrrolidin-3-yl]methyl]-1,4-oxazepane 4-[[(3R)-3-propylpyrrolidin-3-yl…

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Activity (Go SEA)

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) 1.88 2.39 -41.57 2 3 1 29 227.372 4 ↓
Mid Mid (pH 6-8) 1.88 4.45 -104.95 3 3 2 30 228.38 4 ↓