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Analogs

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Popular Name: (1S,2S)-2-[(2,2-dimethylmorpholin-4-yl)methyl]cyclohexanol (1S,2S)-2-[(2,2-dimethylmorpholi…

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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) 2.14 2.84 -3.13 1 3 0 33 227.348 2 ↓
Mid Mid (pH 6-8) 2.14 4.48 -33.53 2 3 1 34 228.356 2 ↓

Analogs

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Popular Name: (1S,2R)-2-[(2,2-dimethylmorpholin-4-yl)methyl]cyclohexanol (1S,2R)-2-[(2,2-dimethylmorpholi…

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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) 2.14 2.66 -3.47 1 3 0 33 227.348 2 ↓
Mid Mid (pH 6-8) 2.14 4.34 -33.01 2 3 1 34 228.356 2 ↓

Analogs

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Popular Name: (1S,2S,4R)-2-[(2,2-dimethylmorpholin-4-yl)methyl]-4-methyl-cyclohexanol (1S,2S,4R)-2-[(2,2-dimethylmorph…

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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) 2.14 3.43 -3.04 1 3 0 33 241.375 2 ↓
Mid Mid (pH 6-8) 2.14 5.08 -33.96 2 3 1 34 242.383 2 ↓

Analogs

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Popular Name: (1S,2S,4S)-2-[(2,2-dimethylmorpholin-4-yl)methyl]-4-methyl-cyclohexanol (1S,2S,4S)-2-[(2,2-dimethylmorph…

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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) 2.14 3.21 -3.08 1 3 0 33 241.375 2 ↓
Mid Mid (pH 6-8) 2.14 4.84 -33.89 2 3 1 34 242.383 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4R)-2-[(2,2-dimethylmorpholin-4-yl)methyl]-4-methyl-cyclohexanol (1R,2S,4R)-2-[(2,2-dimethylmorph…

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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) 2.14 4.36 -2.57 1 3 0 33 241.375 2 ↓
Mid Mid (pH 6-8) 2.14 5.53 -30.52 2 3 1 34 242.383 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4S)-2-[(2,2-dimethylmorpholin-4-yl)methyl]-4-methyl-cyclohexanol (1R,2S,4S)-2-[(2,2-dimethylmorph…

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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) 2.14 3.07 -3.35 1 3 0 33 241.375 2 ↓
Mid Mid (pH 6-8) 2.14 4.72 -33.5 2 3 1 34 242.383 2 ↓

Analogs

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Popular Name: (1S,2S,4R)-2-[(2,2-dimethylmorpholin-4-yl)methyl]-4-ethyl-cyclohexanol (1S,2S,4R)-2-[(2,2-dimethylmorph…

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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) 2.83 4.08 -3 1 3 0 33 255.402 3 ↓
Mid Mid (pH 6-8) 2.83 5.74 -34.12 2 3 1 34 256.41 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4S)-2-[(2,2-dimethylmorpholin-4-yl)methyl]-4-ethyl-cyclohexanol (1S,2S,4S)-2-[(2,2-dimethylmorph…

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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) 2.83 3.67 -3.26 1 3 0 33 255.402 3 ↓
Mid Mid (pH 6-8) 2.83 5.33 -32.82 2 3 1 34 256.41 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4R)-2-[(2,2-dimethylmorpholin-4-yl)methyl]-4-ethyl-cyclohexanol (1R,2S,4R)-2-[(2,2-dimethylmorph…

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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) 2.83 5.01 -2.51 1 3 0 33 255.402 3 ↓
Mid Mid (pH 6-8) 2.83 6.18 -30.67 2 3 1 34 256.41 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4S)-2-[(2,2-dimethylmorpholin-4-yl)methyl]-4-ethyl-cyclohexanol (1R,2S,4S)-2-[(2,2-dimethylmorph…

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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) 2.83 3.77 -3.17 1 3 0 33 255.402 3 ↓
Mid Mid (pH 6-8) 2.83 5.4 -36.86 2 3 1 34 256.41 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4R)-2-[(2,2-dimethylmorpholin-4-yl)methyl]-4-propyl-cyclohexanol (1S,2S,4R)-2-[(2,2-dimethylmorph…

