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Analogs

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Popular Name: 2-(4-amino-1-piperidyl)-1-[(2R)-2-methylmorpholin-4-yl]ethanone 2-(4-amino-1-piperidyl)-1-[(2R)-…

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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 0.39 -47.16 3 5 1 60 242.343 2 ↓
Lo Low (pH 4.5-6) -0.83 2.57 -110.8 4 5 2 62 243.351 2 ↓

Analogs

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Popular Name: 2-(4-amino-1-piperidyl)-1-[(2S)-2-methylmorpholin-4-yl]ethanone 2-(4-amino-1-piperidyl)-1-[(2S)-…

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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 0.39 -47.18 3 5 1 60 242.343 2 ↓
Lo Low (pH 4.5-6) -0.83 2.57 -110.84 4 5 2 62 243.351 2 ↓

Analogs

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Popular Name: tert-butyl tert-butyl

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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) 0.24 3.29 -45.95 3 9 1 101 399.512 8 ↓
Mid Mid (pH 6-8) 0.24 1.13 -14.59 2 9 0 100 398.504 8 ↓

Analogs

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Popular Name: tert-butyl tert-butyl

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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) 0.24 3.29 -45.93 3 9 1 101 399.512 8 ↓
Mid Mid (pH 6-8) 0.24 1.13 -14.55 2 9 0 100 398.504 8 ↓

Analogs

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Popular Name: 4-methyl-1-[(1S)-1-methyl-2-morpholino-2-oxo-ethyl]piperidine-4-carboxylic 4-methyl-1-[(1S)-1-methyl-2-morp…

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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) 0.13 5.74 -61.35 1 6 0 74 284.356 3 ↓
Hi High (pH 8-9.5) 0.13 3.42 -56.36 0 6 -1 73 283.348 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-1-[(1R)-1-methyl-2-morpholino-2-oxo-ethyl]piperidine-4-carboxylic 4-methyl-1-[(1R)-1-methyl-2-morp…

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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) 0.13 5.68 -61.67 1 6 0 74 284.356 3 ↓
Hi High (pH 8-9.5) 0.13 3.53 -56.23 0 6 -1 73 283.348 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-1-[2-[(2R)-2-methylmorpholin-4-yl]-2-oxo-ethyl]piperidine-4-carboxylic 4-methyl-1-[2-[(2R)-2-methylmorp…

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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) 0.17 6.13 -66.5 1 6 0 74 284.356 3 ↓
Hi High (pH 8-9.5) 0.17 3.97 -56.03 0 6 -1 73 283.348 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-1-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxo-ethyl]piperidine-4-carboxylic 4-methyl-1-[2-[(2S)-2-methylmorp…

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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) 0.17 6.13 -66.54 1 6 0 74 284.356 3 ↓
Hi High (pH 8-9.5) 0.17 3.97 -56.03 0 6 -1 73 283.348 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-1-(2-morpholino-2-oxo-ethyl)piperidine-4-carboxylic 4-methyl-1-(2-morpholino-2-oxo-e…

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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) -0.20 5.39 -66.84 1 6 0 74 270.329 3 ↓
Hi High (pH 8-9.5) -0.20 3.23 -56.43 0 6 -1 73 269.321 3 ↓

Analogs

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Popular Name: 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxo-ethyl]-4-methyl-piperidine-4-carboxylic 1-[2-[(2S,6R)-2,6-dimethylmorpho…

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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) 0.53 6.89 -66.7 1 6 0 74 298.383 3 ↓
Hi High (pH 8-9.5) 0.53 4.72 -55.99 0 6 -1 73 297.375 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxo-ethyl]-4-methyl-piperidine-4-carboxylic 1-[2-[(2S,6S)-2,6-dimethylmorpho…

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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) 0.53 7.06 -66.46 1 6 0 74 298.383 3 ↓
Hi High (pH 8-9.5) 0.53 4.88 -55.63 0 6 -1 73 297.375 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxo-ethyl]-4-methyl-piperidine-4-carboxylic 1-[2-[(2R,6R)-2,6-dimethylmorpho…

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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) 0.53 7.05 -66.48 1 6 0 74 298.383 3 ↓
Hi High (pH 8-9.5) 0.53 4.9 -55.83 0 6 -1 73 297.375 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-1-[(1S)-1-methyl-2-morpholino-2-oxo-ethyl]piperidine-4-carboxylic 4-ethyl-1-[(1S)-1-methyl-2-morph…

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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) 0.47 6.29 -40.33 1 6 0 74 298.383 4 ↓
Hi High (pH 8-9.5) 0.47 4.18 -48.11 0 6 -1 73 297.375 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-1-[(1R)-1-methyl-2-morpholino-2-oxo-ethyl]piperidine-4-carboxylic 4-ethyl-1-[(1R)-1-methyl-2-morph…

