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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,3R)-3-(2,5-dimethyl-3-thienyl)-4-methyl-morpholin-2-yl]methanamine [(2S,3R)-3-(2,5-dimethyl-3-thien…

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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) 0.59 2.59 -39.87 3 3 1 40 241.38 2 ↓
Hi High (pH 8-9.5) 0.59 2.22 -3.11 2 3 0 38 240.372 2 ↓
Lo Low (pH 4.5-6) 0.59 4.21 -104.48 4 3 2 41 242.388 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,3S)-3-(2,5-dimethyl-3-thienyl)-4-methyl-morpholin-2-yl]methanamine [(2S,3S)-3-(2,5-dimethyl-3-thien…

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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) 0.59 3.68 -39.44 3 3 1 40 241.38 2 ↓
Hi High (pH 8-9.5) 0.59 3.31 -3.06 2 3 0 38 240.372 2 ↓
Lo Low (pH 4.5-6) 0.59 4.1 -99.35 4 3 2 41 242.388 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,3R)-3-(2,5-dimethyl-3-thienyl)-4-methyl-morpholin-2-yl]methanamine [(2R,3R)-3-(2,5-dimethyl-3-thien…

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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) 0.59 3.13 -39.39 3 3 1 40 241.38 2 ↓
Hi High (pH 8-9.5) 0.59 2.67 -3.56 2 3 0 38 240.372 2 ↓
Lo Low (pH 4.5-6) 0.59 4.14 -99.92 4 3 2 41 242.388 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,3S)-3-(2,5-dimethyl-3-thienyl)-4-methyl-morpholin-2-yl]methanamine [(2R,3S)-3-(2,5-dimethyl-3-thien…

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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) 0.59 2.49 -39.93 3 3 1 40 241.38 2 ↓
Hi High (pH 8-9.5) 0.59 2.03 -3.22 2 3 0 38 240.372 2 ↓
Lo Low (pH 4.5-6) 0.59 4.15 -104.42 4 3 2 41 242.388 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,3S)-4-methyl-3-(3-thienyl)morpholin-2-yl]methanamine [(2R,3S)-4-methyl-3-(3-thienyl)m…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.15 0.79 -40.44 3 3 1 40 213.326 2 ↓
Hi High (pH 8-9.5) 0.15 0.34 -2.91 2 3 0 38 212.318 2 ↓
Lo Low (pH 4.5-6) 0.15 2.66 -105.24 4 3 2 41 214.334 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,3S)-4-methyl-3-(3-thienyl)morpholin-2-yl]methanamine [(2S,3S)-4-methyl-3-(3-thienyl)m…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.15 0.71 -39.27 3 3 1 40 213.326 2 ↓
Hi High (pH 8-9.5) 0.15 0.32 -2.86 2 3 0 38 212.318 2 ↓
Lo Low (pH 4.5-6) 0.15 2.85 -99.15 4 3 2 41 214.334 2 ↓

Analogs

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Popular Name: N-methyl-1-[(2R,3S)-4-methyl-3-(3-thienyl)morpholin-2-yl]methanamine N-methyl-1-[(2R,3S)-4-methyl-3-(…

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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) 1.13 2.67 -35.5 2 3 1 29 227.353 3 ↓
Hi High (pH 8-9.5) 1.13 1.16 -2.62 1 3 0 24 226.345 3 ↓
Lo Low (pH 4.5-6) 1.13 4.54 -100.24 3 3 2 30 228.361 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[(2S,3S)-4-methyl-3-(3-thienyl)morpholin-2-yl]methanamine N-methyl-1-[(2S,3S)-4-methyl-3-(…

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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) 1.13 2.56 -34.46 2 3 1 29 227.353 3 ↓
Hi High (pH 8-9.5) 1.13 1.13 -2.58 1 3 0 24 226.345 3 ↓
Lo Low (pH 4.5-6) 1.13 4.72 -94.65 3 3 2 30 228.361 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[(2R,3R)-4-methyl-3-(3-thienyl)morpholin-2-yl]methanamine N-methyl-1-[(2R,3R)-4-methyl-3-(…

