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Analogs

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Popular Name: 2,2,2-trifluoro-1-[1-(2-morpholinoethyl)triazol-4-yl]ethanone 2,2,2-trifluoro-1-[1-(2-morpholi…

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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) 0.42 1.29 -9.38 0 6 0 60 278.234 5 ↓
Mid Mid (pH 6-8) 0.42 3.56 -51.85 1 6 1 61 279.242 5 ↓

Analogs

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Popular Name: N-methyl-1-[1-(2-morpholinoethyl)triazol-4-yl]methanamine N-methyl-1-[1-(2-morpholinoethyl…

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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) -0.47 0.22 -44.64 2 6 1 60 226.304 5 ↓
Hi High (pH 8-9.5) -0.47 -1.24 -8.87 1 6 0 55 225.296 5 ↓
Mid Mid (pH 6-8) -0.47 2.49 -97.94 3 6 2 61 227.312 5 ↓

Analogs

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Popular Name: 1-[1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]triazol-4-yl]-N-methyl-methanamine 1-[1-[2-[(2S,6R)-2,6-dimethylmor…

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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) 0.25 1.71 -44.82 2 6 1 60 254.358 5 ↓
Hi High (pH 8-9.5) 0.25 0.26 -10.4 1 6 0 55 253.35 5 ↓
Mid Mid (pH 6-8) 0.25 3.98 -99.63 3 6 2 61 255.366 5 ↓

Analogs

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Popular Name: 1-[1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]triazol-4-yl]-N-methyl-methanamine 1-[1-[2-[(2S,6S)-2,6-dimethylmor…

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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) 0.25 2.01 -44.69 2 6 1 60 254.358 5 ↓
Hi High (pH 8-9.5) 0.25 0.55 -10.26 1 6 0 55 253.35 5 ↓
Mid Mid (pH 6-8) 0.25 3.93 -98.54 3 6 2 61 255.366 5 ↓

Analogs

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Popular Name: 1-[1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]triazol-4-yl]-N-methyl-methanamine 1-[1-[2-[(2R,6R)-2,6-dimethylmor…

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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) 0.25 2 -44.75 2 6 1 60 254.358 5 ↓
Hi High (pH 8-9.5) 0.25 0.54 -10.31 1 6 0 55 253.35 5 ↓
Mid Mid (pH 6-8) 0.25 3.95 -98.57 3 6 2 61 255.366 5 ↓

Analogs

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

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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) 0.63 2.57 -44.23 2 6 1 60 268.385 6 ↓
Hi High (pH 8-9.5) 0.63 1.19 -8.59 1 6 0 55 267.377 6 ↓
Mid Mid (pH 6-8) 0.63 4.84 -99.08 3 6 2 61 269.393 6 ↓

Analogs

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

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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) 0.63 2.86 -43.98 2 6 1 60 268.385 6 ↓
Hi High (pH 8-9.5) 0.63 1.48 -8.47 1 6 0 55 267.377 6 ↓
Mid Mid (pH 6-8) 0.63 4.82 -98.47 3 6 2 61 269.393 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 0.63 2.86 -43.95 2 6 1 60 268.385 6 ↓
Hi High (pH 8-9.5) 0.63 1.48 -8.45 1 6 0 55 267.377 6 ↓
Mid Mid (pH 6-8) 0.63 4.81 -98.42 3 6 2 61 269.393 6 ↓

Analogs

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Popular Name: N-[[1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]triazol-4-yl]methyl]propan-1-amine N-[[1-[2-[(2S,6R)-2,6-dimethylmo…

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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 3.32 -45.03 2 6 1 60 282.412 7 ↓
Mid Mid (pH 6-8) 1.13 5.59 -100.29 3 6 2 61 283.42 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]triazol-4-yl]methyl]propan-1-amine N-[[1-[2-[(2R,6R)-2,6-dimethylmo…

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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 3.61 -44.78 2 6 1 60 282.412 7 ↓
Mid Mid (pH 6-8) 1.13 5.57 -99.65 3 6 2 61 283.42 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]triazol-4-yl]methyl]propan-1-amine N-[[1-[2-[(2S,6S)-2,6-dimethylmo…

