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Popular Name: (2R,3S)-2-methyl-3-phenyl-morpholine (2R,3S)-2-methyl-3-phenyl-morpho…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.89 4.32 -37.02 2 2 1 26 178.255 1 ↓
Mid Mid (pH 6-8) 1.89 3 -3.08 1 2 0 21 177.247 1 ↓

Analogs

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Popular Name: (2S,3S)-2-methyl-3-phenyl-morpholine (2S,3S)-2-methyl-3-phenyl-morpho…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.89 4.43 -37.49 2 2 1 26 178.255 1 ↓
Mid Mid (pH 6-8) 1.89 3.11 -3.15 1 2 0 21 177.247 1 ↓

Analogs

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Popular Name: (2R,3R)-2-methyl-3-phenyl-morpholine (2R,3R)-2-methyl-3-phenyl-morpho…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.89 4.43 -37.5 2 2 1 26 178.255 1 ↓
Mid Mid (pH 6-8) 1.89 3.31 -2.68 1 2 0 21 177.247 1 ↓

Analogs

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Popular Name: (2S,3R)-2-methyl-3-phenyl-morpholine (2S,3R)-2-methyl-3-phenyl-morpho…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.89 4.32 -37.05 2 2 1 26 178.255 1 ↓
Mid Mid (pH 6-8) 1.89 3.34 -2.52 1 2 0 21 177.247 1 ↓

Analogs

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Popular Name: (3R)-3-(3-fluorophenyl)morpholine (3R)-3-(3-fluorophenyl)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) 1.66 3.92 -40.16 2 2 1 26 182.218 1 ↓
Mid Mid (pH 6-8) 1.66 2.78 -3.78 1 2 0 21 181.21 1 ↓

Analogs

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Popular Name: (3S)-3-(3-fluorophenyl)morpholine (3S)-3-(3-fluorophenyl)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) 1.66 3.92 -40.14 2 2 1 26 182.218 1 ↓
Mid Mid (pH 6-8) 1.66 2.6 -3.92 1 2 0 21 181.21 1 ↓

Analogs

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Popular Name: (2R,5R)-5-(2-fluorophenyl)-2-methyl-morpholine (2R,5R)-5-(2-fluorophenyl)-2-met…

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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) 2.00 4.71 -39.45 2 2 1 26 196.245 1 ↓
Mid Mid (pH 6-8) 2.00 3.41 -4.79 1 2 0 21 195.237 1 ↓

Analogs

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Popular Name: (2S,5R)-5-(2-fluorophenyl)-2-methyl-morpholine (2S,5R)-5-(2-fluorophenyl)-2-met…

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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) 2.00 4.74 -40.53 2 2 1 26 196.245 1 ↓
Mid Mid (pH 6-8) 2.00 3.44 -4.88 1 2 0 21 195.237 1 ↓

Analogs

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Popular Name: (2R,5S)-5-(2-fluorophenyl)-2-methyl-morpholine (2R,5S)-5-(2-fluorophenyl)-2-met…

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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) 2.00 4.71 -40.25 2 2 1 26 196.245 1 ↓
Mid Mid (pH 6-8) 2.00 3.68 -4.25 1 2 0 21 195.237 1 ↓

Analogs

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Popular Name: (2S,5S)-5-(2-fluorophenyl)-2-methyl-morpholine (2S,5S)-5-(2-fluorophenyl)-2-met…

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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) 2.00 4.67 -39.15 2 2 1 26 196.245 1 ↓
Mid Mid (pH 6-8) 2.00 3.8 -4.04 1 2 0 21 195.237 1 ↓

Analogs

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Popular Name: (2R,5R)-5-(3-fluorophenyl)-2-methyl-morpholine (2R,5R)-5-(3-fluorophenyl)-2-met…

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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) 2.03 4.63 -41.69 2 2 1 26 196.245 1 ↓
Mid Mid (pH 6-8) 2.03 3.32 -4.05 1 2 0 21 195.237 1 ↓

Analogs

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Popular Name: (2S,5R)-5-(3-fluorophenyl)-2-methyl-morpholine (2S,5R)-5-(3-fluorophenyl)-2-met…

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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) 2.03 4.67 -42.72 2 2 1 26 196.245 1 ↓
Mid Mid (pH 6-8) 2.03 3.35 -4.2 1 2 0 21 195.237 1 ↓

Analogs

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Popular Name: (2R,5S)-5-(3-fluorophenyl)-2-methyl-morpholine (2R,5S)-5-(3-fluorophenyl)-2-met…