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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) 1.13 2.51 -34.56 2 3 1 29 227.353 3 ↓
Hi High (pH 8-9.5) 1.13 1.01 -3.08 1 3 0 24 226.345 3 ↓
Lo Low (pH 4.5-6) 1.13 4.66 -94.72 3 3 2 30 228.361 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[(2S,3R)-4-methyl-3-(3-thienyl)morpholin-2-yl]methanamine N-methyl-1-[(2S,3R)-4-methyl-3-(…

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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) 1.13 2.78 -35.56 2 3 1 29 227.353 3 ↓
Hi High (pH 8-9.5) 1.13 1.33 -2.43 1 3 0 24 226.345 3 ↓
Lo Low (pH 4.5-6) 1.13 4.6 -100.52 3 3 2 30 228.361 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R,3S)-4-methyl-3-(3-thienyl)morpholin-2-yl]methyl]ethanamine N-[[(2R,3S)-4-methyl-3-(3-thieny…

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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) 1.16 3.53 -34.36 2 3 1 29 241.38 4 ↓
Hi High (pH 8-9.5) 1.16 2.09 -2.43 1 3 0 24 240.372 4 ↓
Lo Low (pH 4.5-6) 1.16 5.4 -100.73 3 3 2 30 242.388 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S,3S)-4-methyl-3-(3-thienyl)morpholin-2-yl]methyl]ethanamine N-[[(2S,3S)-4-methyl-3-(3-thieny…

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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) 1.16 3.41 -33.41 2 3 1 29 241.38 4 ↓
Hi High (pH 8-9.5) 1.16 2.07 -2.43 1 3 0 24 240.372 4 ↓
Lo Low (pH 4.5-6) 1.16 5.57 -94.79 3 3 2 30 242.388 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R,3R)-4-methyl-3-(3-thienyl)morpholin-2-yl]methyl]ethanamine N-[[(2R,3R)-4-methyl-3-(3-thieny…

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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) 1.16 3.37 -33.43 2 3 1 29 241.38 4 ↓
Hi High (pH 8-9.5) 1.16 1.94 -2.9 1 3 0 24 240.372 4 ↓
Lo Low (pH 4.5-6) 1.16 5.52 -94.8 3 3 2 30 242.388 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S,3R)-4-methyl-3-(3-thienyl)morpholin-2-yl]methyl]ethanamine N-[[(2S,3R)-4-methyl-3-(3-thieny…

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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) 1.16 3.62 -34.38 2 3 1 29 241.38 4 ↓
Hi High (pH 8-9.5) 1.16 2.27 -2.21 1 3 0 24 240.372 4 ↓
Lo Low (pH 4.5-6) 1.16 5.45 -100.96 3 3 2 30 242.388 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,3S)-4-ethyl-3-(3-thienyl)morpholin-2-yl]methanamine [(2R,3S)-4-ethyl-3-(3-thienyl)mo…

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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 1.54 -40.53 3 3 1 40 227.353 3 ↓
Hi High (pH 8-9.5) 0.53 1.08 -2.66 2 3 0 38 226.345 3 ↓
Lo Low (pH 4.5-6) 0.53 3.31 -104.08 4 3 2 41 228.361 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,3S)-4-ethyl-3-(3-thienyl)morpholin-2-yl]methanamine [(2S,3S)-4-ethyl-3-(3-thienyl)mo…

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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 1.47 -39.2 3 3 1 40 227.353 3 ↓
Hi High (pH 8-9.5) 0.53 1.09 -2.63 2 3 0 38 226.345 3 ↓
Lo Low (pH 4.5-6) 0.53 3.5 -98.38 4 3 2 41 228.361 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R,3S)-4-ethyl-3-(3-thienyl)morpholin-2-yl]-N-methyl-methanamine 1-[(2R,3S)-4-ethyl-3-(3-thienyl)…

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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) 1.51 3.42 -35.6 2 3 1 29 241.38 4 ↓
Hi High (pH 8-9.5) 1.51 1.98 -2.22 1 3 0 24 240.372 4 ↓
Lo Low (pH 4.5-6) 1.51 5.2 -98.96 3 3 2 30 242.388 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S,3S)-4-ethyl-3-(3-thienyl)morpholin-2-yl]-N-methyl-methanamine 1-[(2S,3S)-4-ethyl-3-(3-thienyl)…

