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Analogs

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Popular Name: (3R)-N-methyl-1,1-dioxo-N-[[(3R)-3-piperidyl]methyl]thiolan-3-amine (3R)-N-methyl-1,1-dioxo-N-[[(3R)…

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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) 0.07 0.7 -48.08 2 4 1 54 247.384 3 ↓
Mid Mid (pH 6-8) 0.07 2.85 -127.99 3 4 2 55 248.392 3 ↓

Analogs

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Popular Name: (3R)-N-methyl-1,1-dioxo-N-[[(3S)-3-piperidyl]methyl]thiolan-3-amine (3R)-N-methyl-1,1-dioxo-N-[[(3S)…

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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) 0.07 0.96 -50.16 2 4 1 54 247.384 3 ↓
Mid Mid (pH 6-8) 0.07 2.85 -128.82 3 4 2 55 248.392 3 ↓

Analogs

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Popular Name: (3R)-N-[[(3S)-3-ethyl-3-piperidyl]methyl]-N-methyl-1,1-dioxo-thiolan-3-amine (3R)-N-[[(3S)-3-ethyl-3-piperidy…

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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 1.6 -49.71 2 4 1 54 275.438 4 ↓
Lo Low (pH 4.5-6) 0.65 3.57 -128.26 3 4 2 55 276.446 4 ↓

Analogs

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Popular Name: (3R)-N-[[(3R)-3-ethyl-3-piperidyl]methyl]-N-methyl-1,1-dioxo-thiolan-3-amine (3R)-N-[[(3R)-3-ethyl-3-piperidy…

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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 2.28 -49.91 2 4 1 54 275.438 4 ↓
Lo Low (pH 4.5-6) 0.65 3.58 -129.43 3 4 2 55 276.446 4 ↓

Analogs

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Popular Name: (3R)-N-methyl-N-[[(3S)-3-methyl-3-piperidyl]methyl]-1,1-dioxo-thiolan-3-amine (3R)-N-methyl-N-[[(3S)-3-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) 0.31 1.16 -50 2 4 1 54 261.411 3 ↓
Lo Low (pH 4.5-6) 0.31 3.27 -118.56 3 4 2 55 262.419 3 ↓

Analogs

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Popular Name: (3R)-N-methyl-N-[[(3R)-3-methyl-3-piperidyl]methyl]-1,1-dioxo-thiolan-3-amine (3R)-N-methyl-N-[[(3R)-3-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) 0.31 1.59 -50.46 2 4 1 54 261.411 3 ↓
Lo Low (pH 4.5-6) 0.31 3.19 -120.78 3 4 2 55 262.419 3 ↓

Analogs

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Popular Name: (3R)-N-methyl-1,1-dioxo-N-[[(3S)-3-propyl-3-piperidyl]methyl]thiolan-3-amine (3R)-N-methyl-1,1-dioxo-N-[[(3S)…

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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) 1.21 2.38 -50.32 2 4 1 54 289.465 5 ↓
Lo Low (pH 4.5-6) 1.21 4.34 -130.26 3 4 2 55 290.473 5 ↓

Analogs

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Popular Name: (3R)-N-methyl-1,1-dioxo-N-[[(3R)-3-propyl-3-piperidyl]methyl]thiolan-3-amine (3R)-N-methyl-1,1-dioxo-N-[[(3R)…

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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) 1.21 3.04 -50.53 2 4 1 54 289.465 5 ↓
Lo Low (pH 4.5-6) 1.21 4.35 -131.31 3 4 2 55 290.473 5 ↓

Analogs

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Popular Name: (3R)-N-[[(3S)-3-ethyl-3-piperidyl]methyl]-3-methyl-1,1-dioxo-thiolan-3-amine (3R)-N-[[(3S)-3-ethyl-3-piperidy…

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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) 0.85 1.53 -49.85 3 4 1 63 275.438 4 ↓
Mid Mid (pH 6-8) 0.85 2.4 -119.96 4 4 2 67 276.446 4 ↓

