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Analogs

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Popular Name: [(2S)-4-ethyl-1-methylsulfonyl-piperazin-2-yl]-morpholino-methanone [(2S)-4-ethyl-1-methylsulfonyl-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) -0.83 -0.08 -11.1 0 7 0 70 305.4 3 ↓
Mid Mid (pH 6-8) -0.83 2.16 -54.52 1 7 1 71 306.408 3 ↓

Analogs

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Popular Name: morpholino-[(2S)-piperazin-2-yl]methanone morpholino-[(2S)-piperazin-2-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) -1.42 -1.56 -50.34 3 5 1 58 200.262 1 ↓
Mid Mid (pH 6-8) -1.42 -2.91 -7.88 2 5 0 54 199.254 1 ↓

Analogs

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Popular Name: morpholino-[(2R)-piperazin-2-yl]methanone morpholino-[(2R)-piperazin-2-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) -1.42 -1.49 -49.74 3 5 1 58 200.262 1 ↓
Mid Mid (pH 6-8) -1.42 -2.86 -7.85 2 5 0 54 199.254 1 ↓

Analogs

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Popular Name: [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(2S)-piperazin-2-yl]methanone [(2S,6R)-2,6-dimethylmorpholin-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) -0.70 0 -50.28 3 5 1 58 228.316 1 ↓
Mid Mid (pH 6-8) -0.70 -1.36 -7.28 2 5 0 54 227.308 1 ↓

Analogs

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Popular Name: [(2S,6S)-2,6-dimethylmorpholin-4-yl]-[(2S)-piperazin-2-yl]methanone [(2S,6S)-2,6-dimethylmorpholin-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) -0.70 0.18 -50.11 3 5 1 58 228.316 1 ↓
Mid Mid (pH 6-8) -0.70 -1.19 -7.03 2 5 0 54 227.308 1 ↓

Analogs

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Popular Name: [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[(2S)-piperazin-2-yl]methanone [(2R,6R)-2,6-dimethylmorpholin-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) -0.70 0 -50.02 3 5 1 58 228.316 1 ↓
Mid Mid (pH 6-8) -0.70 -1.37 -7.47 2 5 0 54 227.308 1 ↓

Analogs

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Popular Name: [(2R)-2-methylmorpholin-4-yl]-[(2S)-piperazin-2-yl]methanone [(2R)-2-methylmorpholin-4-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) -1.06 -0.75 -49.95 3 5 1 58 214.289 1 ↓
Mid Mid (pH 6-8) -1.06 -2.11 -7.66 2 5 0 54 213.281 1 ↓

Analogs

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Popular Name: [(2S)-2-methylmorpholin-4-yl]-[(2S)-piperazin-2-yl]methanone [(2S)-2-methylmorpholin-4-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) -1.06 -0.74 -49.77 3 5 1 58 214.289 1 ↓
Mid Mid (pH 6-8) -1.06 -2.11 -7.71 2 5 0 54 213.281 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-2-methylmorpholin-4-yl]-[(2R)-piperazin-2-yl]methanone [(2R)-2-methylmorpholin-4-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) -1.06 -0.79 -50.07 3 5 1 58 214.289 1 ↓
Mid Mid (pH 6-8) -1.06 -2.16 -7.8 2 5 0 54 213.281 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-2-methylmorpholin-4-yl]-[(2R)-piperazin-2-yl]methanone [(2S)-2-methylmorpholin-4-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) -1.06 -0.8 -50.3 3 5 1 58 214.289 1 ↓
Mid Mid (pH 6-8) -1.06 -2.17 -7.7 2 5 0 54 213.281 1 ↓

Analogs

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Popular Name: [(3R)-3-methylmorpholin-4-yl]-[(2S)-piperazin-2-yl]methanone [(3R)-3-methylmorpholin-4-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) -1.09 -0.87 -48.66 3 5 1 58 214.289 1 ↓
Mid Mid (pH 6-8) -1.09 -2.23 -6.79 2 5 0 54 213.281 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-methylmorpholin-4-yl]-[(2S)-piperazin-2-yl]methanone [(3S)-3-methylmorpholin-4-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) -1.09 -0.89 -48.48 3 5 1 58 214.289 1 ↓
Mid Mid (pH 6-8) -1.09 -2.25 -6.84 2 5 0 54 213.281 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-3-methylmorpholin-4-yl]-[(2R)-piperazin-2-yl]methanone [(3R)-3-methylmorpholin-4-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) -1.09 -0.87 -48.6 3 5 1 58 214.289 1 ↓
Mid Mid (pH 6-8) -1.09 -2.23 -6.89 2 5 0 54 213.281 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-methylmorpholin-4-yl]-[(2R)-piperazin-2-yl]methanone [(3S)-3-methylmorpholin-4-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) -1.09 -0.91 -49.13 3 5 1 58 214.289 1 ↓
Mid Mid (pH 6-8) -1.09 -2.26 -6.9 2 5 0 54 213.281 1 ↓