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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) 1.51 3.34 -34.35 2 3 1 29 241.38 4 ↓
Hi High (pH 8-9.5) 1.51 1.85 -2.87 1 3 0 24 240.372 4 ↓
Lo Low (pH 4.5-6) 1.51 5.37 -93.83 3 3 2 30 242.388 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,3S)-4-propyl-3-(3-thienyl)morpholin-2-yl]methanamine [(2R,3S)-4-propyl-3-(3-thienyl)m…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.03 2.29 -40.67 3 3 1 40 241.38 4 ↓
Hi High (pH 8-9.5) 1.03 1.92 -2.41 2 3 0 38 240.372 4 ↓
Lo Low (pH 4.5-6) 1.03 4.04 -105.64 4 3 2 41 242.388 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,3S)-4-propyl-3-(3-thienyl)morpholin-2-yl]methanamine [(2S,3S)-4-propyl-3-(3-thienyl)m…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.03 2.22 -39.25 3 3 1 40 241.38 4 ↓
Hi High (pH 8-9.5) 1.03 1.75 -3.07 2 3 0 38 240.372 4 ↓
Lo Low (pH 4.5-6) 1.03 4.22 -99.78 4 3 2 41 242.388 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,3S)-4-isopropyl-3-(3-thienyl)morpholin-2-yl]methanamine [(2R,3S)-4-isopropyl-3-(3-thieny…

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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) 0.82 1.95 -39.94 3 3 1 40 241.38 3 ↓
Hi High (pH 8-9.5) 0.82 1.57 -2.25 2 3 0 38 240.372 3 ↓
Lo Low (pH 4.5-6) 0.82 3.61 -103.38 4 3 2 41 242.388 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,3S)-4-isopropyl-3-(3-thienyl)morpholin-2-yl]methanamine [(2S,3S)-4-isopropyl-3-(3-thieny…

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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) 0.82 1.78 -38.92 3 3 1 40 241.38 3 ↓
Hi High (pH 8-9.5) 0.82 1.32 -2.95 2 3 0 38 240.372 3 ↓
Lo Low (pH 4.5-6) 0.82 3.77 -97.59 4 3 2 41 242.388 3 ↓

Analogs

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Popular Name: N-[[(2S,3R)-3-(2,5-dimethyl-3-thienyl)-4-methyl-morpholin-2-yl]methyl]propan-2-amine N-[[(2S,3R)-3-(2,5-dimethyl-3-th…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.25 5.84 -32.51 2 3 1 29 283.461 4 ↓
Hi High (pH 8-9.5) 2.25 4.61 -2.64 1 3 0 24 282.453 4 ↓
Lo Low (pH 4.5-6) 2.25 7.47 -98.91 3 3 2 30 284.469 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S,3S)-3-(2,5-dimethyl-3-thienyl)-4-methyl-morpholin-2-yl]methyl]propan-2-amine N-[[(2S,3S)-3-(2,5-dimethyl-3-th…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.25 6.92 -32.17 2 3 1 29 283.461 4 ↓
Hi High (pH 8-9.5) 2.25 5.57 -2.97 1 3 0 24 282.453 4 ↓
Lo Low (pH 4.5-6) 2.25 7.34 -93.63 3 3 2 30 284.469 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R,3R)-3-(2,5-dimethyl-3-thienyl)-4-methyl-morpholin-2-yl]methyl]propan-2-amine N-[[(2R,3R)-3-(2,5-dimethyl-3-th…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.25 6.38 -32.02 2 3 1 29 283.461 4 ↓
Hi High (pH 8-9.5) 2.25 5.19 -2.52 1 3 0 24 282.453 4 ↓
Lo Low (pH 4.5-6) 2.25 7.41 -94.38 3 3 2 30 284.469 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R,3S)-3-(2,5-dimethyl-3-thienyl)-4-methyl-morpholin-2-yl]methyl]propan-2-amine N-[[(2R,3S)-3-(2,5-dimethyl-3-th…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.25 5.75 -32.56 2 3 1 29 283.461 4 ↓
Hi High (pH 8-9.5) 2.25 4.56 -2.51 1 3 0 24 282.453 4 ↓
Lo Low (pH 4.5-6) 2.25 7.41 -98.42 3 3 2 30 284.469 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R,3S)-4-methyl-3-(3-thienyl)morpholin-2-yl]methyl]propan-2-amine N-[[(2R,3S)-4-methyl-3-(3-thieny…

