UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[(2R)-4-(3-phenylpropyl)morpholin-2-yl]ethanamine 2-[(2R)-4-(3-phenylpropyl)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) 1.21 4.16 -42.99 3 3 1 40 249.378 6 ↓
Mid Mid (pH 6-8) 1.21 6.44 -99.22 4 3 2 41 250.386 6 ↓

Analogs

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Popular Name: 2-[(2S)-4-(3-phenylpropyl)morpholin-2-yl]ethanamine 2-[(2S)-4-(3-phenylpropyl)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) 1.21 4.16 -42.98 3 3 1 40 249.378 6 ↓
Mid Mid (pH 6-8) 1.21 6.43 -99.25 4 3 2 41 250.386 6 ↓

Analogs

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

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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) 2.28 5.28 -37.15 2 3 1 29 249.378 6 ↓
Hi High (pH 8-9.5) 2.28 3.77 -4.07 1 3 0 24 248.37 6 ↓
Lo Low (pH 4.5-6) 2.28 7.55 -101.14 3 3 2 30 250.386 6 ↓

Analogs

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

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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) 2.28 5.31 -36.91 2 3 1 29 249.378 6 ↓
Hi High (pH 8-9.5) 2.28 3.88 -3.41 1 3 0 24 248.37 6 ↓
Lo Low (pH 4.5-6) 2.28 7.58 -100.75 3 3 2 30 250.386 6 ↓

Analogs

37846482
37846482
37846483
37846483

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Popular Name: (2S)-2-methyl-2-morpholino-4-phenyl-butan-1-amine (2S)-2-methyl-2-morpholino-4-phe…

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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) 1.75 3.77 -50.42 3 3 1 40 249.378 5 ↓
Lo Low (pH 4.5-6) 1.75 5.71 -131.99 4 3 2 41 250.386 5 ↓

Analogs

37846482
37846482
37846483
37846483

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Popular Name: (2R)-2-methyl-2-morpholino-4-phenyl-butan-1-amine (2R)-2-methyl-2-morpholino-4-phe…

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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) 1.75 3.75 -50.55 3 3 1 40 249.378 5 ↓
Lo Low (pH 4.5-6) 1.75 5.69 -131.99 4 3 2 41 250.386 5 ↓

Analogs

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Popular Name: 2-[(2S,6R)-6-methyl-4-(3-phenylpropyl)morpholin-2-yl]ethanamine 2-[(2S,6R)-6-methyl-4-(3-phenylp…

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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) 1.57 4.91 -42.97 3 3 1 40 263.405 6 ↓
Mid Mid (pH 6-8) 1.57 7.17 -99.87 4 3 2 41 264.413 6 ↓

Analogs

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Popular Name: 2-[(2S,6S)-6-methyl-4-(3-phenylpropyl)morpholin-2-yl]ethanamine 2-[(2S,6S)-6-methyl-4-(3-phenylp…

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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) 1.57 5.18 -42.86 3 3 1 40 263.405 6 ↓
Mid Mid (pH 6-8) 1.57 7.13 -99.05 4 3 2 41 264.413 6 ↓

Analogs

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Popular Name: (2S)-1-(4-ethoxyphenyl)-3-morpholino-propan-2-amine (2S)-1-(4-ethoxyphenyl)-3-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) 1.29 3.46 -45.49 3 4 1 49 265.377 6 ↓
Hi High (pH 8-9.5) 1.29 3.08 -4.76 2 4 0 48 264.369 6 ↓
Lo Low (pH 4.5-6) 1.29 5.27 -131.55 4 4 2 51 266.385 6 ↓

Analogs

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Popular Name: (2R)-1-(4-ethoxyphenyl)-3-morpholino-propan-2-amine (2R)-1-(4-ethoxyphenyl)-3-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) 1.29 3.48 -44.71 3 4 1 49 265.377 6 ↓
Hi High (pH 8-9.5) 1.29 2.66 -4.81 2 4 0 48 264.369 6 ↓
Lo Low (pH 4.5-6) 1.29 5.25 -130.61 4 4 2 51 266.385 6 ↓

Analogs

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Popular Name: (3R)-3-(4-bromophenyl)-1-morpholino-pentan-3-ol (3R)-3-(4-bromophenyl)-1-morphol…

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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) 3.17 3.4 -4.88 1 3 0 33 328.25 5 ↓

Analogs

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Popular Name: (3S)-3-(4-bromophenyl)-1-morpholino-pentan-3-ol (3S)-3-(4-bromophenyl)-1-morphol…