Analogs

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Popular Name: [(2R,5R)-2,5-dimethylmorpholin-4-yl]-[(2S)-piperazin-2-yl]methanone [(2R,5R)-2,5-dimethylmorpholin-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) -0.73 0.05 -49.53 3 5 1 58 228.316 1 ↓
Mid Mid (pH 6-8) -0.73 -1.31 -7.3 2 5 0 54 227.308 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,5R)-2,5-dimethylmorpholin-4-yl]-[(2S)-piperazin-2-yl]methanone [(2S,5R)-2,5-dimethylmorpholin-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) -0.73 -0.12 -48.97 3 5 1 58 228.316 1 ↓
Mid Mid (pH 6-8) -0.73 -1.47 -6.56 2 5 0 54 227.308 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,5S)-2,5-dimethylmorpholin-4-yl]-[(2S)-piperazin-2-yl]methanone [(2R,5S)-2,5-dimethylmorpholin-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) -0.73 -0.07 -48.47 3 5 1 58 228.316 1 ↓
Mid Mid (pH 6-8) -0.73 -1.42 -6.52 2 5 0 54 227.308 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,5S)-2,5-dimethylmorpholin-4-yl]-[(2S)-piperazin-2-yl]methanone [(2S,5S)-2,5-dimethylmorpholin-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) -0.73 0.04 -49.94 3 5 1 58 228.316 1 ↓
Mid Mid (pH 6-8) -0.73 -1.33 -7.36 2 5 0 54 227.308 1 ↓

Analogs

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Popular Name: [(2R)-2-ethylmorpholin-4-yl]-[(2S)-piperazin-2-yl]methanone [(2R)-2-ethylmorpholin-4-yl]-[(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) -0.56 0.08 -49.74 3 5 1 58 228.316 2 ↓
Mid Mid (pH 6-8) -0.56 -1.28 -7.48 2 5 0 54 227.308 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-2-ethylmorpholin-4-yl]-[(2S)-piperazin-2-yl]methanone [(2S)-2-ethylmorpholin-4-yl]-[(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) -0.56 0.1 -49.58 3 5 1 58 228.316 2 ↓
Mid Mid (pH 6-8) -0.56 -1.27 -7.53 2 5 0 54 227.308 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-2-ethylmorpholin-4-yl]-[(2R)-piperazin-2-yl]methanone [(2R)-2-ethylmorpholin-4-yl]-[(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) -0.56 0.04 -49.91 3 5 1 58 228.316 2 ↓
Mid Mid (pH 6-8) -0.56 -1.32 -7.64 2 5 0 54 227.308 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-2-ethylmorpholin-4-yl]-[(2R)-piperazin-2-yl]methanone [(2S)-2-ethylmorpholin-4-yl]-[(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) -0.56 0.03 -50.13 3 5 1 58 228.316 2 ↓
Mid Mid (pH 6-8) -0.56 -1.34 -7.53 2 5 0 54 227.308 2 ↓

Analogs

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Popular Name: (2,2-dimethylmorpholin-4-yl)-[(2S)-piperazin-2-yl]methanone (2,2-dimethylmorpholin-4-yl)-[(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) -0.61 0.08 -49.32 3 5 1 58 228.316 1 ↓
Mid Mid (pH 6-8) -0.61 -1.28 -7.29 2 5 0 54 227.308 1 ↓