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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) 3.39 4.84 -2.94 1 3 0 33 269.429 4 ↓
Mid Mid (pH 6-8) 3.39 6.49 -34.23 2 3 1 34 270.437 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4S)-2-[(2,2-dimethylmorpholin-4-yl)methyl]-4-propyl-cyclohexanol (1S,2S,4S)-2-[(2,2-dimethylmorph…

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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) 3.39 4.43 -3.23 1 3 0 33 269.429 4 ↓
Mid Mid (pH 6-8) 3.39 6.09 -33.15 2 3 1 34 270.437 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4R)-2-[(2,2-dimethylmorpholin-4-yl)methyl]-4-propyl-cyclohexanol (1R,2S,4R)-2-[(2,2-dimethylmorph…

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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) 3.39 4.69 -3.28 1 3 0 33 269.429 4 ↓
Mid Mid (pH 6-8) 3.39 6.35 -33.93 2 3 1 34 270.437 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4S)-2-[(2,2-dimethylmorpholin-4-yl)methyl]-4-propyl-cyclohexanol (1R,2S,4S)-2-[(2,2-dimethylmorph…

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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) 3.39 4.46 -2.96 1 3 0 33 269.429 4 ↓
Mid Mid (pH 6-8) 3.39 6.14 -37.41 2 3 1 34 270.437 4 ↓

Analogs

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Popular Name: (1S,2S,4R)-4-tert-butyl-2-[(2,2-dimethylmorpholin-4-yl)methyl]cyclohexanol (1S,2S,4R)-4-tert-butyl-2-[(2,2-…

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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) 3.47 4.86 -2.52 1 3 0 33 283.456 3 ↓
Mid Mid (pH 6-8) 3.47 6.48 -34.74 2 3 1 34 284.464 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R,4R)-4-tert-butyl-2-[(2,2-dimethylmorpholin-4-yl)methyl]cyclohexanol (1S,2R,4R)-4-tert-butyl-2-[(2,2-…

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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) 3.47 4.45 -2.76 1 3 0 33 283.456 3 ↓
Mid Mid (pH 6-8) 3.47 6.14 -37.43 2 3 1 34 284.464 3 ↓

Analogs

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Popular Name: (1S,2S)-2-[[(3R)-3-ethylmorpholin-4-yl]methyl]cyclohexanol (1S,2S)-2-[[(3R)-3-ethylmorpholi…

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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) 2.19 2.37 -3.16 1 3 0 33 227.348 3 ↓
Mid Mid (pH 6-8) 2.19 4.25 -32.17 2 3 1 34 228.356 3 ↓

Analogs

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Popular Name: (1S,2S)-2-[[(3S)-3-ethylmorpholin-4-yl]methyl]cyclohexanol (1S,2S)-2-[[(3S)-3-ethylmorpholi…

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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) 2.19 2.12 -3.21 1 3 0 33 227.348 3 ↓
Mid Mid (pH 6-8) 2.19 4.08 -33.36 2 3 1 34 228.356 3 ↓

Analogs

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Popular Name: (1S,2S,4R)-2-[[(3R)-3-ethylmorpholin-4-yl]methyl]-4-methyl-cyclohexanol (1S,2S,4R)-2-[[(3R)-3-ethylmorph…

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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) 2.20 3.18 -2.7 1 3 0 33 241.375 3 ↓
Mid Mid (pH 6-8) 2.20 4.73 -33.9 2 3 1 34 242.383 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4R)-2-[[(3S)-3-ethylmorpholin-4-yl]methyl]-4-methyl-cyclohexanol (1S,2S,4R)-2-[[(3S)-3-ethylmorph…

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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) 2.20 2.98 -2.71 1 3 0 33 241.375 3 ↓
Mid Mid (pH 6-8) 2.20 4.89 -32.99 2 3 1 34 242.383 3 ↓

Analogs

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Popular Name: (1S,2S,4R)-4-ethyl-2-[[(3S)-3-ethylmorpholin-4-yl]methyl]cyclohexanol (1S,2S,4R)-4-ethyl-2-[[(3S)-3-et…