Analogs

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Popular Name: (3R)-N-[[(3R)-3-ethyl-3-piperidyl]methyl]-3-methyl-1,1-dioxo-thiolan-3-amine (3R)-N-[[(3R)-3-ethyl-3-piperidy…

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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) 0.85 1.47 -53.55 3 4 1 63 275.438 4 ↓
Mid Mid (pH 6-8) 0.85 2.41 -128.82 4 4 2 67 276.446 4 ↓

Analogs

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Popular Name: (3S)-N-[[(3S)-3-ethyl-3-piperidyl]methyl]-3-methyl-1,1-dioxo-thiolan-3-amine (3S)-N-[[(3S)-3-ethyl-3-piperidy…

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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) 0.85 1.39 -48.77 3 4 1 63 275.438 4 ↓
Mid Mid (pH 6-8) 0.85 2.3 -121.05 4 4 2 67 276.446 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[[(3R)-3-ethyl-3-piperidyl]methyl]-3-methyl-1,1-dioxo-thiolan-3-amine (3S)-N-[[(3R)-3-ethyl-3-piperidy…

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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) 0.85 1.42 -55.94 3 4 1 63 275.438 4 ↓
Mid Mid (pH 6-8) 0.85 2.31 -127.58 4 4 2 67 276.446 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-N-[[(3S)-3-methyl-3-piperidyl]methyl]-1,1-dioxo-thiolan-3-amine (3R)-3-methyl-N-[[(3S)-3-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) 0.52 0.98 -49.5 3 4 1 63 261.411 3 ↓
Mid Mid (pH 6-8) 0.52 1.98 -120.04 4 4 2 67 262.419 3 ↓

Analogs

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Popular Name: (3R)-3-methyl-N-[[(3R)-3-methyl-3-piperidyl]methyl]-1,1-dioxo-thiolan-3-amine (3R)-3-methyl-N-[[(3R)-3-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) 0.52 0.97 -49.7 3 4 1 63 261.411 3 ↓
Mid Mid (pH 6-8) 0.52 1.98 -120.08 4 4 2 67 262.419 3 ↓

Analogs

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Popular Name: (3S)-3-methyl-N-[[(3S)-3-methyl-3-piperidyl]methyl]-1,1-dioxo-thiolan-3-amine (3S)-3-methyl-N-[[(3S)-3-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) 0.52 0.93 -48.42 3 4 1 63 261.411 3 ↓
Mid Mid (pH 6-8) 0.52 1.94 -121.33 4 4 2 67 262.419 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-N-[[(3R)-3-methyl-3-piperidyl]methyl]-1,1-dioxo-thiolan-3-amine (3S)-3-methyl-N-[[(3R)-3-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) 0.52 0.92 -48.64 3 4 1 63 261.411 3 ↓
Mid Mid (pH 6-8) 0.52 1.94 -121.28 4 4 2 67 262.419 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-1,1-dioxo-N-[[(3S)-3-propyl-3-piperidyl]methyl]thiolan-3-amine (3R)-3-methyl-1,1-dioxo-N-[[(3S)…

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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) 1.41 2.27 -51 3 4 1 63 289.465 5 ↓
Mid Mid (pH 6-8) 1.41 3.15 -122.57 4 4 2 67 290.473 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-1,1-dioxo-N-[[(3R)-3-propyl-3-piperidyl]methyl]thiolan-3-amine (3R)-3-methyl-1,1-dioxo-N-[[(3R)…

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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) 1.41 2.23 -54.12 3 4 1 63 289.465 5 ↓
Mid Mid (pH 6-8) 1.41 3.17 -130.66 4 4 2 67 290.473 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-1,1-dioxo-N-[[(3S)-3-propyl-3-piperidyl]methyl]thiolan-3-amine (3S)-3-methyl-1,1-dioxo-N-[[(3S)…

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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) 1.41 2.14 -49.87 3 4 1 63 289.465 5 ↓
Mid Mid (pH 6-8) 1.41 3.07 -123.61 4 4 2 67 290.473 5 ↓

Analogs

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Popular Name: (3S)-3-methyl-1,1-dioxo-N-[[(3R)-3-propyl-3-piperidyl]methyl]thiolan-3-amine (3S)-3-methyl-1,1-dioxo-N-[[(3R)…

