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Analogs

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Popular Name: 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[[(2S)-tetrahydrofuran-2-yl]methyl]ethanamine 2-[(2S,6R)-2,6-dimethylmorpholin…

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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) 0.72 2.58 -39.17 2 4 1 38 243.371 5 ↓
Hi High (pH 8-9.5) 0.72 1.16 -4.28 1 4 0 34 242.363 5 ↓
Lo Low (pH 4.5-6) 0.72 4.84 -115.65 3 4 2 40 244.379 5 ↓

Analogs

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Popular Name: 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-[[(2S)-tetrahydrofuran-2-yl]methyl]ethanamine 2-[(2S,6S)-2,6-dimethylmorpholin…

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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) 0.72 2.87 -39.14 2 4 1 38 243.371 5 ↓
Hi High (pH 8-9.5) 0.72 1.45 -4.25 1 4 0 34 242.363 5 ↓
Lo Low (pH 4.5-6) 0.72 4.82 -115.05 3 4 2 40 244.379 5 ↓

Analogs

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Popular Name: 2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[[(2S)-tetrahydrofuran-2-yl]methyl]ethanamine 2-[(2R,6R)-2,6-dimethylmorpholin…

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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) 0.72 2.88 -39.19 2 4 1 38 243.371 5 ↓
Hi High (pH 8-9.5) 0.72 1.45 -4.25 1 4 0 34 242.363 5 ↓
Lo Low (pH 4.5-6) 0.72 4.8 -115.03 3 4 2 40 244.379 5 ↓

Analogs

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Popular Name: 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(1S)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]ethanamine 2-[(2S,6R)-2,6-dimethylmorpholin…

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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) 1.40 3.31 -38.39 2 4 1 38 257.398 5 ↓
Hi High (pH 8-9.5) 1.40 2.34 -2.64 1 4 0 34 256.39 5 ↓
Lo Low (pH 4.5-6) 1.40 5.58 -118.09 3 4 2 40 258.406 5 ↓

Analogs

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Popular Name: 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-[(1S)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]ethanamine 2-[(2S,6S)-2,6-dimethylmorpholin…

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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) 1.40 3.6 -38.57 2 4 1 38 257.398 5 ↓
Hi High (pH 8-9.5) 1.40 2.63 -2.32 1 4 0 34 256.39 5 ↓
Lo Low (pH 4.5-6) 1.40 5.53 -117.32 3 4 2 40 258.406 5 ↓

Analogs

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Popular Name: 2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(1S)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]ethanamine 2-[(2R,6R)-2,6-dimethylmorpholin…

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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) 1.40 3.59 -38.51 2 4 1 38 257.398 5 ↓
Hi High (pH 8-9.5) 1.40 2.62 -2.35 1 4 0 34 256.39 5 ↓
Lo Low (pH 4.5-6) 1.40 5.55 -117.27 3 4 2 40 258.406 5 ↓

Analogs

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Popular Name: 2-[(2R)-2-methylmorpholin-4-yl]-N-[[(2S)-tetrahydrofuran-2-yl]methyl]ethanamine 2-[(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) 0.36 1.84 -38.8 2 4 1 38 229.344 5 ↓
Hi High (pH 8-9.5) 0.36 0.41 -4.26 1 4 0 34 228.336 5 ↓
Lo Low (pH 4.5-6) 0.36 4.1 -114.16 3 4 2 40 230.352 5 ↓

Analogs

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Popular Name: 2-[(2S)-2-methylmorpholin-4-yl]-N-[[(2S)-tetrahydrofuran-2-yl]methyl]ethanamine 2-[(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) 0.36 1.84 -38.82 2 4 1 38 229.344 5 ↓
Hi High (pH 8-9.5) 0.36 0.41 -4.41 1 4 0 34 228.336 5 ↓
Lo Low (pH 4.5-6) 0.36 4.1 -114.23 3 4 2 40 230.352 5 ↓

Analogs

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Popular Name: 2-[(2R)-2-methylmorpholin-4-yl]-N-[(1S)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]ethanamine 2-[(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) 1.04 2.56 -38.16 2 4 1 38 243.371 5 ↓
Hi High (pH 8-9.5) 1.04 1.59 -2.56 1 4 0 34 242.363 5 ↓
Lo Low (pH 4.5-6) 1.04 4.83 -116.48 3 4 2 40 244.379 5 ↓

