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Analogs

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Popular Name: 1-(3-methoxyphenyl)-2-[methyl-[[(2S)-tetrahydrofuran-2-yl]methyl]amino]ethanone 1-(3-methoxyphenyl)-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) 1.90 6.79 -42.98 1 4 1 40 264.345 6 ↓
Mid Mid (pH 6-8) 1.90 4.45 -12.5 0 4 0 39 263.337 6 ↓

Analogs

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Popular Name: 1-(3-methoxyphenyl)-2-[methyl-[[(2R)-tetrahydrofuran-2-yl]methyl]amino]ethanone 1-(3-methoxyphenyl)-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) 1.90 6.82 -41.9 1 4 1 40 264.345 6 ↓
Mid Mid (pH 6-8) 1.90 4.48 -12.64 0 4 0 39 263.337 6 ↓

Analogs

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Popular Name: 1-(4-methoxyphenyl)-2-[methyl-[[(2S)-tetrahydrofuran-2-yl]methyl]amino]ethanone 1-(4-methoxyphenyl)-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) 1.92 6.81 -40.83 1 4 1 40 264.345 6 ↓
Mid Mid (pH 6-8) 1.92 4.46 -10.07 0 4 0 39 263.337 6 ↓

Analogs

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Popular Name: 1-(4-methoxyphenyl)-2-[methyl-[[(2R)-tetrahydrofuran-2-yl]methyl]amino]ethanone 1-(4-methoxyphenyl)-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) 1.92 6.82 -41.03 1 4 1 40 264.345 6 ↓
Mid Mid (pH 6-8) 1.92 4.49 -10.18 0 4 0 39 263.337 6 ↓

Analogs

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Popular Name: 1-(2-methoxyphenyl)-2-[methyl-[[(2S)-tetrahydrofuran-2-yl]methyl]amino]ethanone 1-(2-methoxyphenyl)-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) 1.87 7.98 -39.18 1 4 1 40 264.345 6 ↓
Mid Mid (pH 6-8) 1.87 5.71 -12.66 0 4 0 39 263.337 6 ↓

Analogs

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Popular Name: 1-(2-methoxyphenyl)-2-[methyl-[[(2R)-tetrahydrofuran-2-yl]methyl]amino]ethanone 1-(2-methoxyphenyl)-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) 1.87 7.97 -40.52 1 4 1 40 264.345 6 ↓
Mid Mid (pH 6-8) 1.87 5.65 -12.83 0 4 0 39 263.337 6 ↓

Analogs

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Popular Name: 1-(2,5-dimethylphenyl)-2-[methyl-[[(2S)-tetrahydrofuran-2-yl]methyl]amino]ethanone 1-(2,5-dimethylphenyl)-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) 2.69 8.89 -37.49 1 3 1 31 262.373 5 ↓
Mid Mid (pH 6-8) 2.69 6.64 -8.23 0 3 0 30 261.365 5 ↓

Analogs

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Popular Name: 1-(2,5-dimethylphenyl)-2-[methyl-[[(2R)-tetrahydrofuran-2-yl]methyl]amino]ethanone 1-(2,5-dimethylphenyl)-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) 2.69 8.85 -38.89 1 3 1 31 262.373 5 ↓
Mid Mid (pH 6-8) 2.69 6.51 -8.49 0 3 0 30 261.365 5 ↓

Analogs

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Popular Name: 1-(3-bromo-4-methoxy-phenyl)-2-[methyl-[[(2S)-tetrahydrofuran-2-yl]methyl]amino]ethanone 1-(3-bromo-4-methoxy-phenyl)-2-[…

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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) 2.66 7.48 -46.43 1 4 1 40 343.241 6 ↓
Mid Mid (pH 6-8) 2.66 5.13 -12.56 0 4 0 39 342.233 6 ↓

Analogs

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Popular Name: 1-(3-bromo-4-methoxy-phenyl)-2-[methyl-[[(2R)-tetrahydrofuran-2-yl]methyl]amino]ethanone 1-(3-bromo-4-methoxy-phenyl)-2-[…

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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) 2.66 7.51 -45.19 1 4 1 40 343.241 6 ↓
Mid Mid (pH 6-8) 2.66 5.17 -12.77 0 4 0 39 342.233 6 ↓

Analogs

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Popular Name: 1-(4-ethylphenyl)-2-[methyl-[[(2S)-tetrahydrofuran-2-yl]methyl]amino]ethanone 1-(4-ethylphenyl)-2-[methyl-[[(2…