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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) 1.41 2.18 -56.48 3 4 1 63 289.465 5 ↓
Mid Mid (pH 6-8) 1.41 3.07 -129.47 4 4 2 67 290.473 5 ↓

Analogs

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Popular Name: (3R)-1,1-dioxo-N-[(1R)-1-[(3S)-1-propyl-3-piperidyl]ethyl]thiolan-3-amine (3R)-1,1-dioxo-N-[(1R)-1-[(3S)-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) 1.63 3.9 -45.48 2 4 1 51 289.465 5 ↓
Mid Mid (pH 6-8) 1.63 4.81 -124.31 3 4 2 55 290.473 5 ↓

Analogs

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Popular Name: (3R)-1,1-dioxo-N-[(1R)-1-[(3R)-1-propyl-3-piperidyl]ethyl]thiolan-3-amine (3R)-1,1-dioxo-N-[(1R)-1-[(3R)-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) 1.63 4.11 -45.22 2 4 1 51 289.465 5 ↓
Mid Mid (pH 6-8) 1.63 4.93 -122.75 3 4 2 55 290.473 5 ↓

Analogs

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Popular Name: (3R)-N-[(1R)-1-[(3S)-1-ethyl-3-piperidyl]ethyl]-1,1-dioxo-thiolan-3-amine (3R)-N-[(1R)-1-[(3S)-1-ethyl-3-p…

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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) 1.13 3.16 -44.78 2 4 1 51 275.438 4 ↓
Mid Mid (pH 6-8) 1.13 4.07 -122.69 3 4 2 55 276.446 4 ↓

Analogs

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Popular Name: (3R)-N-[(1R)-1-[(3R)-1-ethyl-3-piperidyl]ethyl]-1,1-dioxo-thiolan-3-amine (3R)-N-[(1R)-1-[(3R)-1-ethyl-3-p…

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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) 1.13 3.36 -44.55 2 4 1 51 275.438 4 ↓
Mid Mid (pH 6-8) 1.13 4.19 -121.19 3 4 2 55 276.446 4 ↓

Analogs

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Popular Name: (3R)-N-[(1S)-1-[(3R)-1-methyl-3-piperidyl]ethyl]-1,1-dioxo-thiolan-3-amine (3R)-N-[(1S)-1-[(3R)-1-methyl-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) 0.75 2.42 -45.88 2 4 1 51 261.411 3 ↓
Mid Mid (pH 6-8) 0.75 3.52 -120.49 3 4 2 55 262.419 3 ↓

Analogs

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Popular Name: (3R)-N-[(1R)-1-[(3R)-1-methyl-3-piperidyl]ethyl]-1,1-dioxo-thiolan-3-amine (3R)-N-[(1R)-1-[(3R)-1-methyl-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) 0.75 2.71 -45.48 2 4 1 51 261.411 3 ↓
Mid Mid (pH 6-8) 0.75 3.53 -120.64 3 4 2 55 262.419 3 ↓

Analogs

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Popular Name: (3R)-N-[(1S)-1-[(3S)-1-methyl-3-piperidyl]ethyl]-1,1-dioxo-thiolan-3-amine (3R)-N-[(1S)-1-[(3S)-1-methyl-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) 0.75 2.59 -45.61 2 4 1 51 261.411 3 ↓
Mid Mid (pH 6-8) 0.75 3.58 -119.56 3 4 2 55 262.419 3 ↓

Analogs

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Popular Name: (3R)-N-[(1R)-1-[(3S)-1-methyl-3-piperidyl]ethyl]-1,1-dioxo-thiolan-3-amine (3R)-N-[(1R)-1-[(3S)-1-methyl-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) 0.75 2.51 -45.68 2 4 1 51 261.411 3 ↓
Mid Mid (pH 6-8) 0.75 3.42 -122.2 3 4 2 55 262.419 3 ↓

Parameters Provided:

ring.id = 117758
filter.purchasability = annotated
page.format = targets
page.num = 1

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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 = 117758 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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