Analogs

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Popular Name: 2-[(2S)-2-methylmorpholin-4-yl]-N-[(1S)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]ethanamine 2-[(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) 1.04 2.55 -38.19 2 4 1 38 243.371 5 ↓
Hi High (pH 8-9.5) 1.04 1.58 -2.62 1 4 0 34 242.363 5 ↓
Lo Low (pH 4.5-6) 1.04 4.83 -116.31 3 4 2 40 244.379 5 ↓

Analogs

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Popular Name: 2-[(3R)-3-methylmorpholin-4-yl]-N-[[(2S)-tetrahydrofuran-2-yl]methyl]ethanamine 2-[(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) 0.33 1.69 -38.76 2 4 1 38 229.344 5 ↓
Hi High (pH 8-9.5) 0.33 0.27 -4.19 1 4 0 34 228.336 5 ↓
Lo Low (pH 4.5-6) 0.33 3.87 -111.18 3 4 2 40 230.352 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3S)-3-methylmorpholin-4-yl]-N-[[(2S)-tetrahydrofuran-2-yl]methyl]ethanamine 2-[(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) 0.33 1.69 -38.77 2 4 1 38 229.344 5 ↓
Hi High (pH 8-9.5) 0.33 0.27 -4.44 1 4 0 34 228.336 5 ↓
Lo Low (pH 4.5-6) 0.33 3.87 -111.12 3 4 2 40 230.352 5 ↓

Analogs

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Popular Name: 2-[(3R)-3-methylmorpholin-4-yl]-N-[(1S)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]ethanamine 2-[(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) 1.01 2.41 -38.03 2 4 1 38 243.371 5 ↓
Hi High (pH 8-9.5) 1.01 1.44 -2.59 1 4 0 34 242.363 5 ↓
Lo Low (pH 4.5-6) 1.01 4.6 -113.14 3 4 2 40 244.379 5 ↓

Analogs

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Popular Name: 2-[(3S)-3-methylmorpholin-4-yl]-N-[(1S)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]ethanamine 2-[(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) 1.01 2.41 -38.02 2 4 1 38 243.371 5 ↓
Hi High (pH 8-9.5) 1.01 1.43 -2.65 1 4 0 34 242.363 5 ↓
Lo Low (pH 4.5-6) 1.01 4.6 -113.28 3 4 2 40 244.379 5 ↓

Analogs

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Popular Name: 2-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-N-[[(2S)-tetrahydrofuran-2-yl]methyl]ethanamine 2-[(2R,5R)-2,5-dimethylmorpholin…

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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) 0.69 2.27 -38.93 2 4 1 38 243.371 5 ↓
Hi High (pH 8-9.5) 0.69 0.85 -4.06 1 4 0 34 242.363 5 ↓
Lo Low (pH 4.5-6) 0.69 4.45 -113.88 3 4 2 40 244.379 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-N-[[(2S)-tetrahydrofuran-2-yl]methyl]ethanamine 2-[(2S,5R)-2,5-dimethylmorpholin…

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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) 0.69 2.44 -39.14 2 4 1 38 243.371 5 ↓
Hi High (pH 8-9.5) 0.69 1 -4.19 1 4 0 34 242.363 5 ↓
Lo Low (pH 4.5-6) 0.69 4.62 -112.6 3 4 2 40 244.379 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-N-[(1S)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]ethanamine 2-[(2R,5R)-2,5-dimethylmorpholin…

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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) 1.37 3 -38.33 2 4 1 38 257.398 5 ↓
Hi High (pH 8-9.5) 1.37 2.02 -2.29 1 4 0 34 256.39 5 ↓
Lo Low (pH 4.5-6) 1.37 5.17 -115.76 3 4 2 40 258.406 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-N-[(1S)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]ethanamine 2-[(2S,5R)-2,5-dimethylmorpholin…

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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) 1.37 3.16 -38.41 2 4 1 38 257.398 5 ↓
Hi High (pH 8-9.5) 1.37 2.19 -2.53 1 4 0 34 256.39 5 ↓
Lo Low (pH 4.5-6) 1.37 5.35 -114.5 3 4 2 40 258.406 5 ↓