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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) 1.80 4.05 -32.96 2 3 1 29 255.407 4 ↓
Hi High (pH 8-9.5) 1.80 2.78 -2.27 1 3 0 24 254.399 4 ↓
Lo Low (pH 4.5-6) 1.80 5.92 -99.35 3 3 2 30 256.415 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S,3S)-4-methyl-3-(3-thienyl)morpholin-2-yl]methyl]propan-2-amine N-[[(2S,3S)-4-methyl-3-(3-thieny…

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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) 1.80 3.95 -32.13 2 3 1 29 255.407 4 ↓
Hi High (pH 8-9.5) 1.80 2.76 -2.36 1 3 0 24 254.399 4 ↓
Lo Low (pH 4.5-6) 1.80 6.11 -93.92 3 3 2 30 256.415 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R,3R)-4-methyl-3-(3-thienyl)morpholin-2-yl]methyl]propan-2-amine N-[[(2R,3R)-4-methyl-3-(3-thieny…

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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) 1.80 3.9 -32.06 2 3 1 29 255.407 4 ↓
Hi High (pH 8-9.5) 1.80 2.61 -2.85 1 3 0 24 254.399 4 ↓
Lo Low (pH 4.5-6) 1.80 6.06 -94.13 3 3 2 30 256.415 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S,3R)-4-methyl-3-(3-thienyl)morpholin-2-yl]methyl]propan-2-amine N-[[(2S,3R)-4-methyl-3-(3-thieny…

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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) 1.80 4.14 -32.93 2 3 1 29 255.407 4 ↓
Hi High (pH 8-9.5) 1.80 2.96 -2.16 1 3 0 24 254.399 4 ↓
Lo Low (pH 4.5-6) 1.80 5.96 -99.95 3 3 2 30 256.415 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,3S)-3-(2,5-dimethyl-3-thienyl)-4-ethyl-morpholin-2-yl]methanamine [(2R,3S)-3-(2,5-dimethyl-3-thien…

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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) 0.97 3.23 -39.92 3 3 1 40 255.407 3 ↓
Hi High (pH 8-9.5) 0.97 2.78 -3.08 2 3 0 38 254.399 3 ↓
Lo Low (pH 4.5-6) 0.97 4.76 -103.09 4 3 2 41 256.415 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,3S)-3-(2,5-dimethyl-3-thienyl)-4-ethyl-morpholin-2-yl]methanamine [(2S,3S)-3-(2,5-dimethyl-3-thien…

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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) 0.97 4.29 -39.32 3 3 1 40 255.407 3 ↓
Hi High (pH 8-9.5) 0.97 3.92 -2.92 2 3 0 38 254.399 3 ↓
Lo Low (pH 4.5-6) 0.97 4.73 -98.5 4 3 2 41 256.415 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R,3S)-3-(2,5-dimethyl-3-thienyl)-4-ethyl-morpholin-2-yl]-N-methyl-methanamine 1-[(2R,3S)-3-(2,5-dimethyl-3-thi…

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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) 1.95 5.12 -35.1 2 3 1 29 269.434 4 ↓
Hi High (pH 8-9.5) 1.95 3.68 -2.66 1 3 0 24 268.426 4 ↓
Lo Low (pH 4.5-6) 1.95 6.66 -98.09 3 3 2 30 270.442 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S,3S)-3-(2,5-dimethyl-3-thienyl)-4-ethyl-morpholin-2-yl]-N-methyl-methanamine 1-[(2S,3S)-3-(2,5-dimethyl-3-thi…