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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) 3.17 3.66 -4.78 1 3 0 33 328.25 5 ↓

Analogs

36770131
36770131

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Popular Name: (1S)-1-(4-fluorophenyl)-3-morpholino-propan-1-amine (1S)-1-(4-fluorophenyl)-3-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) -0.26 2.31 -4.46 2 3 0 38 238.306 4 ↓
Lo Low (pH 4.5-6) -0.26 4.58 -39.02 3 3 1 40 239.314 4 ↓
Lo Low (pH 4.5-6) -0.26 4.88 -129.46 4 3 2 41 240.322 4 ↓

Analogs

36770131
36770131

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Popular Name: (1R)-1-(4-fluorophenyl)-3-morpholino-propan-1-amine (1R)-1-(4-fluorophenyl)-3-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) -0.26 2.28 -4.76 2 3 0 38 238.306 4 ↓
Lo Low (pH 4.5-6) -0.26 4.88 -129.67 4 3 2 41 240.322 4 ↓
Lo Low (pH 4.5-6) -0.26 4.54 -42.18 3 3 1 40 239.314 4 ↓

Analogs

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Popular Name: (1S)-N-methyl-3-morpholino-1-phenyl-propan-1-amine (1S)-N-methyl-3-morpholino-1-phe…

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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) 0.92 3.13 -3.34 1 3 0 24 234.343 5 ↓
Mid Mid (pH 6-8) 0.92 4.25 -41.36 2 3 1 29 235.351 5 ↓
Lo Low (pH 4.5-6) 0.92 5.41 -38.56 2 3 1 26 235.351 5 ↓

Analogs

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Popular Name: (1R)-N-methyl-3-morpholino-1-phenyl-propan-1-amine (1R)-N-methyl-3-morpholino-1-phe…

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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) 0.92 3.13 -3.12 1 3 0 24 234.343 5 ↓
Mid Mid (pH 6-8) 0.92 4.27 -41.31 2 3 1 29 235.351 5 ↓
Lo Low (pH 4.5-6) 0.92 5.41 -34.92 2 3 1 26 235.351 5 ↓

Analogs

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Popular Name: (1S)-N-ethyl-3-morpholino-1-phenyl-propan-1-amine (1S)-N-ethyl-3-morpholino-1-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) 1.30 4.06 -3.16 1 3 0 24 248.37 6 ↓
Mid Mid (pH 6-8) 1.30 6.36 -38.77 2 3 1 26 249.378 6 ↓
Mid Mid (pH 6-8) 1.30 5.09 -39.72 2 3 1 29 249.378 6 ↓

Analogs

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Popular Name: (1R)-N-ethyl-3-morpholino-1-phenyl-propan-1-amine (1R)-N-ethyl-3-morpholino-1-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) 1.30 4.08 -2.96 1 3 0 24 248.37 6 ↓
Mid Mid (pH 6-8) 1.30 5.11 -39.66 2 3 1 29 249.378 6 ↓
Mid Mid (pH 6-8) 1.30 6.35 -35.07 2 3 1 26 249.378 6 ↓

Analogs

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Popular Name: (1S)-3-morpholino-1-phenyl-N-propyl-propan-1-amine (1S)-3-morpholino-1-phenyl-N-pro…

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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 4.9 -2.98 1 3 0 24 262.397 7 ↓
Mid Mid (pH 6-8) 1.80 5.84 -40.53 2 3 1 29 263.405 7 ↓
Mid Mid (pH 6-8) 1.80 7.19 -38.94 2 3 1 26 263.405 7 ↓

Analogs

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Popular Name: (1R)-3-morpholino-1-phenyl-N-propyl-propan-1-amine (1R)-3-morpholino-1-phenyl-N-pro…

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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 4.85 -2.88 1 3 0 24 262.397 7 ↓
Mid Mid (pH 6-8) 1.80 5.87 -40.49 2 3 1 29 263.405 7 ↓
Mid Mid (pH 6-8) 1.80 7.12 -35.28 2 3 1 26 263.405 7 ↓

Analogs

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Popular Name: (1S)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-methyl-1-phenyl-propan-1-amine (1S)-3-[(2S,6R)-2,6-dimethylmorp…

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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) 1.65 4.63 -3.28 1 3 0 24 262.397 5 ↓
Mid Mid (pH 6-8) 1.65 5.75 -41.88 2 3 1 29 263.405 5 ↓
Lo Low (pH 4.5-6) 1.65 6.91 -35.78 2 3 1 26 263.405 5 ↓