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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) 2.78 8.94 -39.29 1 3 1 31 262.373 6 ↓
Mid Mid (pH 6-8) 2.78 6.6 -9.34 0 3 0 30 261.365 6 ↓

Analogs

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Popular Name: 1-(4-ethylphenyl)-2-[methyl-[[(2R)-tetrahydrofuran-2-yl]methyl]amino]ethanone 1-(4-ethylphenyl)-2-[methyl-[[(2…

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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) 2.78 8.95 -39.5 1 3 1 31 262.373 6 ↓
Mid Mid (pH 6-8) 2.78 6.61 -9.45 0 3 0 30 261.365 6 ↓

Analogs

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Popular Name: 1-(2,4-dimethylphenyl)-2-[methyl-[[(2S)-tetrahydrofuran-2-yl]methyl]amino]ethanone 1-(2,4-dimethylphenyl)-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) 2.69 8.85 -38.84 1 3 1 31 262.373 5 ↓
Mid Mid (pH 6-8) 2.69 6.51 -8.57 0 3 0 30 261.365 5 ↓

Analogs

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Popular Name: 1-(2,4-dimethylphenyl)-2-[methyl-[[(2R)-tetrahydrofuran-2-yl]methyl]amino]ethanone 1-(2,4-dimethylphenyl)-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) 2.69 8.86 -37.85 1 3 1 31 262.373 5 ↓
Mid Mid (pH 6-8) 2.69 6.62 -8.76 0 3 0 30 261.365 5 ↓

Analogs

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Popular Name: 1-(4-isopropylphenyl)-2-[methyl-[[(2S)-tetrahydrofuran-2-yl]methyl]amino]ethanone 1-(4-isopropylphenyl)-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) 3.38 9.41 -39.24 1 3 1 31 276.4 6 ↓
Mid Mid (pH 6-8) 3.38 7.08 -9.2 0 3 0 30 275.392 6 ↓

Analogs

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Popular Name: 1-(4-isopropylphenyl)-2-[methyl-[[(2R)-tetrahydrofuran-2-yl]methyl]amino]ethanone 1-(4-isopropylphenyl)-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) 3.38 9.42 -39.39 1 3 1 31 276.4 6 ↓
Mid Mid (pH 6-8) 3.38 7.08 -9.35 0 3 0 30 275.392 6 ↓

Analogs

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Popular Name: 1-(2,6-difluorophenyl)-2-[methyl-[[(2S)-tetrahydrofuran-2-yl]methyl]amino]ethanone 1-(2,6-difluorophenyl)-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) 2.10 7.53 -34.57 1 3 1 31 270.299 5 ↓
Mid Mid (pH 6-8) 2.10 5.18 -11.67 0 3 0 30 269.291 5 ↓

Analogs

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Popular Name: 1-(2,6-difluorophenyl)-2-[methyl-[[(2R)-tetrahydrofuran-2-yl]methyl]amino]ethanone 1-(2,6-difluorophenyl)-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) 2.10 7.54 -34.72 1 3 1 31 270.299 5 ↓
Mid Mid (pH 6-8) 2.10 5.21 -11.75 0 3 0 30 269.291 5 ↓

Analogs

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Popular Name: 1-(4-ethoxyphenyl)-2-[methyl-[[(2S)-tetrahydrofuran-2-yl]methyl]amino]ethanone 1-(4-ethoxyphenyl)-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) 2.30 7.74 -40.67 1 4 1 40 278.372 7 ↓
Mid Mid (pH 6-8) 2.30 5.4 -9.91 0 4 0 39 277.364 7 ↓

Analogs

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Popular Name: 1-(4-ethoxyphenyl)-2-[methyl-[[(2R)-tetrahydrofuran-2-yl]methyl]amino]ethanone 1-(4-ethoxyphenyl)-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) 2.30 7.75 -40.86 1 4 1 40 278.372 7 ↓
Mid Mid (pH 6-8) 2.30 5.41 -9.99 0 4 0 39 277.364 7 ↓

Analogs

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Popular Name: (2S)-2-[methyl-[[(2S)-tetrahydrofuran-2-yl]methyl]amino]-1-phenyl-butan-1-one (2S)-2-[methyl-[[(2S)-tetrahydro…