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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) 1.95 6.17 -34.55 2 3 1 29 269.434 4 ↓
Hi High (pH 8-9.5) 1.95 4.76 -3.21 1 3 0 24 268.426 4 ↓
Lo Low (pH 4.5-6) 1.95 6.61 -93.75 3 3 2 30 270.442 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,3S)-3-(2,5-dimethyl-3-thienyl)-4-propyl-morpholin-2-yl]methanamine [(2R,3S)-3-(2,5-dimethyl-3-thien…

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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) 1.47 3.98 -40.08 3 3 1 40 269.434 4 ↓
Hi High (pH 8-9.5) 1.47 3.61 -2.76 2 3 0 38 268.426 4 ↓
Lo Low (pH 4.5-6) 1.47 5.52 -104.57 4 3 2 41 270.442 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,3S)-3-(2,5-dimethyl-3-thienyl)-4-propyl-morpholin-2-yl]methanamine [(2S,3S)-3-(2,5-dimethyl-3-thien…

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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) 1.47 5.04 -39.41 3 3 1 40 269.434 4 ↓
Hi High (pH 8-9.5) 1.47 4.66 -3.3 2 3 0 38 268.426 4 ↓
Lo Low (pH 4.5-6) 1.47 5.48 -99.87 4 3 2 41 270.442 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R,3S)-3-(2,5-dimethyl-3-thienyl)-4-propyl-morpholin-2-yl]-N-methyl-methanamine 1-[(2R,3S)-3-(2,5-dimethyl-3-thi…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.45 5.87 -35.27 2 3 1 29 283.461 5 ↓
Hi High (pH 8-9.5) 2.45 4.44 -2.58 1 3 0 24 282.453 5 ↓
Lo Low (pH 4.5-6) 2.45 7.39 -99.47 3 3 2 30 284.469 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S,3S)-3-(2,5-dimethyl-3-thienyl)-4-propyl-morpholin-2-yl]-N-methyl-methanamine 1-[(2S,3S)-3-(2,5-dimethyl-3-thi…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.45 6.91 -34.62 2 3 1 29 283.461 5 ↓
Hi High (pH 8-9.5) 2.45 5.51 -3.12 1 3 0 24 282.453 5 ↓
Lo Low (pH 4.5-6) 2.45 7.35 -95.01 3 3 2 30 284.469 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[(2R,3S)-4-propyl-3-(3-thienyl)morpholin-2-yl]methanamine N-methyl-1-[(2R,3S)-4-propyl-3-(…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.01 4.18 -35.77 2 3 1 29 255.407 5 ↓
Hi High (pH 8-9.5) 2.01 2.74 -2.12 1 3 0 24 254.399 5 ↓
Lo Low (pH 4.5-6) 2.01 5.92 -100.48 3 3 2 30 256.415 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[(2S,3S)-4-propyl-3-(3-thienyl)morpholin-2-yl]methanamine N-methyl-1-[(2S,3S)-4-propyl-3-(…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.01 4.09 -34.39 2 3 1 29 255.407 5 ↓
Hi High (pH 8-9.5) 2.01 2.6 -2.79 1 3 0 24 254.399 5 ↓
Lo Low (pH 4.5-6) 2.01 6.1 -95.24 3 3 2 30 256.415 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,3R)-3-(2,5-dimethyl-3-thienyl)-4-isopropyl-morpholin-2-yl]methanamine [(2S,3R)-3-(2,5-dimethyl-3-thien…

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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) 1.27 3.65 -39.72 3 3 1 40 269.434 3 ↓
Hi High (pH 8-9.5) 1.27 3.18 -2.86 2 3 0 38 268.426 3 ↓
Lo Low (pH 4.5-6) 1.27 5.13 -102.69 4 3 2 41 270.442 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,3S)-3-(2,5-dimethyl-3-thienyl)-4-isopropyl-morpholin-2-yl]methanamine [(2S,3S)-3-(2,5-dimethyl-3-thien…

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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) 1.27 4.73 -39.26 3 3 1 40 269.434 3 ↓
Hi High (pH 8-9.5) 1.27 4.25 -3.21 2 3 0 38 268.426 3 ↓
Lo Low (pH 4.5-6) 1.27 5.03 -97.53 4 3 2 41 270.442 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,3R)-3-(2,5-dimethyl-3-thienyl)-4-isopropyl-morpholin-2-yl]methanamine [(2R,3R)-3-(2,5-dimethyl-3-thien…