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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 3.61 -44.76 2 6 1 60 282.412 7 ↓
Mid Mid (pH 6-8) 1.13 5.56 -99.65 3 6 2 61 283.42 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]triazol-4-yl]methyl]propan-2-amine N-[[1-[2-[(2S,6R)-2,6-dimethylmo…

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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) 0.93 3.08 -42.95 2 6 1 60 282.412 6 ↓
Hi High (pH 8-9.5) 0.93 1.9 -9.95 1 6 0 55 281.404 6 ↓
Mid Mid (pH 6-8) 0.93 5.35 -97.92 3 6 2 61 283.42 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]triazol-4-yl]methyl]propan-2-amine N-[[1-[2-[(2S,6S)-2,6-dimethylmo…

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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) 0.93 3.38 -42.86 2 6 1 60 282.412 6 ↓
Hi High (pH 8-9.5) 0.93 2.19 -9.81 1 6 0 55 281.404 6 ↓
Mid Mid (pH 6-8) 0.93 5.31 -96.92 3 6 2 61 283.42 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]triazol-4-yl]methyl]propan-2-amine N-[[1-[2-[(2R,6R)-2,6-dimethylmo…

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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) 0.93 3.37 -42.89 2 6 1 60 282.412 6 ↓
Hi High (pH 8-9.5) 0.93 2.18 -9.82 1 6 0 55 281.404 6 ↓
Mid Mid (pH 6-8) 0.93 5.32 -96.91 3 6 2 61 283.42 6 ↓

Analogs

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Popular Name: N-[[1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]triazol-4-yl]methyl]-2-methyl-propan-2-amine N-[[1-[2-[(2S,6R)-2,6-dimethylmo…

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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 3.52 -40.73 2 6 1 60 296.439 6 ↓
Hi High (pH 8-9.5) 1.44 2.28 -9.88 1 6 0 55 295.431 6 ↓
Mid Mid (pH 6-8) 1.44 5.79 -97.2 3 6 2 61 297.447 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]triazol-4-yl]methyl]-2-methyl-propan-2-amine N-[[1-[2-[(2S,6S)-2,6-dimethylmo…

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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 3.79 -40.67 2 6 1 60 296.439 6 ↓
Hi High (pH 8-9.5) 1.44 2.57 -9.73 1 6 0 55 295.431 6 ↓
Mid Mid (pH 6-8) 1.44 5.73 -96.2 3 6 2 61 297.447 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]triazol-4-yl]methyl]-2-methyl-propan-2-amine N-[[1-[2-[(2R,6R)-2,6-dimethylmo…

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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 3.81 -40.74 2 6 1 60 296.439 6 ↓
Hi High (pH 8-9.5) 1.44 2.57 -9.82 1 6 0 55 295.431 6 ↓
Mid Mid (pH 6-8) 1.44 5.76 -96.21 3 6 2 61 297.447 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]triazol-4-yl]methyl]-2-methyl-propan-1-amine N-[[1-[2-[(2S,6R)-2,6-dimethylmo…

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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) 1.38 4.02 -44.71 2 6 1 60 296.439 7 ↓
Mid Mid (pH 6-8) 1.38 6.29 -101.35 3 6 2 61 297.447 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]triazol-4-yl]methyl]-2-methyl-propan-1-amine N-[[1-[2-[(2S,6S)-2,6-dimethylmo…

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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) 1.38 4.31 -44.64 2 6 1 60 296.439 7 ↓
Mid Mid (pH 6-8) 1.38 6.24 -100.36 3 6 2 61 297.447 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]triazol-4-yl]methyl]-2-methyl-propan-1-amine N-[[1-[2-[(2R,6R)-2,6-dimethylmo…

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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) 1.38 4.3 -44.67 2 6 1 60 296.439 7 ↓
Mid Mid (pH 6-8) 1.38 6.26 -100.31 3 6 2 61 297.447 7 ↓

Analogs

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Popular Name: [1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]triazol-4-yl]methanamine [1-[2-[(2S,6R)-2,6-dimethylmorph…