Analogs

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Popular Name: (2,2-dimethylmorpholin-4-yl)-[(2R)-piperazin-2-yl]methanone (2,2-dimethylmorpholin-4-yl)-[(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) -0.61 0.01 -50.34 3 5 1 58 228.316 1 ↓
Mid Mid (pH 6-8) -0.61 -1.35 -7.35 2 5 0 54 227.308 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-3-ethylmorpholin-4-yl]-[(2S)-piperazin-2-yl]methanone [(3R)-3-ethylmorpholin-4-yl]-[(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) -0.56 -0.29 -48.49 3 5 1 58 228.316 2 ↓
Mid Mid (pH 6-8) -0.56 -1.65 -6.77 2 5 0 54 227.308 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-ethylmorpholin-4-yl]-[(2S)-piperazin-2-yl]methanone [(3S)-3-ethylmorpholin-4-yl]-[(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) -0.56 -0.26 -48.45 3 5 1 58 228.316 2 ↓
Mid Mid (pH 6-8) -0.56 -1.61 -6.75 2 5 0 54 227.308 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-3-ethylmorpholin-4-yl]-[(2R)-piperazin-2-yl]methanone [(3R)-3-ethylmorpholin-4-yl]-[(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) -0.56 -0.26 -48.53 3 5 1 58 228.316 2 ↓
Mid Mid (pH 6-8) -0.56 -1.63 -6.8 2 5 0 54 227.308 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-ethylmorpholin-4-yl]-[(2R)-piperazin-2-yl]methanone [(3S)-3-ethylmorpholin-4-yl]-[(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) -0.56 -0.28 -48.96 3 5 1 58 228.316 2 ↓
Mid Mid (pH 6-8) -0.56 -1.64 -6.73 2 5 0 54 227.308 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,5R)-5-ethyl-2-methyl-morpholin-4-yl]-[(2S)-piperazin-2-yl]methanone [(2R,5R)-5-ethyl-2-methyl-morpho…

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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) -0.19 1 -49.36 3 5 1 58 242.343 2 ↓
Mid Mid (pH 6-8) -0.19 -0.34 -7.05 2 5 0 54 241.335 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,5S)-5-ethyl-2-methyl-morpholin-4-yl]-[(2S)-piperazin-2-yl]methanone [(2R,5S)-5-ethyl-2-methyl-morpho…

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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) -0.19 0.47 -48.68 3 5 1 58 242.343 2 ↓
Mid Mid (pH 6-8) -0.19 -0.86 -6.45 2 5 0 54 241.335 2 ↓

Analogs

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Popular Name: [(2S,5R)-5-ethyl-2-methyl-morpholin-4-yl]-[(2S)-piperazin-2-yl]methanone [(2S,5R)-5-ethyl-2-methyl-morpho…

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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) -0.19 0.46 -48.85 3 5 1 58 242.343 2 ↓
Mid Mid (pH 6-8) -0.19 -0.9 -6.42 2 5 0 54 241.335 2 ↓

Analogs

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Popular Name: [(2S,5S)-5-ethyl-2-methyl-morpholin-4-yl]-[(2S)-piperazin-2-yl]methanone [(2S,5S)-5-ethyl-2-methyl-morpho…

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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) -0.19 1 -49.47 3 5 1 58 242.343 2 ↓
Mid Mid (pH 6-8) -0.19 -0.36 -6.95 2 5 0 54 241.335 2 ↓

Analogs

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Popular Name: (3,3-dimethylmorpholin-4-yl)-[(2S)-piperazin-2-yl]methanone (3,3-dimethylmorpholin-4-yl)-[(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) -0.61 -0.22 -48.2 3 5 1 58 228.316 1 ↓
Mid Mid (pH 6-8) -0.61 -1.57 -6.71 2 5 0 54 227.308 1 ↓

Analogs

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Popular Name: (3,3-dimethylmorpholin-4-yl)-[(2R)-piperazin-2-yl]methanone (3,3-dimethylmorpholin-4-yl)-[(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) -0.61 -0.22 -48.86 3 5 1 58 228.316 1 ↓
Mid Mid (pH 6-8) -0.61 -1.58 -6.69 2 5 0 54 227.308 1 ↓

Analogs

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Popular Name: [(2S)-piperazin-2-yl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone [(2S)-piperazin-2-yl]-[(6R)-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) -0.25 0.8 -49.58 3 5 1 58 242.343 1 ↓
Mid Mid (pH 6-8) -0.25 -0.56 -7.07 2 5 0 54 241.335 1 ↓

Analogs

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Popular Name: [(2S)-piperazin-2-yl]-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone [(2S)-piperazin-2-yl]-[(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) -0.25 0.79 -50.19 3 5 1 58 242.343 1 ↓
Mid Mid (pH 6-8) -0.25 -0.58 -7.02 2 5 0 54 241.335 1 ↓