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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) 2.73 8.62 -36.2 1 3 1 31 262.373 6 ↓
Hi High (pH 8-9.5) 2.73 6.69 -9.33 0 3 0 30 261.365 6 ↓

Analogs

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Popular Name: (2R)-2-[methyl-[[(2S)-tetrahydrofuran-2-yl]methyl]amino]-1-phenyl-butan-1-one (2R)-2-[methyl-[[(2S)-tetrahydro…

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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) 2.73 9.02 -34.83 1 3 1 31 262.373 6 ↓
Hi High (pH 8-9.5) 2.73 7.3 -8.62 0 3 0 30 261.365 6 ↓

Analogs

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Popular Name: 1-(2-ethoxyphenyl)-2-[methyl-[[(2S)-tetrahydrofuran-2-yl]methyl]amino]ethanone 1-(2-ethoxyphenyl)-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) 2.25 8.87 -40.06 1 4 1 40 278.372 7 ↓
Mid Mid (pH 6-8) 2.25 6.54 -12.64 0 4 0 39 277.364 7 ↓

Analogs

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Popular Name: 1-(2-ethoxyphenyl)-2-[methyl-[[(2R)-tetrahydrofuran-2-yl]methyl]amino]ethanone 1-(2-ethoxyphenyl)-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) 2.25 8.9 -39.1 1 4 1 40 278.372 7 ↓
Mid Mid (pH 6-8) 2.25 6.6 -12.82 0 4 0 39 277.364 7 ↓

Analogs

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Popular Name: 1-(2-methoxy-4-methyl-phenyl)-2-[methyl-[[(2S)-tetrahydrofuran-2-yl]methyl]amino]ethanone 1-(2-methoxy-4-methyl-phenyl)-2-…

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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) 2.30 8.62 -40.27 1 4 1 40 278.372 6 ↓
Mid Mid (pH 6-8) 2.30 6.29 -12.57 0 4 0 39 277.364 6 ↓

Analogs

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Popular Name: 1-(2-methoxy-4-methyl-phenyl)-2-[methyl-[[(2R)-tetrahydrofuran-2-yl]methyl]amino]ethanone 1-(2-methoxy-4-methyl-phenyl)-2-…

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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) 2.30 8.65 -39.27 1 4 1 40 278.372 6 ↓
Mid Mid (pH 6-8) 2.30 6.35 -12.74 0 4 0 39 277.364 6 ↓

Analogs

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Popular Name: (2R)-2-[methyl-[[(2S)-tetrahydrofuran-2-yl]methyl]amino]-1-(p-tolyl)propan-1-one (2R)-2-[methyl-[[(2S)-tetrahydro…

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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) 2.64 8.55 -36.21 1 3 1 31 262.373 5 ↓
Hi High (pH 8-9.5) 2.64 6.3 -9.95 0 3 0 30 261.365 5 ↓

Analogs

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Popular Name: (2S)-2-[methyl-[[(2S)-tetrahydrofuran-2-yl]methyl]amino]-1-(p-tolyl)propan-1-one (2S)-2-[methyl-[[(2S)-tetrahydro…

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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) 2.64 8.53 -35.86 1 3 1 31 262.373 5 ↓
Hi High (pH 8-9.5) 2.64 6.22 -9.37 0 3 0 30 261.365 5 ↓

Analogs

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Popular Name: (2R)-1-(3,4-dimethylphenyl)-2-[methyl-[[(2S)-tetrahydrofuran-2-yl]methyl]amino]propan-1-one (2R)-1-(3,4-dimethylphenyl)-2-[m…

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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) 3.02 9.09 -36.17 1 3 1 31 276.4 5 ↓
Hi High (pH 8-9.5) 3.02 6.85 -10.25 0 3 0 30 275.392 5 ↓

Analogs

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Popular Name: (2S)-1-(3,4-dimethylphenyl)-2-[methyl-[[(2S)-tetrahydrofuran-2-yl]methyl]amino]propan-1-one (2S)-1-(3,4-dimethylphenyl)-2-[m…

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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) 3.02 9.42 -32.41 1 3 1 31 276.4 5 ↓
Hi High (pH 8-9.5) 3.02 6.65 -9.44 0 3 0 30 275.392 5 ↓

Analogs

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Popular Name: 2-[methyl-[[(2S)-tetrahydrofuran-2-yl]methyl]amino]-1-(4-propylphenyl)ethanone 2-[methyl-[[(2S)-tetrahydrofuran…