Analogs

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Popular Name: 2-[(2R)-2-ethylmorpholin-4-yl]-N-[[(2S)-tetrahydrofuran-2-yl]methyl]ethanamine 2-[(2R)-2-ethylmorpholin-4-yl]-N…

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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) 0.86 2.67 -38.66 2 4 1 38 243.371 6 ↓
Hi High (pH 8-9.5) 0.86 1.25 -4.12 1 4 0 34 242.363 6 ↓
Lo Low (pH 4.5-6) 0.86 4.93 -115.16 3 4 2 40 244.379 6 ↓

Analogs

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Popular Name: 2-[(2S)-2-ethylmorpholin-4-yl]-N-[[(2S)-tetrahydrofuran-2-yl]methyl]ethanamine 2-[(2S)-2-ethylmorpholin-4-yl]-N…

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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) 0.86 2.67 -38.69 2 4 1 38 243.371 6 ↓
Hi High (pH 8-9.5) 0.86 1.25 -4.27 1 4 0 34 242.363 6 ↓
Lo Low (pH 4.5-6) 0.86 4.93 -115.27 3 4 2 40 244.379 6 ↓

Analogs

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Popular Name: 2-[(2R)-2-ethylmorpholin-4-yl]-N-[(1S)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]ethanamine 2-[(2R)-2-ethylmorpholin-4-yl]-N…

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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) 1.54 3.4 -38.08 2 4 1 38 257.398 6 ↓
Hi High (pH 8-9.5) 1.54 2.42 -2.43 1 4 0 34 256.39 6 ↓
Lo Low (pH 4.5-6) 1.54 5.66 -117.52 3 4 2 40 258.406 6 ↓

Analogs

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Popular Name: 2-[(2S)-2-ethylmorpholin-4-yl]-N-[(1S)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]ethanamine 2-[(2S)-2-ethylmorpholin-4-yl]-N…

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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) 1.54 3.39 -38.01 2 4 1 38 257.398 6 ↓
Hi High (pH 8-9.5) 1.54 2.41 -2.51 1 4 0 34 256.39 6 ↓
Lo Low (pH 4.5-6) 1.54 5.66 -117.45 3 4 2 40 258.406 6 ↓

Analogs

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Popular Name: 2-(2,2-dimethylmorpholin-4-yl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]ethanamine 2-(2,2-dimethylmorpholin-4-yl)-N…

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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) 0.81 2.75 -39.07 2 4 1 38 243.371 5 ↓
Hi High (pH 8-9.5) 0.81 1.33 -4.09 1 4 0 34 242.363 5 ↓
Lo Low (pH 4.5-6) 0.81 4.7 -114.92 3 4 2 40 244.379 5 ↓

Analogs

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Popular Name: 2-(2,2-dimethylmorpholin-4-yl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]ethanamine 2-(2,2-dimethylmorpholin-4-yl)-N…

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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) 0.81 2.76 -39.12 2 4 1 38 243.371 5 ↓
Hi High (pH 8-9.5) 0.81 1.42 -3.39 1 4 0 34 242.363 5 ↓
Lo Low (pH 4.5-6) 0.81 4.71 -114.96 3 4 2 40 244.379 5 ↓

Analogs

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Popular Name: (1S)-N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-1-[(2S)-tetrahydrofuran-2-yl]ethanamine (1S)-N-[2-(2,2-dimethylmorpholin…

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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) 1.49 3.48 -38.42 2 4 1 38 257.398 5 ↓
Hi High (pH 8-9.5) 1.49 2.24 -3.78 1 4 0 34 256.39 5 ↓
Lo Low (pH 4.5-6) 1.49 5.42 -117.22 3 4 2 40 258.406 5 ↓

Analogs

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Popular Name: (1R)-N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-1-[(2S)-tetrahydrofuran-2-yl]ethanamine (1R)-N-[2-(2,2-dimethylmorpholin…

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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) 1.49 3.2 -37.45 2 4 1 38 257.398 5 ↓
Hi High (pH 8-9.5) 1.49 2.01 -3.29 1 4 0 34 256.39 5 ↓
Lo Low (pH 4.5-6) 1.49 5.15 -113.98 3 4 2 40 258.406 5 ↓