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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) -0.12 -0.16 -49.96 3 6 1 71 240.331 4 ↓
Hi High (pH 8-9.5) -0.12 -0.57 -9.09 2 6 0 69 239.323 4 ↓
Mid Mid (pH 6-8) -0.12 2.11 -104.22 4 6 2 72 241.339 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]triazol-4-yl]methanamine [1-[2-[(2S,6S)-2,6-dimethylmorph…

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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) -0.12 0.13 -49.86 3 6 1 71 240.331 4 ↓
Hi High (pH 8-9.5) -0.12 -0.27 -8.95 2 6 0 69 239.323 4 ↓
Mid Mid (pH 6-8) -0.12 2.06 -103.21 4 6 2 72 241.339 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]triazol-4-yl]methanamine [1-[2-[(2R,6R)-2,6-dimethylmorph…

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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) -0.12 0.12 -49.9 3 6 1 71 240.331 4 ↓
Hi High (pH 8-9.5) -0.12 -0.28 -8.99 2 6 0 69 239.323 4 ↓
Mid Mid (pH 6-8) -0.12 2.08 -103.24 4 6 2 72 241.339 4 ↓

Analogs

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Popular Name: N-methyl-1-[1-[2-[(2R)-2-methylmorpholin-4-yl]ethyl]triazol-4-yl]methanamine N-methyl-1-[1-[2-[(2R)-2-methylm…

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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) -0.11 0.96 -44.72 2 6 1 60 240.331 5 ↓
Hi High (pH 8-9.5) -0.11 -0.49 -10.51 1 6 0 55 239.323 5 ↓
Mid Mid (pH 6-8) -0.11 3.24 -98.79 3 6 2 61 241.339 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[1-[2-[(2S)-2-methylmorpholin-4-yl]ethyl]triazol-4-yl]methanamine N-methyl-1-[1-[2-[(2S)-2-methylm…

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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) -0.11 0.96 -44.81 2 6 1 60 240.331 5 ↓
Hi High (pH 8-9.5) -0.11 -0.49 -10.53 1 6 0 55 239.323 5 ↓
Mid Mid (pH 6-8) -0.11 3.24 -98.45 3 6 2 61 241.339 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[2-[(2R)-2-methylmorpholin-4-yl]ethyl]triazol-4-yl]methyl]ethanamine N-[[1-[2-[(2R)-2-methylmorpholin…

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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) 0.27 1.82 -44 2 6 1 60 254.358 6 ↓
Hi High (pH 8-9.5) 0.27 0.44 -8.65 1 6 0 55 253.35 6 ↓
Mid Mid (pH 6-8) 0.27 4.1 -98.61 3 6 2 61 255.366 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[2-[(2S)-2-methylmorpholin-4-yl]ethyl]triazol-4-yl]methyl]ethanamine N-[[1-[2-[(2S)-2-methylmorpholin…

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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) 0.27 1.82 -44.1 2 6 1 60 254.358 6 ↓
Hi High (pH 8-9.5) 0.27 0.44 -8.61 1 6 0 55 253.35 6 ↓
Mid Mid (pH 6-8) 0.27 4.1 -98.3 3 6 2 61 255.366 6 ↓

Analogs

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Popular Name: N-[[1-[2-[(2R)-2-methylmorpholin-4-yl]ethyl]triazol-4-yl]methyl]propan-1-amine N-[[1-[2-[(2R)-2-methylmorpholin…

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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) 0.77 2.57 -44.75 2 6 1 60 268.385 7 ↓
Mid Mid (pH 6-8) 0.77 4.85 -99.78 3 6 2 61 269.393 7 ↓

Analogs

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Popular Name: N-[[1-[2-[(2S)-2-methylmorpholin-4-yl]ethyl]triazol-4-yl]methyl]propan-1-amine N-[[1-[2-[(2S)-2-methylmorpholin…

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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) 0.77 2.57 -44.9 2 6 1 60 268.385 7 ↓
Mid Mid (pH 6-8) 0.77 4.85 -99.55 3 6 2 61 269.393 7 ↓

Analogs

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Popular Name: N-[[1-[2-[(2R)-2-methylmorpholin-4-yl]ethyl]triazol-4-yl]methyl]propan-2-amine N-[[1-[2-[(2R)-2-methylmorpholin…