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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) 3.17 9.72 -39.28 1 3 1 31 276.4 7 ↓
Mid Mid (pH 6-8) 3.17 7.38 -9.2 0 3 0 30 275.392 7 ↓

Analogs

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Popular Name: 2-[methyl-[[(2R)-tetrahydrofuran-2-yl]methyl]amino]-1-(4-propylphenyl)ethanone 2-[methyl-[[(2R)-tetrahydrofuran…

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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) 3.17 9.72 -39.51 1 3 1 31 276.4 7 ↓
Mid Mid (pH 6-8) 3.17 7.39 -9.38 0 3 0 30 275.392 7 ↓

Analogs

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Popular Name: 2-[methyl-[[(2S)-tetrahydrofuran-2-yl]methyl]amino]-1-(2,4,5-trimethylphenyl)ethanone 2-[methyl-[[(2S)-tetrahydrofuran…

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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) 3.07 9.45 -37.43 1 3 1 31 276.4 5 ↓
Mid Mid (pH 6-8) 3.07 7.2 -8.41 0 3 0 30 275.392 5 ↓

Analogs

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Popular Name: 2-[methyl-[[(2R)-tetrahydrofuran-2-yl]methyl]amino]-1-(2,4,5-trimethylphenyl)ethanone 2-[methyl-[[(2R)-tetrahydrofuran…

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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) 3.07 9.41 -37.59 1 3 1 31 276.4 5 ↓
Mid Mid (pH 6-8) 3.07 7.18 -8.71 0 3 0 30 275.392 5 ↓

Analogs

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Popular Name: 2-[methyl-[[(2S)-tetrahydrofuran-2-yl]methyl]amino]-1-(2,4,6-trimethylphenyl)ethanone 2-[methyl-[[(2S)-tetrahydrofuran…

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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) 3.07 9.47 -37.35 1 3 1 31 276.4 5 ↓
Mid Mid (pH 6-8) 3.07 7.13 -8.76 0 3 0 30 275.392 5 ↓

Analogs

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Popular Name: 2-[methyl-[[(2R)-tetrahydrofuran-2-yl]methyl]amino]-1-(2,4,6-trimethylphenyl)ethanone 2-[methyl-[[(2R)-tetrahydrofuran…

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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) 3.07 9.48 -36.38 1 3 1 31 276.4 5 ↓
Mid Mid (pH 6-8) 3.07 7.18 -8.8 0 3 0 30 275.392 5 ↓

Analogs

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Popular Name: 1-(4-methylsulfanylphenyl)-2-[methyl-[[(2S)-tetrahydrofuran-2-yl]methyl]amino]ethanone 1-(4-methylsulfanylphenyl)-2-[me…

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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) 2.30 8.52 -40.93 1 3 1 31 280.413 6 ↓
Mid Mid (pH 6-8) 2.30 6.16 -9.53 0 3 0 30 279.405 6 ↓

Analogs

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Popular Name: 1-(4-methylsulfanylphenyl)-2-[methyl-[[(2R)-tetrahydrofuran-2-yl]methyl]amino]ethanone 1-(4-methylsulfanylphenyl)-2-[me…

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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) 2.30 8.53 -41.04 1 3 1 31 280.413 6 ↓
Mid Mid (pH 6-8) 2.30 6.2 -9.65 0 3 0 30 279.405 6 ↓

Analogs

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Popular Name: (2R)-1-(4-ethylphenyl)-2-[methyl-[[(2S)-tetrahydrofuran-2-yl]methyl]amino]propan-1-one (2R)-1-(4-ethylphenyl)-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) 3.11 9.3 -36.22 1 3 1 31 276.4 6 ↓
Hi High (pH 8-9.5) 3.11 7.07 -9.68 0 3 0 30 275.392 6 ↓

Analogs

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Popular Name: (2S)-1-(4-ethylphenyl)-2-[methyl-[[(2S)-tetrahydrofuran-2-yl]methyl]amino]propan-1-one (2S)-1-(4-ethylphenyl)-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) 3.11 9.3 -35.82 1 3 1 31 276.4 6 ↓
Hi High (pH 8-9.5) 3.11 6.99 -9.12 0 3 0 30 275.392 6 ↓

Analogs

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Popular Name: 1-(3-chloro-4-methoxy-phenyl)-2-[methyl-[[(2S)-tetrahydrofuran-2-yl]methyl]amino]ethanone 1-(3-chloro-4-methoxy-phenyl)-2-…