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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) 2.03 4.68 -42.68 2 2 1 26 196.245 1 ↓
Mid Mid (pH 6-8) 2.03 3.52 -3.28 1 2 0 21 195.237 1 ↓

Analogs

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Popular Name: (2S,5S)-5-(3-fluorophenyl)-2-methyl-morpholine (2S,5S)-5-(3-fluorophenyl)-2-met…

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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) 2.03 4.63 -41.67 2 2 1 26 196.245 1 ↓
Mid Mid (pH 6-8) 2.03 3.64 -3.16 1 2 0 21 195.237 1 ↓

Analogs

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Popular Name: (2R,5R)-5-(4-fluorophenyl)-2-methyl-morpholine (2R,5R)-5-(4-fluorophenyl)-2-met…

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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 4.63 -42.2 2 2 1 26 196.245 1 ↓
Mid Mid (pH 6-8) 2.05 3.32 -3.66 1 2 0 21 195.237 1 ↓

Analogs

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Popular Name: (2S,5R)-5-(4-fluorophenyl)-2-methyl-morpholine (2S,5R)-5-(4-fluorophenyl)-2-met…

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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 4.67 -43.08 2 2 1 26 196.245 1 ↓
Mid Mid (pH 6-8) 2.05 3.35 -3.8 1 2 0 21 195.237 1 ↓

Analogs

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Popular Name: (2R,5S)-5-(4-fluorophenyl)-2-methyl-morpholine (2R,5S)-5-(4-fluorophenyl)-2-met…

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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 4.68 -43.07 2 2 1 26 196.245 1 ↓
Mid Mid (pH 6-8) 2.05 3.52 -3.19 1 2 0 21 195.237 1 ↓

Analogs

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Popular Name: (2S,5S)-5-(4-fluorophenyl)-2-methyl-morpholine (2S,5S)-5-(4-fluorophenyl)-2-met…

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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 4.62 -42.13 2 2 1 26 196.245 1 ↓
Mid Mid (pH 6-8) 2.05 3.64 -2.99 1 2 0 21 195.237 1 ↓

Analogs

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Popular Name: (3R)-3-(2,5-difluorophenyl)morpholine (3R)-3-(2,5-difluorophenyl)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) 1.78 3.04 -3.38 1 2 0 21 199.2 1 ↓
Mid Mid (pH 6-8) 1.78 4.06 -40.39 2 2 1 26 200.208 1 ↓

Analogs

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Popular Name: (3S)-3-(2,5-difluorophenyl)morpholine (3S)-3-(2,5-difluorophenyl)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) 1.78 2.71 -3.86 1 2 0 21 199.2 1 ↓
Mid Mid (pH 6-8) 1.78 4.02 -40.24 2 2 1 26 200.208 1 ↓

Analogs

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Popular Name: (3R)-3-(2,4-difluorophenyl)morpholine (3R)-3-(2,4-difluorophenyl)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) 1.78 4.05 -44.68 2 2 1 26 200.208 1 ↓
Mid Mid (pH 6-8) 1.78 3.04 -3.59 1 2 0 21 199.2 1 ↓

Analogs

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Popular Name: (3S)-3-(2,4-difluorophenyl)morpholine (3S)-3-(2,4-difluorophenyl)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) 1.78 4.03 -44.33 2 2 1 26 200.208 1 ↓
Mid Mid (pH 6-8) 1.78 2.71 -4.44 1 2 0 21 199.2 1 ↓

Analogs

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Popular Name: (2R,5R)-5-(2-methoxyphenyl)-2-methyl-morpholine (2R,5R)-5-(2-methoxyphenyl)-2-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) 1.90 4.02 -37.1 2 3 1 35 208.281 2 ↓
Mid Mid (pH 6-8) 1.90 2.72 -5 1 3 0 30 207.273 2 ↓

Analogs

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Popular Name: (2S,5R)-5-(2-methoxyphenyl)-2-methyl-morpholine (2S,5R)-5-(2-methoxyphenyl)-2-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) 1.90 4.06 -38.05 2 3 1 35 208.281 2 ↓
Mid Mid (pH 6-8) 1.90 2.75 -5.07 1 3 0 30 207.273 2 ↓

Analogs

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Popular Name: (2R,5S)-5-(2-methoxyphenyl)-2-methyl-morpholine (2R,5S)-5-(2-methoxyphenyl)-2-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) 1.90 4.03 -37.84 2 3 1 35 208.281 2 ↓
Mid Mid (pH 6-8) 1.90 2.99 -4.51 1 3 0 30 207.273 2 ↓