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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) 2.88 3.63 -2.65 1 3 0 33 255.402 4 ↓
Mid Mid (pH 6-8) 2.88 5.53 -32.99 2 3 1 34 256.41 4 ↓

Analogs

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Popular Name: (1S,2S,4S)-4-ethyl-2-[[(3S)-3-ethylmorpholin-4-yl]methyl]cyclohexanol (1S,2S,4S)-4-ethyl-2-[[(3S)-3-et…

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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) 2.88 4.28 -2.61 1 3 0 33 255.402 4 ↓
Mid Mid (pH 6-8) 2.88 5.69 -28.52 2 3 1 34 256.41 4 ↓

Analogs

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Popular Name: (1R,2S,4R)-4-ethyl-2-[[(3S)-3-ethylmorpholin-4-yl]methyl]cyclohexanol (1R,2S,4R)-4-ethyl-2-[[(3S)-3-et…

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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) 2.88 4.58 -2.64 1 3 0 33 255.402 4 ↓
Mid Mid (pH 6-8) 2.88 5.98 -29.13 2 3 1 34 256.41 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4S)-4-ethyl-2-[[(3S)-3-ethylmorpholin-4-yl]methyl]cyclohexanol (1R,2S,4S)-4-ethyl-2-[[(3S)-3-et…

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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) 2.88 3.26 -2.94 1 3 0 33 255.402 4 ↓
Mid Mid (pH 6-8) 2.88 5.17 -35.36 2 3 1 34 256.41 4 ↓

Analogs

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Popular Name: (1S,2S,4R)-2-[[(3S)-3-ethylmorpholin-4-yl]methyl]-4-propyl-cyclohexanol (1S,2S,4R)-2-[[(3S)-3-ethylmorph…

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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) 3.44 4.39 -2.65 1 3 0 33 269.429 5 ↓
Mid Mid (pH 6-8) 3.44 6.29 -33.03 2 3 1 34 270.437 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4S)-2-[[(3S)-3-ethylmorpholin-4-yl]methyl]-4-propyl-cyclohexanol (1S,2S,4S)-2-[[(3S)-3-ethylmorph…

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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) 3.44 5.03 -2.6 1 3 0 33 269.429 5 ↓
Mid Mid (pH 6-8) 3.44 6.44 -28.75 2 3 1 34 270.437 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4R)-2-[[(3S)-3-ethylmorpholin-4-yl]methyl]-4-propyl-cyclohexanol (1R,2S,4R)-2-[[(3S)-3-ethylmorph…

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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) 3.44 5.33 -2.61 1 3 0 33 269.429 5 ↓
Mid Mid (pH 6-8) 3.44 6.73 -29.23 2 3 1 34 270.437 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4S)-2-[[(3S)-3-ethylmorpholin-4-yl]methyl]-4-propyl-cyclohexanol (1R,2S,4S)-2-[[(3S)-3-ethylmorph…

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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) 3.44 4.01 -2.89 1 3 0 33 269.429 5 ↓
Mid Mid (pH 6-8) 3.44 5.93 -35.51 2 3 1 34 270.437 5 ↓

Analogs

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Popular Name: (1S,2S,4R)-4-tert-butyl-2-[[(3R)-3-ethylmorpholin-4-yl]methyl]cyclohexanol (1S,2S,4R)-4-tert-butyl-2-[[(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) 3.53 4.58 -2.4 1 3 0 33 283.456 4 ↓
Mid Mid (pH 6-8) 3.53 6.12 -34.24 2 3 1 34 284.464 4 ↓

Analogs

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Popular Name: (1S,2S,4R)-4-tert-butyl-2-[[(3S)-3-ethylmorpholin-4-yl]methyl]cyclohexanol (1S,2S,4R)-4-tert-butyl-2-[[(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) 3.53 4.38 -2.41 1 3 0 33 283.456 4 ↓
Mid Mid (pH 6-8) 3.53 6.28 -33.28 2 3 1 34 284.464 4 ↓