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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) 0.47 6.21 -60.78 1 6 0 74 298.383 4 ↓
Hi High (pH 8-9.5) 0.47 3.8 -55.63 0 6 -1 73 297.375 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-1-[2-[(2R)-2-methylmorpholin-4-yl]-2-oxo-ethyl]piperidine-4-carboxylic 4-ethyl-1-[2-[(2R)-2-methylmorph…

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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) 0.50 6.69 -45.88 1 6 0 74 298.383 4 ↓
Hi High (pH 8-9.5) 0.50 4.5 -48.7 0 6 -1 73 297.375 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-1-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxo-ethyl]piperidine-4-carboxylic 4-ethyl-1-[2-[(2S)-2-methylmorph…

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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) 0.50 6.71 -45.55 1 6 0 74 298.383 4 ↓
Hi High (pH 8-9.5) 0.50 4.52 -48.54 0 6 -1 73 297.375 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-1-(2-morpholino-2-oxo-ethyl)piperidine-4-carboxylic 4-ethyl-1-(2-morpholino-2-oxo-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) 0.14 5.87 -66.19 1 6 0 74 284.356 4 ↓
Hi High (pH 8-9.5) 0.14 3.71 -55.87 0 6 -1 73 283.348 4 ↓

Analogs

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Popular Name: 1-(2-morpholino-2-oxo-ethyl)-4-propyl-piperidine-4-carboxylic 1-(2-morpholino-2-oxo-ethyl)-4-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) 0.70 6.63 -66.65 1 6 0 74 298.383 5 ↓
Hi High (pH 8-9.5) 0.70 4.47 -56.47 0 6 -1 73 297.375 5 ↓

Analogs

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Popular Name: (3R)-3-methyl-1-[(1S)-1-methyl-2-morpholino-2-oxo-ethyl]piperidine-3-carboxylic (3R)-3-methyl-1-[(1S)-1-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) 0.13 5.94 -57.39 1 6 0 74 284.356 3 ↓
Hi High (pH 8-9.5) 0.13 3.96 -48 0 6 -1 73 283.348 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-1-[(1R)-1-methyl-2-morpholino-2-oxo-ethyl]piperidine-3-carboxylic (3R)-3-methyl-1-[(1R)-1-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) 0.13 5.87 -45.47 1 6 0 74 284.356 3 ↓
Hi High (pH 8-9.5) 0.13 4.1 -48.29 0 6 -1 73 283.348 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-1-[2-[(2R)-2-methylmorpholin-4-yl]-2-oxo-ethyl]piperidine-3-carboxylic (3R)-3-methyl-1-[2-[(2R)-2-methy…

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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) 0.17 6.32 -48.76 1 6 0 74 284.356 3 ↓
Hi High (pH 8-9.5) 0.17 4.53 -47.85 0 6 -1 73 283.348 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-1-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxo-ethyl]piperidine-3-carboxylic (3R)-3-methyl-1-[2-[(2S)-2-methy…

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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) 0.17 6.32 -48.65 1 6 0 74 284.356 3 ↓
Hi High (pH 8-9.5) 0.17 4.53 -47.84 0 6 -1 73 283.348 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-1-(2-morpholino-2-oxo-ethyl)piperidine-3-carboxylic (3S)-3-methyl-1-(2-morpholino-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) -0.20 5.6 -48.7 1 6 0 74 270.329 3 ↓
Hi High (pH 8-9.5) -0.20 3.8 -48.14 0 6 -1 73 269.321 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-1-(2-morpholino-2-oxo-ethyl)piperidine-3-carboxylic (3R)-3-methyl-1-(2-morpholino-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) -0.20 5.56 -48.04 1 6 0 74 270.329 3 ↓
Hi High (pH 8-9.5) -0.20 3.77 -47.86 0 6 -1 73 269.321 3 ↓

Analogs

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Popular Name: (3R)-1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxo-ethyl]-3-methyl-piperidine-3-carboxylic (3R)-1-[2-[(2S,6R)-2,6-dimethylm…

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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) 0.53 7.08 -48.46 1 6 0 74 298.383 3 ↓
Hi High (pH 8-9.5) 0.53 5.29 -47.43 0 6 -1 73 297.375 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxo-ethyl]-3-methyl-piperidine-3-carboxylic (3R)-1-[2-[(2S,6S)-2,6-dimethylm…

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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) 0.53 7.25 -48.28 1 6 0 74 298.383 3 ↓
Hi High (pH 8-9.5) 0.53 5.46 -47.26 0 6 -1 73 297.375 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxo-ethyl]-3-methyl-piperidine-3-carboxylic (3R)-1-[2-[(2R,6R)-2,6-dimethylm…