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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) 0.56 2.34 -42.83 2 6 1 60 268.385 6 ↓
Hi High (pH 8-9.5) 0.56 1.15 -10.02 1 6 0 55 267.377 6 ↓
Mid Mid (pH 6-8) 0.56 4.61 -97.13 3 6 2 61 269.393 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[2-[(2S)-2-methylmorpholin-4-yl]ethyl]triazol-4-yl]methyl]propan-2-amine N-[[1-[2-[(2S)-2-methylmorpholin…

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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) 0.56 2.34 -42.93 2 6 1 60 268.385 6 ↓
Hi High (pH 8-9.5) 0.56 1.15 -10.14 1 6 0 55 267.377 6 ↓
Mid Mid (pH 6-8) 0.56 4.62 -96.88 3 6 2 61 269.393 6 ↓

Analogs

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Popular Name: 2-methyl-N-[[1-[2-[(2R)-2-methylmorpholin-4-yl]ethyl]triazol-4-yl]methyl]propan-2-amine 2-methyl-N-[[1-[2-[(2R)-2-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) 1.07 2.77 -40.63 2 6 1 60 282.412 6 ↓
Hi High (pH 8-9.5) 1.07 1.53 -9.94 1 6 0 55 281.404 6 ↓
Mid Mid (pH 6-8) 1.07 5.05 -96.41 3 6 2 61 283.42 6 ↓

Analogs

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Popular Name: 2-methyl-N-[[1-[2-[(2S)-2-methylmorpholin-4-yl]ethyl]triazol-4-yl]methyl]propan-2-amine 2-methyl-N-[[1-[2-[(2S)-2-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) 1.07 2.75 -40.8 2 6 1 60 282.412 6 ↓
Hi High (pH 8-9.5) 1.07 1.53 -9.96 1 6 0 55 281.404 6 ↓
Mid Mid (pH 6-8) 1.07 5.04 -96.06 3 6 2 61 283.42 6 ↓

Analogs

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Popular Name: 2-methyl-N-[[1-[2-[(2R)-2-methylmorpholin-4-yl]ethyl]triazol-4-yl]methyl]propan-1-amine 2-methyl-N-[[1-[2-[(2R)-2-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) 1.01 3.27 -44.59 2 6 1 60 282.412 7 ↓
Mid Mid (pH 6-8) 1.01 5.54 -100.11 3 6 2 61 283.42 7 ↓

Analogs

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Popular Name: 2-methyl-N-[[1-[2-[(2S)-2-methylmorpholin-4-yl]ethyl]triazol-4-yl]methyl]propan-1-amine 2-methyl-N-[[1-[2-[(2S)-2-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) 1.01 3.27 -44.73 2 6 1 60 282.412 7 ↓
Mid Mid (pH 6-8) 1.01 5.54 -99.8 3 6 2 61 283.42 7 ↓

Analogs

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Popular Name: [1-[2-[(2R)-2-methylmorpholin-4-yl]ethyl]triazol-4-yl]methanamine [1-[2-[(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) -0.48 -0.91 -49.87 3 6 1 71 226.304 4 ↓
Hi High (pH 8-9.5) -0.48 -1.31 -9.13 2 6 0 69 225.296 4 ↓
Mid Mid (pH 6-8) -0.48 1.36 -103.44 4 6 2 72 227.312 4 ↓

Analogs

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Popular Name: [1-[2-[(2S)-2-methylmorpholin-4-yl]ethyl]triazol-4-yl]methanamine [1-[2-[(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) -0.48 -0.91 -50.06 3 6 1 71 226.304 4 ↓
Hi High (pH 8-9.5) -0.48 -1.31 -9.16 2 6 0 69 225.296 4 ↓
Mid Mid (pH 6-8) -0.48 1.36 -103.1 4 6 2 72 227.312 4 ↓

Analogs

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Popular Name: N-methyl-1-[1-[2-[(3R)-3-methylmorpholin-4-yl]ethyl]triazol-4-yl]methanamine N-methyl-1-[1-[2-[(3R)-3-methylm…