Analogs

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Popular Name: (1S)-N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-1-[(2R)-tetrahydrofuran-2-yl]ethanamine (1S)-N-[2-(2,2-dimethylmorpholin…

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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) 1.49 3.23 -37.83 2 4 1 38 257.398 5 ↓
Hi High (pH 8-9.5) 1.49 1.99 -3.71 1 4 0 34 256.39 5 ↓
Lo Low (pH 4.5-6) 1.49 5.17 -114.56 3 4 2 40 258.406 5 ↓

Analogs

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Popular Name: (1R)-N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-1-[(2R)-tetrahydrofuran-2-yl]ethanamine (1R)-N-[2-(2,2-dimethylmorpholin…

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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) 1.49 3.46 -37.99 2 4 1 38 257.398 5 ↓
Hi High (pH 8-9.5) 1.49 2.58 -2.6 1 4 0 34 256.39 5 ↓
Lo Low (pH 4.5-6) 1.49 5.41 -116.01 3 4 2 40 258.406 5 ↓

Analogs

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Popular Name: 2-[(3R)-3-ethylmorpholin-4-yl]-N-[[(2S)-tetrahydrofuran-2-yl]methyl]ethanamine 2-[(3R)-3-ethylmorpholin-4-yl]-N…

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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) 0.86 2.33 -38.98 2 4 1 38 243.371 6 ↓
Hi High (pH 8-9.5) 0.86 0.91 -4.04 1 4 0 34 242.363 6 ↓
Lo Low (pH 4.5-6) 0.86 4.48 -113.09 3 4 2 40 244.379 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3S)-3-ethylmorpholin-4-yl]-N-[[(2S)-tetrahydrofuran-2-yl]methyl]ethanamine 2-[(3S)-3-ethylmorpholin-4-yl]-N…

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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) 0.86 2.34 -39.04 2 4 1 38 243.371 6 ↓
Hi High (pH 8-9.5) 0.86 0.92 -4.28 1 4 0 34 242.363 6 ↓
Lo Low (pH 4.5-6) 0.86 4.5 -113.05 3 4 2 40 244.379 6 ↓

Analogs

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Popular Name: 2-[(3R)-3-ethylmorpholin-4-yl]-N-[(1S)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]ethanamine 2-[(3R)-3-ethylmorpholin-4-yl]-N…

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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) 1.54 3.06 -38.37 2 4 1 38 257.398 6 ↓
Hi High (pH 8-9.5) 1.54 2.08 -2.42 1 4 0 34 256.39 6 ↓
Lo Low (pH 4.5-6) 1.54 5.22 -115.09 3 4 2 40 258.406 6 ↓

Analogs

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Popular Name: 2-[(3S)-3-ethylmorpholin-4-yl]-N-[(1S)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]ethanamine 2-[(3S)-3-ethylmorpholin-4-yl]-N…

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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) 1.54 3.08 -38.27 2 4 1 38 257.398 6 ↓
Hi High (pH 8-9.5) 1.54 2.09 -2.48 1 4 0 34 256.39 6 ↓
Lo Low (pH 4.5-6) 1.54 5.23 -115.13 3 4 2 40 258.406 6 ↓

Analogs

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Popular Name: N-[[(2S)-tetrahydrofuran-2-yl]methyl]-2-[(6R)-2,2,6-trimethylmorpholin-4-yl]ethanamine N-[[(2S)-tetrahydrofuran-2-yl]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) 1.17 3.48 -39.4 2 4 1 38 257.398 5 ↓
Hi High (pH 8-9.5) 1.17 2.05 -4.28 1 4 0 34 256.39 5 ↓
Lo Low (pH 4.5-6) 1.17 5.43 -116.37 3 4 2 40 258.406 5 ↓

Analogs

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Popular Name: N-[[(2S)-tetrahydrofuran-2-yl]methyl]-2-[(6S)-2,2,6-trimethylmorpholin-4-yl]ethanamine N-[[(2S)-tetrahydrofuran-2-yl]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) 1.17 3.48 -39.4 2 4 1 38 257.398 5 ↓
Hi High (pH 8-9.5) 1.17 2.05 -4.07 1 4 0 34 256.39 5 ↓
Lo Low (pH 4.5-6) 1.17 5.44 -116.38 3 4 2 40 258.406 5 ↓