Analogs

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Popular Name: (1S,2S)-2-[[(6R)-2,2,6-trimethylmorpholin-4-yl]methyl]cyclohexanol (1S,2S)-2-[[(6R)-2,2,6-trimethyl…

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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) 2.50 3.6 -2.75 1 3 0 33 241.375 2 ↓
Mid Mid (pH 6-8) 2.50 5.22 -33.49 2 3 1 34 242.383 2 ↓

Analogs

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Popular Name: (1S,2S)-2-[[(6S)-2,2,6-trimethylmorpholin-4-yl]methyl]cyclohexanol (1S,2S)-2-[[(6S)-2,2,6-trimethyl…

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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) 2.50 3.52 -3.18 1 3 0 33 241.375 2 ↓
Mid Mid (pH 6-8) 2.50 5.21 -33.45 2 3 1 34 242.383 2 ↓

Analogs

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Popular Name: (1S,2S,4R)-4-methyl-2-[[(6S)-2,2,6-trimethylmorpholin-4-yl]methyl]cyclohexanol (1S,2S,4R)-4-methyl-2-[[(6S)-2,2…

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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) 2.51 4.16 -3.04 1 3 0 33 255.402 2 ↓
Mid Mid (pH 6-8) 2.51 5.81 -33.92 2 3 1 34 256.41 2 ↓

Analogs

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Popular Name: (1S,2S,4S)-4-methyl-2-[[(6S)-2,2,6-trimethylmorpholin-4-yl]methyl]cyclohexanol (1S,2S,4S)-4-methyl-2-[[(6S)-2,2…

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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) 2.51 3.94 -3.09 1 3 0 33 255.402 2 ↓
Mid Mid (pH 6-8) 2.51 5.57 -33.8 2 3 1 34 256.41 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4R)-4-methyl-2-[[(6S)-2,2,6-trimethylmorpholin-4-yl]methyl]cyclohexanol (1R,2S,4R)-4-methyl-2-[[(6S)-2,2…

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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) 2.51 4.02 -3.38 1 3 0 33 255.402 2 ↓
Mid Mid (pH 6-8) 2.51 5.67 -33.51 2 3 1 34 256.41 2 ↓

Analogs

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Popular Name: (1R,2S,4S)-4-methyl-2-[[(6S)-2,2,6-trimethylmorpholin-4-yl]methyl]cyclohexanol (1R,2S,4S)-4-methyl-2-[[(6S)-2,2…

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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) 2.51 3.81 -3.34 1 3 0 33 255.402 2 ↓
Mid Mid (pH 6-8) 2.51 5.45 -33.51 2 3 1 34 256.41 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4R)-4-ethyl-2-[[(6S)-2,2,6-trimethylmorpholin-4-yl]methyl]cyclohexanol (1S,2S,4R)-4-ethyl-2-[[(6S)-2,2,…

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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) 3.19 4.82 -2.97 1 3 0 33 269.429 3 ↓
Mid Mid (pH 6-8) 3.19 6.47 -34.03 2 3 1 34 270.437 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4S)-4-ethyl-2-[[(6S)-2,2,6-trimethylmorpholin-4-yl]methyl]cyclohexanol (1S,2S,4S)-4-ethyl-2-[[(6S)-2,2,…

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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) 3.19 4.4 -3.36 1 3 0 33 269.429 3 ↓
Mid Mid (pH 6-8) 3.19 6.06 -32.78 2 3 1 34 270.437 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4R)-4-ethyl-2-[[(6S)-2,2,6-trimethylmorpholin-4-yl]methyl]cyclohexanol (1R,2S,4R)-4-ethyl-2-[[(6S)-2,2,…

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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) 3.19 4.67 -3.32 1 3 0 33 269.429 3 ↓
Mid Mid (pH 6-8) 3.19 6.32 -33.77 2 3 1 34 270.437 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4S)-4-ethyl-2-[[(6S)-2,2,6-trimethylmorpholin-4-yl]methyl]cyclohexanol (1R,2S,4S)-4-ethyl-2-[[(6S)-2,2,…