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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) -0.14 0.82 -44.65 2 6 1 60 240.331 5 ↓
Mid Mid (pH 6-8) -0.14 3 -96.07 3 6 2 61 241.339 5 ↓

Analogs

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Popular Name: N-methyl-1-[1-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]triazol-4-yl]methanamine N-methyl-1-[1-[2-[(3S)-3-methylm…

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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) -0.14 0.82 -44.53 2 6 1 60 240.331 5 ↓
Mid Mid (pH 6-8) -0.14 3 -96.11 3 6 2 61 241.339 5 ↓

Analogs

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Popular Name: N-[[1-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]triazol-4-yl]methyl]ethanamine N-[[1-[2-[(3S)-3-methylmorpholin…

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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) 0.23 1.68 -43.82 2 6 1 60 254.358 6 ↓
Mid Mid (pH 6-8) 0.23 3.86 -95.96 3 6 2 61 255.366 6 ↓

Analogs

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Popular Name: N-[[1-[2-[(3R)-3-methylmorpholin-4-yl]ethyl]triazol-4-yl]methyl]ethanamine N-[[1-[2-[(3R)-3-methylmorpholin…

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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) 0.23 1.68 -43.82 2 6 1 60 254.358 6 ↓
Mid Mid (pH 6-8) 0.23 3.86 -95.9 3 6 2 61 255.366 6 ↓

Analogs

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

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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) 0.74 2.43 -44.6 2 6 1 60 268.385 7 ↓
Mid Mid (pH 6-8) 0.74 4.62 -97.19 3 6 2 61 269.393 7 ↓

Analogs

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

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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) 0.74 2.43 -44.68 2 6 1 60 268.385 7 ↓
Mid Mid (pH 6-8) 0.74 4.63 -97.07 3 6 2 61 269.393 7 ↓

Analogs

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

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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 2.19 -41.89 2 6 1 60 268.385 6 ↓
Mid Mid (pH 6-8) 0.53 4.38 -95.36 3 6 2 61 269.393 6 ↓

Analogs

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

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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 2.2 -41.83 2 6 1 60 268.385 6 ↓
Mid Mid (pH 6-8) 0.53 4.39 -95.38 3 6 2 61 269.393 6 ↓

Analogs

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Popular Name: 2-methyl-N-[[1-[2-[(3R)-3-methylmorpholin-4-yl]ethyl]triazol-4-yl]methyl]propan-2-amine 2-methyl-N-[[1-[2-[(3R)-3-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) 1.04 2.62 -40.59 2 6 1 60 282.412 6 ↓
Mid Mid (pH 6-8) 1.04 4.81 -93.66 3 6 2 61 283.42 6 ↓

Analogs

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Popular Name: 2-methyl-N-[[1-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]triazol-4-yl]methyl]propan-2-amine 2-methyl-N-[[1-[2-[(3S)-3-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) 1.04 2.63 -40.49 2 6 1 60 282.412 6 ↓
Mid Mid (pH 6-8) 1.04 4.8 -93.71 3 6 2 61 283.42 6 ↓

Analogs

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Popular Name: 2-methyl-N-[[1-[2-[(3R)-3-methylmorpholin-4-yl]ethyl]triazol-4-yl]methyl]propan-1-amine 2-methyl-N-[[1-[2-[(3R)-3-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) 0.98 3.12 -44.83 2 6 1 60 282.412 7 ↓
Mid Mid (pH 6-8) 0.98 5.31 -97.33 3 6 2 61 283.42 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[1-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]triazol-4-yl]methyl]propan-1-amine 2-methyl-N-[[1-[2-[(3S)-3-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) 0.98 3.12 -44.79 2 6 1 60 282.412 7 ↓
Mid Mid (pH 6-8) 0.98 5.31 -97.47 3 6 2 61 283.42 7 ↓

Analogs

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Popular Name: [1-[2-[(3R)-3-methylmorpholin-4-yl]ethyl]triazol-4-yl]methanamine [1-[2-[(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) -0.52 -1.06 -49.76 3 6 1 71 226.304 4 ↓
Mid Mid (pH 6-8) -0.52 1.13 -100.74 4 6 2 72 227.312 4 ↓

Parameters Provided:

ring.id = 47764
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 = 47764 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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