Analogs

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Popular Name: N-[(1S)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]-2-[(6R)-2,2,6-trimethylmorpholin-4-yl]ethanamine N-[(1S)-1-[(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) 1.85 4.21 -38.66 2 4 1 38 271.425 5 ↓
Hi High (pH 8-9.5) 1.85 3.23 -2.51 1 4 0 34 270.417 5 ↓
Lo Low (pH 4.5-6) 1.85 6.15 -118.62 3 4 2 40 272.433 5 ↓

Analogs

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Popular Name: N-[(1S)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]-2-[(6S)-2,2,6-trimethylmorpholin-4-yl]ethanamine N-[(1S)-1-[(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) 1.85 4.21 -38.73 2 4 1 38 271.425 5 ↓
Hi High (pH 8-9.5) 1.85 3.24 -2.51 1 4 0 34 270.417 5 ↓
Lo Low (pH 4.5-6) 1.85 6.17 -118.65 3 4 2 40 272.433 5 ↓

Analogs

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Popular Name: 2-[(2R,5R)-5-ethyl-2-methyl-morpholin-4-yl]-N-[[(2S)-tetrahydrofuran-2-yl]methyl]ethanamine 2-[(2R,5R)-5-ethyl-2-methyl-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) 1.23 3.35 -39.39 2 4 1 38 257.398 6 ↓
Hi High (pH 8-9.5) 1.23 1.93 -3.74 1 4 0 34 256.39 6 ↓
Lo Low (pH 4.5-6) 1.23 5.19 -113.84 3 4 2 40 258.406 6 ↓

Analogs

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Popular Name: 2-[(2R,5S)-5-ethyl-2-methyl-morpholin-4-yl]-N-[[(2S)-tetrahydrofuran-2-yl]methyl]ethanamine 2-[(2R,5S)-5-ethyl-2-methyl-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) 1.23 3.09 -39.33 2 4 1 38 257.398 6 ↓
Hi High (pH 8-9.5) 1.23 1.67 -4.24 1 4 0 34 256.39 6 ↓
Lo Low (pH 4.5-6) 1.23 5.26 -114.4 3 4 2 40 258.406 6 ↓

Analogs

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Popular Name: 2-[(2S,5R)-5-ethyl-2-methyl-morpholin-4-yl]-N-[[(2S)-tetrahydrofuran-2-yl]methyl]ethanamine 2-[(2S,5R)-5-ethyl-2-methyl-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) 1.23 3.08 -39.34 2 4 1 38 257.398 6 ↓
Hi High (pH 8-9.5) 1.23 1.65 -4.03 1 4 0 34 256.39 6 ↓
Lo Low (pH 4.5-6) 1.23 5.24 -114.41 3 4 2 40 258.406 6 ↓

Analogs

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Popular Name: 2-[(2S,5S)-5-ethyl-2-methyl-morpholin-4-yl]-N-[[(2S)-tetrahydrofuran-2-yl]methyl]ethanamine 2-[(2S,5S)-5-ethyl-2-methyl-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) 1.23 3.37 -39.36 2 4 1 38 257.398 6 ↓
Hi High (pH 8-9.5) 1.23 1.94 -4.05 1 4 0 34 256.39 6 ↓
Lo Low (pH 4.5-6) 1.23 5.22 -113.78 3 4 2 40 258.406 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R,5R)-5-ethyl-2-methyl-morpholin-4-yl]-N-[(1S)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]ethanamine 2-[(2R,5R)-5-ethyl-2-methyl-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) 1.91 4.09 -38.77 2 4 1 38 271.425 6 ↓
Hi High (pH 8-9.5) 1.91 3.11 -2.2 1 4 0 34 270.417 6 ↓
Lo Low (pH 4.5-6) 1.91 5.93 -115.7 3 4 2 40 272.433 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R,5S)-5-ethyl-2-methyl-morpholin-4-yl]-N-[(1S)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]ethanamine 2-[(2R,5S)-5-ethyl-2-methyl-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) 1.91 3.82 -38.6 2 4 1 38 271.425 6 ↓
Hi High (pH 8-9.5) 1.91 2.83 -2.48 1 4 0 34 270.417 6 ↓
Lo Low (pH 4.5-6) 1.91 5.98 -116.47 3 4 2 40 272.433 6 ↓