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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) 1.27 4.16 -39.25 3 3 1 40 269.434 3 ↓
Hi High (pH 8-9.5) 1.27 3.77 -2.68 2 3 0 38 268.426 3 ↓
Lo Low (pH 4.5-6) 1.27 5.35 -96.24 4 3 2 41 270.442 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,3S)-3-(2,5-dimethyl-3-thienyl)-4-isopropyl-morpholin-2-yl]methanamine [(2R,3S)-3-(2,5-dimethyl-3-thien…

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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) 1.27 3.58 -39.75 3 3 1 40 269.434 3 ↓
Hi High (pH 8-9.5) 1.27 3.2 -2.74 2 3 0 38 268.426 3 ↓
Lo Low (pH 4.5-6) 1.27 5.07 -102.55 4 3 2 41 270.442 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S,3R)-3-(2,5-dimethyl-3-thienyl)-4-isopropyl-morpholin-2-yl]-N-methyl-methanamine 1-[(2S,3R)-3-(2,5-dimethyl-3-thi…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.25 5.52 -34.87 2 3 1 29 283.461 4 ↓
Hi High (pH 8-9.5) 2.25 4.02 -2.71 1 3 0 24 282.453 4 ↓
Lo Low (pH 4.5-6) 2.25 7.01 -97.58 3 3 2 30 284.469 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S,3S)-3-(2,5-dimethyl-3-thienyl)-4-isopropyl-morpholin-2-yl]-N-methyl-methanamine 1-[(2S,3S)-3-(2,5-dimethyl-3-thi…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.25 6.6 -34.43 2 3 1 29 283.461 4 ↓
Hi High (pH 8-9.5) 2.25 5.1 -3.04 1 3 0 24 282.453 4 ↓
Lo Low (pH 4.5-6) 2.25 6.9 -92.66 3 3 2 30 284.469 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R,3R)-3-(2,5-dimethyl-3-thienyl)-4-isopropyl-morpholin-2-yl]-N-methyl-methanamine 1-[(2R,3R)-3-(2,5-dimethyl-3-thi…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.25 6.02 -34.36 2 3 1 29 283.461 4 ↓
Hi High (pH 8-9.5) 2.25 4.59 -2.55 1 3 0 24 282.453 4 ↓
Lo Low (pH 4.5-6) 2.25 7.22 -91.53 3 3 2 30 284.469 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R,3S)-3-(2,5-dimethyl-3-thienyl)-4-isopropyl-morpholin-2-yl]-N-methyl-methanamine 1-[(2R,3S)-3-(2,5-dimethyl-3-thi…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.25 5.46 -34.98 2 3 1 29 283.461 4 ↓
Hi High (pH 8-9.5) 2.25 4.02 -2.54 1 3 0 24 282.453 4 ↓
Lo Low (pH 4.5-6) 2.25 6.95 -97.46 3 3 2 30 284.469 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R,3S)-4-isopropyl-3-(3-thienyl)morpholin-2-yl]-N-methyl-methanamine 1-[(2R,3S)-4-isopropyl-3-(3-thie…

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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) 1.80 3.83 -35.04 2 3 1 29 255.407 4 ↓
Hi High (pH 8-9.5) 1.80 2.39 -2 1 3 0 24 254.399 4 ↓
Lo Low (pH 4.5-6) 1.80 5.5 -98.24 3 3 2 30 256.415 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S,3S)-4-isopropyl-3-(3-thienyl)morpholin-2-yl]-N-methyl-methanamine 1-[(2S,3S)-4-isopropyl-3-(3-thie…

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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) 1.80 3.66 -34.1 2 3 1 29 255.407 4 ↓
Hi High (pH 8-9.5) 1.80 2.17 -2.69 1 3 0 24 254.399 4 ↓
Lo Low (pH 4.5-6) 1.80 5.65 -92.99 3 3 2 30 256.415 4 ↓

Parameters Provided:

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

SQL Query Was

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