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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) 0.53 7.24 -48.44 1 6 0 74 298.383 3 ↓
Hi High (pH 8-9.5) 0.53 5.45 -47.5 0 6 -1 73 297.375 3 ↓

Analogs

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Popular Name: (3S)-3-ethyl-1-[(1S)-1-methyl-2-morpholino-2-oxo-ethyl]piperidine-3-carboxylic (3S)-3-ethyl-1-[(1S)-1-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) 0.47 6.43 -44.13 1 6 0 74 298.383 4 ↓
Hi High (pH 8-9.5) 0.47 4.71 -47.53 0 6 -1 73 297.375 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-1-[(1S)-1-methyl-2-morpholino-2-oxo-ethyl]piperidine-3-carboxylic (3R)-3-ethyl-1-[(1S)-1-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) 0.47 6.36 -55.27 1 6 0 74 298.383 4 ↓
Hi High (pH 8-9.5) 0.47 4.43 -46.91 0 6 -1 73 297.375 4 ↓

Analogs

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Popular Name: (3S)-3-ethyl-1-[2-[(2R)-2-methylmorpholin-4-yl]-2-oxo-ethyl]piperidine-3-carboxylic (3S)-3-ethyl-1-[2-[(2R)-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) 0.50 6.81 -47.61 1 6 0 74 298.383 4 ↓
Hi High (pH 8-9.5) 0.50 5.03 -47 0 6 -1 73 297.375 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-1-[2-[(2R)-2-methylmorpholin-4-yl]-2-oxo-ethyl]piperidine-3-carboxylic (3R)-3-ethyl-1-[2-[(2R)-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) 0.50 6.75 -46.59 1 6 0 74 298.383 4 ↓
Hi High (pH 8-9.5) 0.50 4.98 -46.5 0 6 -1 73 297.375 4 ↓

Analogs

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Popular Name: (3S)-3-ethyl-1-(2-morpholino-2-oxo-ethyl)piperidine-3-carboxylic (3S)-3-ethyl-1-(2-morpholino-2-o…

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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) 0.14 6.12 -45.91 1 6 0 74 284.356 4 ↓
Hi High (pH 8-9.5) 0.14 4.61 -54.91 0 6 -1 73 283.348 4 ↓

Analogs

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Popular Name: (3R)-3-ethyl-1-(2-morpholino-2-oxo-ethyl)piperidine-3-carboxylic (3R)-3-ethyl-1-(2-morpholino-2-o…

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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) 0.14 6.18 -46.23 1 6 0 74 284.356 4 ↓
Hi High (pH 8-9.5) 0.14 4.6 -56.36 0 6 -1 73 283.348 4 ↓

Analogs

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Popular Name: (3S)-1-(2-morpholino-2-oxo-ethyl)-3-propyl-piperidine-3-carboxylic (3S)-1-(2-morpholino-2-oxo-ethyl…

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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 6.83 -47.66 1 6 0 74 298.383 5 ↓
Hi High (pH 8-9.5) 0.70 5.05 -47.64 0 6 -1 73 297.375 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(2-morpholino-2-oxo-ethyl)-3-propyl-piperidine-3-carboxylic (3R)-1-(2-morpholino-2-oxo-ethyl…

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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 6.95 -46.14 1 6 0 74 298.383 5 ↓
Hi High (pH 8-9.5) 0.70 5.37 -56.83 0 6 -1 73 297.375 5 ↓

Analogs

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Popular Name: (2S)-2-[(3S)-3-(hydroxymethyl)-1-piperidyl]-1-morpholino-propan-1-one (2S)-2-[(3S)-3-(hydroxymethyl)-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) 0.01 2.19 -39.03 2 5 1 54 257.354 3 ↓
Hi High (pH 8-9.5) 0.01 0.1 -11.09 1 5 0 53 256.346 3 ↓

Analogs

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Popular Name: (2R)-2-[(3S)-3-(hydroxymethyl)-1-piperidyl]-1-morpholino-propan-1-one (2R)-2-[(3S)-3-(hydroxymethyl)-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) 0.01 2.18 -38.97 2 5 1 54 257.354 3 ↓
Hi High (pH 8-9.5) 0.01 -0.23 -10.44 1 5 0 53 256.346 3 ↓

Analogs

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Popular Name: methyl 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) 0.50 5.56 -44.72 1 6 1 60 285.364 4 ↓
Mid Mid (pH 6-8) 0.50 3.23 -13.21 0 6 0 59 284.356 4 ↓

Analogs

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Popular Name: methyl 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) 0.50 5.54 -44.87 1 6 1 60 285.364 4 ↓
Mid Mid (pH 6-8) 0.50 3.1 -12.87 0 6 0 59 284.356 4 ↓