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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) 2.53 7.37 -46.54 1 4 1 40 298.79 6 ↓
Mid Mid (pH 6-8) 2.53 5.02 -12.61 0 4 0 39 297.782 6 ↓

Analogs

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Popular Name: 1-(3-chloro-4-methoxy-phenyl)-2-[methyl-[[(2R)-tetrahydrofuran-2-yl]methyl]amino]ethanone 1-(3-chloro-4-methoxy-phenyl)-2-…

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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) 2.53 7.39 -45.25 1 4 1 40 298.79 6 ↓
Mid Mid (pH 6-8) 2.53 5.06 -12.83 0 4 0 39 297.782 6 ↓

Analogs

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Popular Name: 4-[2-[methyl-[[(2S)-tetrahydrofuran-2-yl]methyl]amino]acetyl]benzonitrile 4-[2-[methyl-[[(2S)-tetrahydrofu…

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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) 1.62 7.89 -48.12 1 4 1 55 259.329 5 ↓
Mid Mid (pH 6-8) 1.62 5.54 -11.67 0 4 0 53 258.321 5 ↓

Analogs

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Popular Name: 4-[2-[methyl-[[(2R)-tetrahydrofuran-2-yl]methyl]amino]acetyl]benzonitrile 4-[2-[methyl-[[(2R)-tetrahydrofu…

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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) 1.62 7.9 -48.26 1 4 1 55 259.329 5 ↓
Mid Mid (pH 6-8) 1.62 5.57 -11.83 0 4 0 53 258.321 5 ↓

Analogs

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Popular Name: 1-(3-fluoro-4-methoxy-phenyl)-2-[methyl-[[(2S)-tetrahydrofuran-2-yl]methyl]amino]ethanone 1-(3-fluoro-4-methoxy-phenyl)-2-…

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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) 2.01 6.89 -48.61 1 4 1 40 282.335 6 ↓
Mid Mid (pH 6-8) 2.01 4.55 -13.97 0 4 0 39 281.327 6 ↓

Analogs

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Popular Name: 1-(3-fluoro-4-methoxy-phenyl)-2-[methyl-[[(2R)-tetrahydrofuran-2-yl]methyl]amino]ethanone 1-(3-fluoro-4-methoxy-phenyl)-2-…

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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) 2.01 6.92 -47.29 1 4 1 40 282.335 6 ↓
Mid Mid (pH 6-8) 2.01 4.59 -14.1 0 4 0 39 281.327 6 ↓

Analogs

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Popular Name: (2S)-1-(4-methoxyphenyl)-2-[methyl-[[(2S)-tetrahydrofuran-2-yl]methyl]amino]propan-1-one (2S)-1-(4-methoxyphenyl)-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) 2.25 7.17 -37.18 1 4 1 40 278.372 6 ↓
Hi High (pH 8-9.5) 2.25 4.85 -9.74 0 4 0 39 277.364 6 ↓

Analogs

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Popular Name: (2R)-1-(4-methoxyphenyl)-2-[methyl-[[(2S)-tetrahydrofuran-2-yl]methyl]amino]propan-1-one (2R)-1-(4-methoxyphenyl)-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) 2.25 7.18 -37.59 1 4 1 40 278.372 6 ↓
Hi High (pH 8-9.5) 2.25 4.93 -10.23 0 4 0 39 277.364 6 ↓

Analogs

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Popular Name: (2R)-1-(2,5-dimethylphenyl)-2-[methyl-[[(2S)-tetrahydrofuran-2-yl]methyl]amino]propan-1-one (2R)-1-(2,5-dimethylphenyl)-2-[m…

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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) 3.02 9.6 -34.4 1 3 1 31 276.4 5 ↓
Hi High (pH 8-9.5) 3.02 7.4 -7.59 0 3 0 30 275.392 5 ↓

Analogs

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Popular Name: (2S)-1-(2,5-dimethylphenyl)-2-[methyl-[[(2S)-tetrahydrofuran-2-yl]methyl]amino]propan-1-one (2S)-1-(2,5-dimethylphenyl)-2-[m…

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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) 3.02 9.2 -35.11 1 3 1 31 276.4 5 ↓
Hi High (pH 8-9.5) 3.02 6.89 -8.1 0 3 0 30 275.392 5 ↓

Parameters Provided:

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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 = 6892 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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