Analogs

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Popular Name: 2-[(2S,5R)-5-ethyl-2-methyl-morpholin-4-yl]-N-[(1S)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]ethanamine 2-[(2S,5R)-5-ethyl-2-methyl-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) 1.91 3.81 -38.61 2 4 1 38 271.425 6 ↓
Hi High (pH 8-9.5) 1.91 2.83 -2.37 1 4 0 34 270.417 6 ↓
Lo Low (pH 4.5-6) 1.91 5.97 -116.48 3 4 2 40 272.433 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S,5S)-5-ethyl-2-methyl-morpholin-4-yl]-N-[(1S)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]ethanamine 2-[(2S,5S)-5-ethyl-2-methyl-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) 1.91 4.1 -38.69 2 4 1 38 271.425 6 ↓
Hi High (pH 8-9.5) 1.91 3.11 -2.22 1 4 0 34 270.417 6 ↓
Lo Low (pH 4.5-6) 1.91 5.94 -115.93 3 4 2 40 272.433 6 ↓

Analogs

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Popular Name: 2-(3,3-dimethylmorpholin-4-yl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]ethanamine 2-(3,3-dimethylmorpholin-4-yl)-N…

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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) 0.81 2.07 -38.79 2 4 1 38 243.371 5 ↓
Hi High (pH 8-9.5) 0.81 0.65 -3.98 1 4 0 34 242.363 5 ↓
Lo Low (pH 4.5-6) 0.81 4.17 -110.88 3 4 2 40 244.379 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3,3-dimethylmorpholin-4-yl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]ethanamine 2-(3,3-dimethylmorpholin-4-yl)-N…

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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) 0.81 2.08 -38.94 2 4 1 38 243.371 5 ↓
Hi High (pH 8-9.5) 0.81 0.75 -3.08 1 4 0 34 242.363 5 ↓
Lo Low (pH 4.5-6) 0.81 4.18 -110.87 3 4 2 40 244.379 5 ↓

Analogs

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Popular Name: (1S)-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-1-[(2S)-tetrahydrofuran-2-yl]ethanamine (1S)-N-[2-(3,3-dimethylmorpholin…

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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) 1.49 2.79 -38.16 2 4 1 38 257.398 5 ↓
Hi High (pH 8-9.5) 1.49 1.55 -3.49 1 4 0 34 256.39 5 ↓
Lo Low (pH 4.5-6) 1.49 4.89 -112.71 3 4 2 40 258.406 5 ↓

Analogs

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Popular Name: (1R)-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-1-[(2S)-tetrahydrofuran-2-yl]ethanamine (1R)-N-[2-(3,3-dimethylmorpholin…

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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) 1.49 2.49 -37.25 2 4 1 38 257.398 5 ↓
Hi High (pH 8-9.5) 1.49 1.32 -2.97 1 4 0 34 256.39 5 ↓
Lo Low (pH 4.5-6) 1.49 4.6 -109.79 3 4 2 40 258.406 5 ↓

Analogs

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Popular Name: (1S)-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-1-[(2R)-tetrahydrofuran-2-yl]ethanamine (1S)-N-[2-(3,3-dimethylmorpholin…

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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) 1.49 2.52 -37.57 2 4 1 38 257.398 5 ↓
Hi High (pH 8-9.5) 1.49 1.31 -3.59 1 4 0 34 256.39 5 ↓
Lo Low (pH 4.5-6) 1.49 4.63 -110.28 3 4 2 40 258.406 5 ↓

Analogs

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Popular Name: (1R)-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-1-[(2R)-tetrahydrofuran-2-yl]ethanamine (1R)-N-[2-(3,3-dimethylmorpholin…

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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) 1.49 2.75 -37.69 2 4 1 38 257.398 5 ↓
Hi High (pH 8-9.5) 1.49 1.89 -2.43 1 4 0 34 256.39 5 ↓
Lo Low (pH 4.5-6) 1.49 4.85 -111.5 3 4 2 40 258.406 5 ↓

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

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 = 47504 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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