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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(o-tolylmethyl)morpholine (2R)-2-(o-tolylmethyl)morpholine

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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) 1.78 5.07 -43.3 2 2 1 26 192.282 2 ↓
Hi High (pH 8-9.5) 1.78 3.71 -3.88 1 2 0 21 191.274 2 ↓

Analogs

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Popular Name: (2S)-2-(o-tolylmethyl)morpholine (2S)-2-(o-tolylmethyl)morpholine

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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) 1.78 5.05 -43.38 2 2 1 26 192.282 2 ↓
Hi High (pH 8-9.5) 1.78 3.69 -3.95 1 2 0 21 191.274 2 ↓

Analogs

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Popular Name: (2R)-2-(m-tolylmethyl)morpholine (2R)-2-(m-tolylmethyl)morpholine

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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) 1.81 5.28 -42.1 2 2 1 26 192.282 2 ↓
Hi High (pH 8-9.5) 1.81 3.93 -3.81 1 2 0 21 191.274 2 ↓

Analogs

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Popular Name: (2S)-2-(m-tolylmethyl)morpholine (2S)-2-(m-tolylmethyl)morpholine

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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) 1.81 5.28 -42.19 2 2 1 26 192.282 2 ↓
Hi High (pH 8-9.5) 1.81 3.92 -3.66 1 2 0 21 191.274 2 ↓

Analogs

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Popular Name: (2R)-2-(p-tolylmethyl)morpholine (2R)-2-(p-tolylmethyl)morpholine

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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) 1.83 5.29 -42.04 2 2 1 26 192.282 2 ↓
Hi High (pH 8-9.5) 1.83 3.93 -3.77 1 2 0 21 191.274 2 ↓

Analogs

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Popular Name: (2S)-2-(p-tolylmethyl)morpholine (2S)-2-(p-tolylmethyl)morpholine

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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) 1.83 5.29 -42.04 2 2 1 26 192.282 2 ↓
Hi High (pH 8-9.5) 1.83 3.93 -3.65 1 2 0 21 191.274 2 ↓

Analogs

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Popular Name: (2R)-2-[(4-methoxyphenyl)methyl]morpholine (2R)-2-[(4-methoxyphenyl)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) 1.44 3.91 -44.6 2 3 1 35 208.281 3 ↓
Hi High (pH 8-9.5) 1.44 2.55 -5.23 1 3 0 30 207.273 3 ↓

Analogs

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Popular Name: (2S)-2-[(4-methoxyphenyl)methyl]morpholine (2S)-2-[(4-methoxyphenyl)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) 1.44 3.91 -44.27 2 3 1 35 208.281 3 ↓
Hi High (pH 8-9.5) 1.44 2.55 -4.96 1 3 0 30 207.273 3 ↓

Analogs

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Popular Name: (2R,5S)-2-[(4-fluorophenyl)methyl]-5-methyl-morpholine (2R,5S)-2-[(4-fluorophenyl)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) 2.23 5.4 -43.31 2 2 1 26 210.272 2 ↓
Hi High (pH 8-9.5) 2.23 4.13 -4.1 1 2 0 21 209.264 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,5S)-2-[(4-fluorophenyl)methyl]-5-methyl-morpholine (2S,5S)-2-[(4-fluorophenyl)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) 2.23 5.29 -44.1 2 2 1 26 210.272 2 ↓
Hi High (pH 8-9.5) 2.23 4.01 -3.92 1 2 0 21 209.264 2 ↓

Analogs

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Popular Name: (2R)-2-[(2-chlorophenyl)methyl]morpholine (2R)-2-[(2-chlorophenyl)methyl]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) 2.01 5 -39.73 2 2 1 26 212.7 2 ↓
Hi High (pH 8-9.5) 2.01 3.64 -3.53 1 2 0 21 211.692 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(2-chlorophenyl)methyl]morpholine (2S)-2-[(2-chlorophenyl)methyl]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) 2.01 5.28 -41.81 2 2 1 26 212.7 2 ↓
Hi High (pH 8-9.5) 2.01 3.92 -4.08 1 2 0 21 211.692 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(3-chlorophenyl)methyl]morpholine (2S)-2-[(3-chlorophenyl)methyl]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) 2.04 5.12 -42.81 2 2 1 26 212.7 2 ↓
Hi High (pH 8-9.5) 2.04 3.76 -3.24 1 2 0 21 211.692 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(3-chloro-4-fluoro-phenyl)methyl]morpholine (2R)-2-[(3-chloro-4-fluoro-pheny…