Analogs

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Popular Name: (2S,5S)-5-(2-methoxyphenyl)-2-methyl-morpholine (2S,5S)-5-(2-methoxyphenyl)-2-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) 1.90 3.99 -36.8 2 3 1 35 208.281 2 ↓
Mid Mid (pH 6-8) 1.90 3.1 -4.34 1 3 0 30 207.273 2 ↓

Analogs

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Popular Name: (3S,5R)-3-(4-methoxyphenyl)-5-methyl-morpholine (3S,5R)-3-(4-methoxyphenyl)-5-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) 1.91 3.82 -37.61 2 3 1 35 208.281 2 ↓
Hi High (pH 8-9.5) 1.91 2.79 -3.78 1 3 0 30 207.273 2 ↓

Analogs

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Popular Name: (3S,5S)-3-(4-methoxyphenyl)-5-methyl-morpholine (3S,5S)-3-(4-methoxyphenyl)-5-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) 1.91 3.73 -38.72 2 3 1 35 208.281 2 ↓
Hi High (pH 8-9.5) 1.91 2.68 -3.74 1 3 0 30 207.273 2 ↓

Analogs

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Popular Name: (3R,5R)-3-(4-methoxyphenyl)-5-methyl-morpholine (3R,5R)-3-(4-methoxyphenyl)-5-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) 1.91 3.73 -38.74 2 3 1 35 208.281 2 ↓
Hi High (pH 8-9.5) 1.91 2.52 -4.31 1 3 0 30 207.273 2 ↓

Analogs

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Popular Name: (3R,5S)-3-(4-methoxyphenyl)-5-methyl-morpholine (3R,5S)-3-(4-methoxyphenyl)-5-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) 1.91 3.85 -37.6 2 3 1 35 208.281 2 ↓
Hi High (pH 8-9.5) 1.91 2.63 -4.33 1 3 0 30 207.273 2 ↓

Analogs

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Popular Name: (2R,5R)-5-(2-chlorophenyl)-2-methyl-morpholine (2R,5R)-5-(2-chlorophenyl)-2-met…

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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) 2.52 5.03 -38.56 2 2 1 26 212.7 1 ↓
Mid Mid (pH 6-8) 2.52 3.73 -4 1 2 0 21 211.692 1 ↓

Analogs

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Popular Name: (2S,5R)-5-(2-chlorophenyl)-2-methyl-morpholine (2S,5R)-5-(2-chlorophenyl)-2-met…

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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) 2.52 5.07 -39.61 2 2 1 26 212.7 1 ↓
Mid Mid (pH 6-8) 2.52 3.76 -4.09 1 2 0 21 211.692 1 ↓

Analogs

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Popular Name: (2R,5S)-5-(2-chlorophenyl)-2-methyl-morpholine (2R,5S)-5-(2-chlorophenyl)-2-met…

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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) 2.52 5.07 -39.34 2 2 1 26 212.7 1 ↓
Mid Mid (pH 6-8) 2.52 4.03 -3.43 1 2 0 21 211.692 1 ↓

Analogs

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Popular Name: (2S,5S)-5-(2-chlorophenyl)-2-methyl-morpholine (2S,5S)-5-(2-chlorophenyl)-2-met…

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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) 2.52 5.03 -38.25 2 2 1 26 212.7 1 ↓
Mid Mid (pH 6-8) 2.52 4.15 -3.28 1 2 0 21 211.692 1 ↓

Analogs

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Popular Name: (3S,5R)-3-(4-chlorophenyl)-5-methyl-morpholine (3S,5R)-3-(4-chlorophenyl)-5-met…

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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 5.04 -39.01 2 2 1 26 212.7 1 ↓
Mid Mid (pH 6-8) 2.53 4 -2.4 1 2 0 21 211.692 1 ↓

Analogs

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Popular Name: (3S,5S)-3-(4-chlorophenyl)-5-methyl-morpholine (3S,5S)-3-(4-chlorophenyl)-5-met…

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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 4.95 -40.13 2 2 1 26 212.7 1 ↓
Mid Mid (pH 6-8) 2.53 3.9 -2.35 1 2 0 21 211.692 1 ↓

Analogs

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Popular Name: (3R,5R)-3-(4-chlorophenyl)-5-methyl-morpholine (3R,5R)-3-(4-chlorophenyl)-5-met…