Analogs

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Popular Name: (1S)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-methyl-1-phenyl-propan-1-amine (1S)-3-[(2S,6S)-2,6-dimethylmorp…

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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) 1.65 4.92 -3 1 3 0 24 262.397 5 ↓
Mid Mid (pH 6-8) 1.65 6.04 -41.65 2 3 1 29 263.405 5 ↓
Lo Low (pH 4.5-6) 1.65 6.88 -35.14 2 3 1 26 263.405 5 ↓

Analogs

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Popular Name: (1S)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-methyl-1-phenyl-propan-1-amine (1S)-3-[(2R,6R)-2,6-dimethylmorp…

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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) 1.65 4.92 -3.04 1 3 0 24 262.397 5 ↓
Mid Mid (pH 6-8) 1.65 6.03 -41.63 2 3 1 29 263.405 5 ↓
Lo Low (pH 4.5-6) 1.65 6.89 -35.11 2 3 1 26 263.405 5 ↓

Analogs

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Popular Name: (1S)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-ethyl-1-phenyl-propan-1-amine (1S)-3-[(2S,6R)-2,6-dimethylmorp…

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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 5.56 -3.27 1 3 0 24 276.424 6 ↓
Mid Mid (pH 6-8) 2.03 7.85 -39.35 2 3 1 26 277.432 6 ↓
Mid Mid (pH 6-8) 2.03 6.59 -39.96 2 3 1 29 277.432 6 ↓

Analogs

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Popular Name: (1R)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-ethyl-1-phenyl-propan-1-amine (1R)-3-[(2S,6R)-2,6-dimethylmorp…

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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 5.58 -3.08 1 3 0 24 276.424 6 ↓
Mid Mid (pH 6-8) 2.03 7.85 -35.83 2 3 1 26 277.432 6 ↓
Mid Mid (pH 6-8) 2.03 6.6 -40.11 2 3 1 29 277.432 6 ↓

Analogs

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Popular Name: (1S)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-ethyl-1-phenyl-propan-1-amine (1S)-3-[(2R,6R)-2,6-dimethylmorp…

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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 5.84 -2.82 1 3 0 24 276.424 6 ↓
Mid Mid (pH 6-8) 2.03 6.87 -39.93 2 3 1 29 277.432 6 ↓
Mid Mid (pH 6-8) 2.03 7.81 -38.77 2 3 1 26 277.432 6 ↓

Analogs

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Popular Name: (1R)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-ethyl-1-phenyl-propan-1-amine (1R)-3-[(2R,6R)-2,6-dimethylmorp…

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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 5.86 -2.64 1 3 0 24 276.424 6 ↓
Mid Mid (pH 6-8) 2.03 6.89 -40.06 2 3 1 29 277.432 6 ↓
Mid Mid (pH 6-8) 2.03 7.83 -34.96 2 3 1 26 277.432 6 ↓

Analogs

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Popular Name: (1S)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-phenyl-N-propyl-propan-1-amine (1S)-3-[(2S,6R)-2,6-dimethylmorp…

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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 6.31 -3.24 1 3 0 24 290.451 7 ↓
Mid Mid (pH 6-8) 2.53 7.34 -40.83 2 3 1 29 291.459 7 ↓
Mid Mid (pH 6-8) 2.53 8.69 -39.54 2 3 1 26 291.459 7 ↓

Analogs

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Popular Name: (1R)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-phenyl-N-propyl-propan-1-amine (1R)-3-[(2S,6R)-2,6-dimethylmorp…

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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 6.33 -2.99 1 3 0 24 290.451 7 ↓
Mid Mid (pH 6-8) 2.53 7.37 -40.87 2 3 1 29 291.459 7 ↓
Mid Mid (pH 6-8) 2.53 8.62 -36.03 2 3 1 26 291.459 7 ↓

Analogs

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Popular Name: (1S)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-phenyl-N-propyl-propan-1-amine (1S)-3-[(2R,6R)-2,6-dimethylmorp…

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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 6.6 -2.8 1 3 0 24 290.451 7 ↓
Mid Mid (pH 6-8) 2.53 7.62 -40.83 2 3 1 29 291.459 7 ↓
Mid Mid (pH 6-8) 2.53 8.66 -38.94 2 3 1 26 291.459 7 ↓