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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) 2.15 5.17 -47.75 2 2 1 26 230.69 2 ↓
Hi High (pH 8-9.5) 2.15 3.81 -5.37 1 2 0 21 229.682 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(3-chloro-4-fluoro-phenyl)methyl]morpholine (2S)-2-[(3-chloro-4-fluoro-pheny…

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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) 2.15 5.17 -46.37 2 2 1 26 230.69 2 ↓
Hi High (pH 8-9.5) 2.15 3.81 -4.41 1 2 0 21 229.682 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(4-tert-butylphenyl)methyl]morpholine (2R)-2-[(4-tert-butylphenyl)meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.09 6.93 -41.58 2 2 1 26 234.363 3 ↓
Hi High (pH 8-9.5) 3.09 5.57 -3.49 1 2 0 21 233.355 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(4-tert-butylphenyl)methyl]morpholine (2S)-2-[(4-tert-butylphenyl)meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.09 6.93 -41.61 2 2 1 26 234.363 3 ↓
Hi High (pH 8-9.5) 3.09 5.57 -3.36 1 2 0 21 233.355 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(3-chloro-4-methoxy-phenyl)methyl]morpholine (2R)-2-[(3-chloro-4-methoxy-phen…

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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) 2.05 4.46 -46.88 2 3 1 35 242.726 3 ↓
Hi High (pH 8-9.5) 2.05 3.1 -6.36 1 3 0 30 241.718 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(3-chloro-4-methoxy-phenyl)methyl]morpholine (2S)-2-[(3-chloro-4-methoxy-phen…

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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) 2.05 4.46 -45.35 2 3 1 35 242.726 3 ↓
Hi High (pH 8-9.5) 2.05 3.1 -5.23 1 3 0 30 241.718 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethanol 2-[(2R)-2-[[3-(trifluoromethyl)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) 2.22 2.96 -6.95 1 3 0 33 289.297 5 ↓
Mid Mid (pH 6-8) 2.22 5.3 -39.25 2 3 1 34 290.305 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethanol 2-[(2S)-2-[[3-(trifluoromethyl)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) 2.22 2.89 -6.05 1 3 0 33 289.297 5 ↓
Mid Mid (pH 6-8) 2.22 5.27 -38.13 2 3 1 34 290.305 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(3,4-dichlorophenyl)methyl]morpholine (2R)-2-[(3,4-dichlorophenyl)meth…

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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) 2.67 5.58 -46.61 2 2 1 26 247.145 2 ↓
Hi High (pH 8-9.5) 2.67 4.22 -4.72 1 2 0 21 246.137 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(3,4-dichlorophenyl)methyl]morpholine (2S)-2-[(3,4-dichlorophenyl)meth…

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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) 2.67 5.58 -45.34 2 2 1 26 247.145 2 ↓
Hi High (pH 8-9.5) 2.67 4.22 -3.81 1 2 0 21 246.137 2 ↓

Analogs

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Popular Name: (2R)-2-[(4-bromophenyl)methyl]morpholine (2R)-2-[(4-bromophenyl)methyl]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) 2.19 5.24 -44.27 2 2 1 26 257.151 2 ↓
Hi High (pH 8-9.5) 2.19 3.88 -3.63 1 2 0 21 256.143 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(4-bromophenyl)methyl]morpholine (2S)-2-[(4-bromophenyl)methyl]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) 2.19 5.24 -44.26 2 2 1 26 257.151 2 ↓
Hi High (pH 8-9.5) 2.19 3.88 -3.65 1 2 0 21 256.143 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(3-bromophenyl)methyl]morpholine (2S)-2-[(3-bromophenyl)methyl]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) 2.17 5.23 -42.8 2 2 1 26 257.151 2 ↓
Hi High (pH 8-9.5) 2.17 3.87 -3.21 1 2 0 21 256.143 2 ↓