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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 4.95 -40.12 2 2 1 26 212.7 1 ↓
Mid Mid (pH 6-8) 2.53 3.73 -3.02 1 2 0 21 211.692 1 ↓

Analogs

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Popular Name: (3R,5S)-3-(4-chlorophenyl)-5-methyl-morpholine (3R,5S)-3-(4-chlorophenyl)-5-met…

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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 5.07 -38.99 2 2 1 26 212.7 1 ↓
Mid Mid (pH 6-8) 2.53 3.85 -2.99 1 2 0 21 211.692 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,5R)-5-(2,4-difluorophenyl)-2-methyl-morpholine (2R,5R)-5-(2,4-difluorophenyl)-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) 2.14 4.78 -43.71 2 2 1 26 214.235 1 ↓
Mid Mid (pH 6-8) 2.14 3.47 -4.15 1 2 0 21 213.227 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,5R)-5-(2,4-difluorophenyl)-2-methyl-morpholine (2S,5R)-5-(2,4-difluorophenyl)-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) 2.14 4.81 -44.94 2 2 1 26 214.235 1 ↓
Mid Mid (pH 6-8) 2.14 3.5 -4.28 1 2 0 21 213.227 1 ↓

Analogs

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Popular Name: (3S)-3-(4-methoxy-2,3,5-trimethyl-phenyl)morpholine (3S)-3-(4-methoxy-2,3,5-trimethy…

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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) 2.71 4.95 -41.17 2 3 1 35 236.335 2 ↓
Hi High (pH 8-9.5) 2.71 3.64 -4.63 1 3 0 30 235.327 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R)-3-(4-tert-butoxyphenyl)-2-methyl-morpholine (2R,3R)-3-(4-tert-butoxyphenyl)-…

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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) 3.13 5.57 -40.01 2 3 1 35 250.362 3 ↓
Hi High (pH 8-9.5) 3.13 4.45 -3.86 1 3 0 30 249.354 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,5S)-3-(4-methoxy-2,3,5-trimethyl-phenyl)-5-methyl-morpholine (3S,5S)-3-(4-methoxy-2,3,5-trime…

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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) 3.04 5.54 -39.34 2 3 1 35 250.362 2 ↓
Hi High (pH 8-9.5) 3.04 4.32 -4.39 1 3 0 30 249.354 2 ↓

Analogs

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Popular Name: (3S,5R)-3-(4-bromophenyl)-5-methyl-morpholine (3S,5R)-3-(4-bromophenyl)-5-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) 2.66 5.15 -39.14 2 2 1 26 257.151 1 ↓
Mid Mid (pH 6-8) 2.66 4.11 -2.35 1 2 0 21 256.143 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,5S)-3-(4-bromophenyl)-5-methyl-morpholine (3S,5S)-3-(4-bromophenyl)-5-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) 2.66 5.05 -40.21 2 2 1 26 257.151 1 ↓
Mid Mid (pH 6-8) 2.66 4.01 -2.3 1 2 0 21 256.143 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,5R)-3-(4-bromophenyl)-5-methyl-morpholine (3R,5R)-3-(4-bromophenyl)-5-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) 2.66 5.05 -40.23 2 2 1 26 257.151 1 ↓
Mid Mid (pH 6-8) 2.66 3.84 -2.98 1 2 0 21 256.143 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,5S)-3-(4-bromophenyl)-5-methyl-morpholine (3R,5S)-3-(4-bromophenyl)-5-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) 2.66 5.18 -39.14 2 2 1 26 257.151 1 ↓
Mid Mid (pH 6-8) 2.66 3.95 -2.97 1 2 0 21 256.143 1 ↓

Analogs

39039601
39039601
39039602
39039602
39284960
39284960
39284961
39284961
39284962
39284962

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-3-Phenylmorpholine (S)-3-Phenylmorpholine

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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) 1.53 3.85 -37.97 2 2 1 26 164.228 1 ↓

Analogs

44095134
44095134
44095137
44095137
44095497
44095497
44095500
44095500
44097513
44097513

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(o-tolyl)morpholine (3R)-3-(o-tolyl)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) 1.93 4.42 -38.59 2 2 1 26 178.255 1 ↓

Analogs

44095134
44095134
44095137
44095137
44095497
44095497
44095500
44095500
44097513
44097513

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(o-tolyl)morpholine (3S)-3-(o-tolyl)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) 1.93 4.39 -38.34 2 2 1 26 178.255 1 ↓

Parameters Provided:

ring.id = 23621
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 = 23621 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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