Analogs

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Popular Name: (1R)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-phenyl-N-propyl-propan-1-amine (1R)-3-[(2R,6R)-2,6-dimethylmorp…

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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 6.62 -2.58 1 3 0 24 290.451 7 ↓
Mid Mid (pH 6-8) 2.53 8.59 -35.15 2 3 1 26 291.459 7 ↓
Mid Mid (pH 6-8) 2.53 7.65 -40.92 2 3 1 29 291.459 7 ↓

Analogs

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Popular Name: (1S)-N-methyl-3-[(2R)-2-methylmorpholin-4-yl]-1-phenyl-propan-1-amine (1S)-N-methyl-3-[(2R)-2-methylmo…

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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) 1.29 3.88 -3.24 1 3 0 24 248.37 5 ↓
Mid Mid (pH 6-8) 1.29 5 -41.62 2 3 1 29 249.378 5 ↓
Lo Low (pH 4.5-6) 1.29 6.16 -35.56 2 3 1 26 249.378 5 ↓

Analogs

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Popular Name: (1S)-N-methyl-3-[(2S)-2-methylmorpholin-4-yl]-1-phenyl-propan-1-amine (1S)-N-methyl-3-[(2S)-2-methylmo…

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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) 1.29 3.88 -3.1 1 3 0 24 248.37 5 ↓
Mid Mid (pH 6-8) 1.29 5.01 -41.52 2 3 1 29 249.378 5 ↓
Lo Low (pH 4.5-6) 1.29 6.16 -35.28 2 3 1 26 249.378 5 ↓

Analogs

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Popular Name: (1S)-N-ethyl-3-[(2R)-2-methylmorpholin-4-yl]-1-phenyl-propan-1-amine (1S)-N-ethyl-3-[(2R)-2-methylmor…

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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 4.81 -3.13 1 3 0 24 262.397 6 ↓
Mid Mid (pH 6-8) 1.66 5.84 -39.89 2 3 1 29 263.405 6 ↓
Mid Mid (pH 6-8) 1.66 7.1 -39 2 3 1 26 263.405 6 ↓

Analogs

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Popular Name: (1R)-N-ethyl-3-[(2R)-2-methylmorpholin-4-yl]-1-phenyl-propan-1-amine (1R)-N-ethyl-3-[(2R)-2-methylmor…

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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 4.83 -2.91 1 3 0 24 262.397 6 ↓
Mid Mid (pH 6-8) 1.66 5.86 -39.88 2 3 1 29 263.405 6 ↓
Mid Mid (pH 6-8) 1.66 7.11 -35.42 2 3 1 26 263.405 6 ↓

Analogs

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Popular Name: (1S)-3-[(2R)-2-methylmorpholin-4-yl]-1-phenyl-N-propyl-propan-1-amine (1S)-3-[(2R)-2-methylmorpholin-4…

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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 5.65 -3.02 1 3 0 24 276.424 7 ↓
Mid Mid (pH 6-8) 2.17 6.59 -40.7 2 3 1 29 277.432 7 ↓
Mid Mid (pH 6-8) 2.17 7.94 -39.3 2 3 1 26 277.432 7 ↓

Analogs

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Popular Name: (1R)-3-[(2R)-2-methylmorpholin-4-yl]-1-phenyl-N-propyl-propan-1-amine (1R)-3-[(2R)-2-methylmorpholin-4…

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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 5.6 -2.86 1 3 0 24 276.424 7 ↓
Mid Mid (pH 6-8) 2.17 6.62 -40.71 2 3 1 29 277.432 7 ↓
Mid Mid (pH 6-8) 2.17 7.87 -35.54 2 3 1 26 277.432 7 ↓

Analogs

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Popular Name: (1S)-3-[(2R)-2-methylmorpholin-4-yl]-1-phenyl-propan-1-ol (1S)-3-[(2R)-2-methylmorpholin-4…

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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) 1.64 2.83 -4.75 1 3 0 33 235.327 4 ↓
Mid Mid (pH 6-8) 1.64 5.11 -38.56 2 3 1 34 236.335 4 ↓

Analogs

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Popular Name: (1S)-3-[(2S)-2-methylmorpholin-4-yl]-1-phenyl-propan-1-ol (1S)-3-[(2S)-2-methylmorpholin-4…

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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) 1.64 2.83 -4.63 1 3 0 33 235.327 4 ↓
Mid Mid (pH 6-8) 1.64 5.11 -38.36 2 3 1 34 236.335 4 ↓