Analogs

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Popular Name: (2R)-4-ethylsulfonyl-2-[(3-fluorophenyl)methyl]morpholine (2R)-4-ethylsulfonyl-2-[(3-fluor…

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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) 1.87 -3.32 -12.22 0 4 0 47 287.356 4 ↓

Analogs

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Popular Name: (2S)-4-ethylsulfonyl-2-[(3-fluorophenyl)methyl]morpholine (2S)-4-ethylsulfonyl-2-[(3-fluor…

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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) 1.87 -3.39 -12.61 0 4 0 47 287.356 4 ↓

Analogs

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Popular Name: 3,3,3-trifluoro-1-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]propan-1-one 3,3,3-trifluoro-1-[(2R)-2-[(3-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) 2.53 1.77 -13.25 0 4 0 39 317.307 5 ↓

Analogs

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Popular Name: 3,3,3-trifluoro-1-[(2S)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]propan-1-one 3,3,3-trifluoro-1-[(2S)-2-[(3-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) 2.53 1.77 -13.24 0 4 0 39 317.307 5 ↓

Analogs

11840573
11840573

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Popular Name: (2R)-2-[(3-methoxyphenyl)methyl]-4-methylsulfonyl-morpholine (2R)-2-[(3-methoxyphenyl)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) 1.39 -4 -13.11 0 5 0 56 285.365 4 ↓

Analogs

11840571
11840571

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(3-methoxyphenyl)methyl]-4-methylsulfonyl-morpholine (2S)-2-[(3-methoxyphenyl)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) 1.39 -4.08 -13.36 0 5 0 56 285.365 4 ↓

Analogs

11840705
11840705

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]pent-4-en-1-one 1-[(2R)-2-[(3-methoxyphenyl)meth…

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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) 2.76 0.57 -10.12 0 4 0 39 289.375 6 ↓

Analogs

11840703
11840703

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Popular Name: 1-[(2S)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]pent-4-en-1-one 1-[(2S)-2-[(3-methoxyphenyl)meth…

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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) 2.76 0.57 -10.05 0 4 0 39 289.375 6 ↓

Analogs

11841528
11841528

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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) 1.40 0.9 -8.96 0 5 0 56 291.347 6 ↓

Analogs

11841526
11841526

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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) 1.40 0.9 -8.99 0 5 0 56 291.347 6 ↓

Analogs

11842206
11842206

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Popular Name: 1-[(2S)-2-benzylmorpholin-4-yl]but-3-en-1-one 1-[(2S)-2-benzylmorpholin-4-yl]b…

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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) 2.22 0.44 -9.01 0 3 0 30 245.322 4 ↓

Analogs

11842205
11842205

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Popular Name: 1-[(2R)-2-benzylmorpholin-4-yl]but-3-en-1-one 1-[(2R)-2-benzylmorpholin-4-yl]b…

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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) 2.22 0.43 -9.01 0 3 0 30 245.322 4 ↓

Analogs

12027077
12027077

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Popular Name: 2-diethylamino-1-[(2S)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]ethanone 2-diethylamino-1-[(2S)-2-[(4-flu…

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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 1.35 -39.39 1 4 1 34 309.405 6 ↓

Analogs

12027072
12027072

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Popular Name: 2-diethylamino-1-[(2R)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]ethanone 2-diethylamino-1-[(2R)-2-[(4-flu…

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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 1.33 -39.51 1 4 1 34 309.405 6 ↓

Analogs

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Popular Name: (2R)-2-[(3-methoxyphenyl)methyl]-4-(4,4,4-trifluorobutyl)morpholine (2R)-2-[(3-methoxyphenyl)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) 3.48 6.47 -7.49 0 3 0 22 317.351 7 ↓
Mid Mid (pH 6-8) 3.48 8.73 -46.75 1 3 1 23 318.359 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(3-methoxyphenyl)methyl]-4-(4,4,4-trifluorobutyl)morpholine (2S)-2-[(3-methoxyphenyl)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) 3.48 6.46 -6.64 0 3 0 22 317.351 7 ↓
Mid Mid (pH 6-8) 3.48 8.73 -45.51 1 3 1 23 318.359 7 ↓

Parameters Provided:

ring.id = 27252
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 = 27252 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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