Analogs

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Popular Name: N-[[(2R)-1-[2-[(2R)-2-methylmorpholin-4-yl]-2-oxo-ethyl]-2-piperidyl]methyl]methanesulfonamide N-[[(2R)-1-[2-[(2R)-2-methylmorp…

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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) -0.04 2.3 -55.16 2 7 1 80 334.462 5 ↓
Hi High (pH 8-9.5) -0.04 0.58 -18.88 1 7 0 79 333.454 5 ↓

Analogs

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Popular Name: N-[[(2R)-1-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxo-ethyl]-2-piperidyl]methyl]methanesulfonamide N-[[(2R)-1-[2-[(2S)-2-methylmorp…

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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) -0.04 2.3 -55.2 2 7 1 80 334.462 5 ↓
Hi High (pH 8-9.5) -0.04 0.58 -18.99 1 7 0 79 333.454 5 ↓

Analogs

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Popular Name: (2S)-2-[4-(2-aminoethyl)-1-piperidyl]-1-morpholino-propan-1-one (2S)-2-[4-(2-aminoethyl)-1-piper…

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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) -0.10 3.55 -95.76 4 5 2 62 271.405 4 ↓
Hi High (pH 8-9.5) -0.10 1.21 -49.4 3 5 1 60 270.397 4 ↓

Analogs

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Popular Name: (2R)-2-[4-(2-aminoethyl)-1-piperidyl]-1-morpholino-propan-1-one (2R)-2-[4-(2-aminoethyl)-1-piper…

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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) -0.10 3.49 -97.94 4 5 2 62 271.405 4 ↓
Hi High (pH 8-9.5) -0.10 1.35 -50.23 3 5 1 60 270.397 4 ↓

Analogs

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Popular Name: 2-[4-(2-aminoethyl)-1-piperidyl]-1-morpholino-ethanone 2-[4-(2-aminoethyl)-1-piperidyl]…

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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) -0.43 3.2 -97.76 4 5 2 62 257.378 4 ↓
Hi High (pH 8-9.5) -0.43 1.03 -47.93 3 5 1 60 256.37 4 ↓

Analogs

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Popular Name: 2-[4-(2-aminoethyl)-1-piperidyl]-1-[(2R)-2-methylmorpholin-4-yl]ethanone 2-[4-(2-aminoethyl)-1-piperidyl]…

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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 3.94 -100.31 4 5 2 62 271.405 4 ↓
Hi High (pH 8-9.5) -0.07 1.77 -49.68 3 5 1 60 270.397 4 ↓

Analogs

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Popular Name: 2-[4-(2-aminoethyl)-1-piperidyl]-1-[(2S)-2-methylmorpholin-4-yl]ethanone 2-[4-(2-aminoethyl)-1-piperidyl]…

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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 3.94 -100.31 4 5 2 62 271.405 4 ↓
Hi High (pH 8-9.5) -0.07 1.77 -49.67 3 5 1 60 270.397 4 ↓

Analogs

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Popular Name: (2S)-2-[4-[2-(methylamino)ethyl]-1-piperidyl]-1-morpholino-propan-1-one (2S)-2-[4-[2-(methylamino)ethyl]…

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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) 0.88 5.42 -91.89 3 5 2 51 285.432 5 ↓
Hi High (pH 8-9.5) 0.88 3.09 -44.69 2 5 1 49 284.424 5 ↓

Analogs

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Popular Name: (2R)-2-[4-[2-(methylamino)ethyl]-1-piperidyl]-1-morpholino-propan-1-one (2R)-2-[4-[2-(methylamino)ethyl]…

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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) 0.88 5.37 -93.97 3 5 2 51 285.432 5 ↓
Hi High (pH 8-9.5) 0.88 3.23 -45.46 2 5 1 49 284.424 5 ↓

Analogs

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Popular Name: 2-[4-[2-(methylamino)ethyl]-1-piperidyl]-1-morpholino-ethanone 2-[4-[2-(methylamino)ethyl]-1-pi…

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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) 0.55 5.08 -96.04 3 5 2 51 271.405 5 ↓
Hi High (pH 8-9.5) 0.55 2.91 -45 2 5 1 49 270.397 5 ↓

Analogs

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Popular Name: 2-[4-[2-(methylamino)ethyl]-1-piperidyl]-1-[(2R)-2-methylmorpholin-4-yl]ethanone 2-[4-[2-(methylamino)ethyl]-1-pi…

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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) 0.91 5.82 -96.3 3 5 2 51 285.432 5 ↓
Hi High (pH 8-9.5) 0.91 3.65 -44.89 2 5 1 49 284.424 5 ↓

Parameters Provided:

ring.id = 34096
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 = 34096 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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