Analogs

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Popular Name: (1S)-3-[(3R)-3-methylmorpholin-4-yl]-1-phenyl-propan-1-ol (1S)-3-[(3R)-3-methylmorpholin-4…

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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) 1.60 2.69 -4.71 1 3 0 33 235.327 4 ↓
Mid Mid (pH 6-8) 1.60 4.87 -36.24 2 3 1 34 236.335 4 ↓

Analogs

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Popular Name: (1S)-3-[(3S)-3-methylmorpholin-4-yl]-1-phenyl-propan-1-ol (1S)-3-[(3S)-3-methylmorpholin-4…

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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) 1.60 2.69 -4.57 1 3 0 33 235.327 4 ↓
Mid Mid (pH 6-8) 1.60 4.87 -36.08 2 3 1 34 236.335 4 ↓

Analogs

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Popular Name: (1S)-3-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-1-phenyl-propan-1-ol (1S)-3-[(2R,5R)-2,5-dimethylmorp…

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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) 1.97 3.27 -4.2 1 3 0 33 249.354 4 ↓
Mid Mid (pH 6-8) 1.97 5.45 -37.12 2 3 1 34 250.362 4 ↓

Analogs

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Popular Name: (1S)-3-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-1-phenyl-propan-1-ol (1S)-3-[(2S,5R)-2,5-dimethylmorp…

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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) 1.97 3.44 -4.7 1 3 0 33 249.354 4 ↓
Mid Mid (pH 6-8) 1.97 5.63 -36.36 2 3 1 34 250.362 4 ↓

Analogs

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Popular Name: (1S)-3-[(2R)-2-ethylmorpholin-4-yl]-1-phenyl-propan-1-ol (1S)-3-[(2R)-2-ethylmorpholin-4-…

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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 3.67 -4.58 1 3 0 33 249.354 5 ↓
Mid Mid (pH 6-8) 2.14 5.93 -39.05 2 3 1 34 250.362 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-3-[(2S)-2-ethylmorpholin-4-yl]-1-phenyl-propan-1-ol (1S)-3-[(2S)-2-ethylmorpholin-4-…

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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 3.67 -4.39 1 3 0 33 249.354 5 ↓
Mid Mid (pH 6-8) 2.14 5.93 -38.85 2 3 1 34 250.362 5 ↓

Analogs

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Popular Name: (1S)-3-(2,2-dimethylmorpholin-4-yl)-1-phenyl-propan-1-ol (1S)-3-(2,2-dimethylmorpholin-4-…

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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) 2.08 3.75 -4.41 1 3 0 33 249.354 4 ↓
Mid Mid (pH 6-8) 2.08 5.7 -38.03 2 3 1 34 250.362 4 ↓

Analogs

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Popular Name: (1R)-3-(2,2-dimethylmorpholin-4-yl)-1-phenyl-propan-1-ol (1R)-3-(2,2-dimethylmorpholin-4-…

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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) 2.08 3.72 -4.61 1 3 0 33 249.354 4 ↓
Mid Mid (pH 6-8) 2.08 5.68 -38.21 2 3 1 34 250.362 4 ↓

Analogs

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Popular Name: (1S)-3-[(3R)-3-ethylmorpholin-4-yl]-1-phenyl-propan-1-ol (1S)-3-[(3R)-3-ethylmorpholin-4-…

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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 3.33 -4.6 1 3 0 33 249.354 5 ↓
Mid Mid (pH 6-8) 2.14 5.49 -36.64 2 3 1 34 250.362 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-3-[(3S)-3-ethylmorpholin-4-yl]-1-phenyl-propan-1-ol (1S)-3-[(3S)-3-ethylmorpholin-4-…

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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 3.34 -4.44 1 3 0 33 249.354 5 ↓
Mid Mid (pH 6-8) 2.14 5.5 -36.5 2 3 1 34 250.362 5 ↓

Analogs

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Popular Name: (1S)-N-methyl-3-[(3R)-3-methylmorpholin-4-yl]-1-phenyl-propan-1-amine (1S)-N-methyl-3-[(3R)-3-methylmo…

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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) 1.25 3.74 -3.27 1 3 0 24 248.37 5 ↓
Mid Mid (pH 6-8) 1.25 4.85 -41.58 2 3 1 29 249.378 5 ↓
Lo Low (pH 4.5-6) 1.25 5.93 -33.28 2 3 1 26 249.378 5 ↓

Parameters Provided:

ring.id = 32543
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 = 32543 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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