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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) 3.19 4.51 -3.24 1 3 0 33 269.429 3 ↓
Mid Mid (pH 6-8) 3.19 6.13 -36.85 2 3 1 34 270.437 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4R)-4-propyl-2-[[(6S)-2,2,6-trimethylmorpholin-4-yl]methyl]cyclohexanol (1S,2S,4R)-4-propyl-2-[[(6S)-2,2…

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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) 3.75 5.57 -2.88 1 3 0 33 283.456 4 ↓
Mid Mid (pH 6-8) 3.75 7.22 -34.17 2 3 1 34 284.464 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4S)-4-propyl-2-[[(6S)-2,2,6-trimethylmorpholin-4-yl]methyl]cyclohexanol (1S,2S,4S)-4-propyl-2-[[(6S)-2,2…

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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) 3.75 5.16 -3.27 1 3 0 33 283.456 4 ↓
Mid Mid (pH 6-8) 3.75 6.81 -33.07 2 3 1 34 284.464 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4R)-4-propyl-2-[[(6S)-2,2,6-trimethylmorpholin-4-yl]methyl]cyclohexanol (1R,2S,4R)-4-propyl-2-[[(6S)-2,2…

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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) 3.75 5.42 -3.28 1 3 0 33 283.456 4 ↓
Mid Mid (pH 6-8) 3.75 7.08 -33.96 2 3 1 34 284.464 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4S)-4-propyl-2-[[(6S)-2,2,6-trimethylmorpholin-4-yl]methyl]cyclohexanol (1R,2S,4S)-4-propyl-2-[[(6S)-2,2…

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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) 3.75 5.26 -3.16 1 3 0 33 283.456 4 ↓
Mid Mid (pH 6-8) 3.75 6.88 -37.13 2 3 1 34 284.464 4 ↓

Analogs

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Popular Name: (1S,2S,4R)-4-tert-butyl-2-[[(6R)-2,2,6-trimethylmorpholin-4-yl]methyl]cyclohexanol (1S,2S,4R)-4-tert-butyl-2-[[(6R)…

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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) 3.83 5.53 -2.49 1 3 0 33 297.483 3 ↓
Mid Mid (pH 6-8) 3.83 7.21 -34.62 2 3 1 34 298.491 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4R)-4-tert-butyl-2-[[(6S)-2,2,6-trimethylmorpholin-4-yl]methyl]cyclohexanol (1S,2S,4R)-4-tert-butyl-2-[[(6S)…

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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) 3.83 5.58 -2.71 1 3 0 33 297.483 3 ↓
Mid Mid (pH 6-8) 3.83 7.21 -34.67 2 3 1 34 298.491 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[(3,3-dimethylmorpholin-4-yl)methyl]cyclohexanol (1S,2S)-2-[(3,3-dimethylmorpholi…

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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) 2.14 2.08 -2.91 1 3 0 33 227.348 2 ↓
Mid Mid (pH 6-8) 2.14 3.93 -30.76 2 3 1 34 228.356 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[(3,3-dimethylmorpholin-4-yl)methyl]cyclohexanol (1S,2R)-2-[(3,3-dimethylmorpholi…

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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) 2.14 3.02 -2.58 1 3 0 33 227.348 2 ↓
Mid Mid (pH 6-8) 2.14 4.38 -27.46 2 3 1 34 228.356 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4R)-2-[(3,3-dimethylmorpholin-4-yl)methyl]-4-methyl-cyclohexanol (1S,2S,4R)-2-[(3,3-dimethylmorph…

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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) 2.14 2.72 -2.77 1 3 0 33 241.375 2 ↓
Mid Mid (pH 6-8) 2.14 4.54 -31.12 2 3 1 34 242.383 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4S)-2-[(3,3-dimethylmorpholin-4-yl)methyl]-4-methyl-cyclohexanol (1S,2S,4S)-2-[(3,3-dimethylmorph…

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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) 2.14 2.48 -2.45 1 3 0 33 241.375 2 ↓
Mid Mid (pH 6-8) 2.14 4.31 -31.56 2 3 1 34 242.383 2 ↓

Parameters Provided:

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filter.purchasability = annotated
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Structural Results Found: (before additional filtering)

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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 = 28642 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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