Analogs

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Popular Name: [(2R)-piperazin-2-yl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone [(2R)-piperazin-2-yl]-[(6R)-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) -0.25 0.74 -50.61 3 5 1 58 242.343 1 ↓
Mid Mid (pH 6-8) -0.25 -0.63 -7.01 2 5 0 54 241.335 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-piperazin-2-yl]-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone [(2R)-piperazin-2-yl]-[(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) -0.25 0.75 -49.86 3 5 1 58 242.343 1 ↓
Mid Mid (pH 6-8) -0.25 -0.61 -7.08 2 5 0 54 241.335 1 ↓

Analogs

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Popular Name: [(2S,5R)-5-methylpiperazin-2-yl]-morpholino-methanone [(2S,5R)-5-methylpiperazin-2-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) -0.74 -1.07 -40.13 3 5 1 58 214.289 1 ↓
Mid Mid (pH 6-8) -0.74 -2.22 -7.67 2 5 0 54 213.281 1 ↓

Analogs

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Popular Name: [(2S,5S)-5-methylpiperazin-2-yl]-morpholino-methanone [(2S,5S)-5-methylpiperazin-2-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) -0.74 -0.89 -47.74 3 5 1 58 214.289 1 ↓
Mid Mid (pH 6-8) -0.74 -2.16 -7.61 2 5 0 54 213.281 1 ↓

Analogs

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Popular Name: [(2R,5R)-5-methylpiperazin-2-yl]-morpholino-methanone [(2R,5R)-5-methylpiperazin-2-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) -0.74 -0.83 -47.09 3 5 1 58 214.289 1 ↓
Mid Mid (pH 6-8) -0.74 -2.11 -7.66 2 5 0 54 213.281 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,5S)-5-methylpiperazin-2-yl]-morpholino-methanone [(2R,5S)-5-methylpiperazin-2-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) -0.74 -1.08 -42.97 3 5 1 58 214.289 1 ↓
Mid Mid (pH 6-8) -0.74 -2.36 -7.68 2 5 0 54 213.281 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(2S,5R)-5-methylpiperazin-2-yl]methanone [(2S,6R)-2,6-dimethylmorpholin-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) -0.02 0.45 -40.49 3 5 1 58 242.343 1 ↓
Mid Mid (pH 6-8) -0.02 -0.72 -7.45 2 5 0 54 241.335 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(2S,5S)-5-methylpiperazin-2-yl]methanone [(2S,6R)-2,6-dimethylmorpholin-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) -0.02 0.65 -47.79 3 5 1 58 242.343 1 ↓
Mid Mid (pH 6-8) -0.02 -0.62 -7.29 2 5 0 54 241.335 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(2R,5R)-5-methylpiperazin-2-yl]methanone [(2S,6R)-2,6-dimethylmorpholin-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) -0.02 0.69 -47.56 3 5 1 58 242.343 1 ↓
Mid Mid (pH 6-8) -0.02 -0.59 -7.14 2 5 0 54 241.335 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(2R,5S)-5-methylpiperazin-2-yl]methanone [(2S,6R)-2,6-dimethylmorpholin-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) -0.02 0.47 -42.99 3 5 1 58 242.343 1 ↓
Mid Mid (pH 6-8) -0.02 -0.83 -6.98 2 5 0 54 241.335 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-2-methylmorpholin-4-yl]-[(2S,5R)-5-methylpiperazin-2-yl]methanone [(2R)-2-methylmorpholin-4-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) -0.38 -0.32 -40.2 3 5 1 58 228.316 1 ↓
Mid Mid (pH 6-8) -0.38 -1.48 -7.52 2 5 0 54 227.308 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-2-methylmorpholin-4-yl]-[(2S,5S)-5-methylpiperazin-2-yl]methanone [(2R)-2-methylmorpholin-4-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) -0.38 -0.15 -47.79 3 5 1 58 228.316 1 ↓
Mid Mid (pH 6-8) -0.38 -1.41 -7.46 2 5 0 54 227.308 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-2-methylmorpholin-4-yl]-[(2R,5R)-5-methylpiperazin-2-yl]methanone [(2R)-2-methylmorpholin-4-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) -0.38 -0.08 -47.12 3 5 1 58 228.316 1 ↓
Mid Mid (pH 6-8) -0.38 -1.37 -7.49 2 5 0 54 227.308 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-2-methylmorpholin-4-yl]-[(2R,5S)-5-methylpiperazin-2-yl]methanone [(2R)-2-methylmorpholin-4-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) -0.38 -0.34 -43.06 3 5 1 58 228.316 1 ↓
Mid Mid (pH 6-8) -0.38 -1.62 -7.59 2 5 0 54 227.308 1 ↓

Parameters Provided:

ring.id = 19868
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 = 19868 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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