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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[3-(morpholinomethyl)-2-furyl]methanamine N-methyl-1-[3-(morpholinomethyl)…

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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) 0.33 1.66 -38.28 2 4 1 42 211.285 4 ↓
Mid Mid (pH 6-8) 0.33 4.15 -107.48 3 4 2 43 212.293 4 ↓

Analogs

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Popular Name: N-[[3-(morpholinomethyl)-2-furyl]methyl]ethanamine N-[[3-(morpholinomethyl)-2-furyl…

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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) 0.71 2.52 -37.26 2 4 1 42 225.312 5 ↓
Mid Mid (pH 6-8) 0.71 5 -107.32 3 4 2 43 226.32 5 ↓

Analogs

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Popular Name: N-[[3-(morpholinomethyl)-2-furyl]methyl]propan-1-amine N-[[3-(morpholinomethyl)-2-furyl…

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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 3.27 -37.96 2 4 1 42 239.339 6 ↓
Mid Mid (pH 6-8) 1.21 5.76 -109.3 3 4 2 43 240.347 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-(morpholinomethyl)-2-furyl]methyl]propan-2-amine N-[[3-(morpholinomethyl)-2-furyl…

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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) 1.00 3.05 -35.47 2 4 1 42 239.339 5 ↓
Mid Mid (pH 6-8) 1.00 5.54 -106.76 3 4 2 43 240.347 5 ↓

Analogs

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Popular Name: [3-(morpholinomethyl)-2-furyl]methanamine [3-(morpholinomethyl)-2-furyl]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) -0.04 -0.22 -43.57 3 4 1 53 197.258 3 ↓
Mid Mid (pH 6-8) -0.04 2.28 -113.79 4 4 2 54 198.266 3 ↓

Analogs

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Popular Name: [5-methyl-4-(morpholinomethyl)-2-furyl]methanamine [5-methyl-4-(morpholinomethyl)-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) 0.18 0.68 -45.19 3 4 1 53 211.285 3 ↓
Mid Mid (pH 6-8) 0.18 2.98 -94.67 4 4 2 54 212.293 3 ↓

Analogs

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Popular Name: N-methyl-1-[5-methyl-4-(morpholinomethyl)-2-furyl]methanamine N-methyl-1-[5-methyl-4-(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) 0.55 2.56 -39.68 2 4 1 42 225.312 4 ↓
Mid Mid (pH 6-8) 0.55 4.85 -89.99 3 4 2 43 226.32 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-methyl-4-(morpholinomethyl)-2-furyl]methyl]ethanamine N-[[5-methyl-4-(morpholinomethyl…

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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 3.4 -38.82 2 4 1 42 239.339 5 ↓
Mid Mid (pH 6-8) 0.93 5.64 -89.86 3 4 2 43 240.347 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-methyl-4-(morpholinomethyl)-2-furyl]methyl]propan-1-amine N-[[5-methyl-4-(morpholinomethyl…

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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) 1.43 4.15 -39.65 2 4 1 42 253.366 6 ↓
Mid Mid (pH 6-8) 1.43 6.39 -91.31 3 4 2 43 254.374 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-methyl-4-(morpholinomethyl)-2-furyl]methyl]propan-2-amine N-[[5-methyl-4-(morpholinomethyl…

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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) 1.23 3.94 -37.01 2 4 1 42 253.366 5 ↓
Mid Mid (pH 6-8) 1.23 6.23 -88.58 3 4 2 43 254.374 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[5-methyl-4-(morpholinomethyl)-2-furyl]methyl]propan-2-amine 2-methyl-N-[[5-methyl-4-(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) 1.74 4.35 -35.33 2 4 1 42 267.393 5 ↓
Mid Mid (pH 6-8) 1.74 6.64 -87.73 3 4 2 43 268.401 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[5-methyl-4-(morpholinomethyl)-2-furyl]methyl]propan-1-amine 2-methyl-N-[[5-methyl-4-(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) 1.68 4.86 -39.64 2 4 1 42 267.393 6 ↓
Mid Mid (pH 6-8) 1.68 7.15 -91.98 3 4 2 43 268.401 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[3-(morpholinomethyl)-2-furyl]methyl]propan-1-amine 2-methyl-N-[[3-(morpholinomethyl…

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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) 1.45 3.96 -37.9 2 4 1 42 253.366 6 ↓
Mid Mid (pH 6-8) 1.45 6.47 -109.38 3 4 2 43 254.374 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[3-(morpholinomethyl)-2-furyl]methyl]propan-2-amine 2-methyl-N-[[3-(morpholinomethyl…

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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) 1.52 3.47 -33.62 2 4 1 42 253.366 5 ↓
Mid Mid (pH 6-8) 1.52 5.95 -104.19 3 4 2 43 254.374 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-furyl]-N-methyl-methanamine 1-[3-[[(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) 1.06 3.15 -38.71 2 4 1 42 239.339 4 ↓
Mid Mid (pH 6-8) 1.06 5.65 -109.84 3 4 2 43 240.347 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-furyl]-N-methyl-methanamine 1-[3-[[(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) 1.06 3.46 -39.25 2 4 1 42 239.339 4 ↓
Mid Mid (pH 6-8) 1.06 5.6 -108.12 3 4 2 43 240.347 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-furyl]-N-methyl-methanamine 1-[3-[[(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) 1.06 3.46 -39.26 2 4 1 42 239.339 4 ↓
Mid Mid (pH 6-8) 1.06 5.62 -107.86 3 4 2 43 240.347 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-furyl]methyl]ethanamine N-[[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) 1.43 4.01 -39.72 2 4 1 42 253.366 5 ↓
Mid Mid (pH 6-8) 1.43 6.31 -109.34 3 4 2 43 254.374 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-furyl]methyl]ethanamine N-[[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) 1.43 4.32 -38.06 2 4 1 42 253.366 5 ↓
Mid Mid (pH 6-8) 1.43 6.47 -107.51 3 4 2 43 254.374 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-furyl]methyl]ethanamine N-[[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) 1.43 4.32 -38.13 2 4 1 42 253.366 5 ↓
Mid Mid (pH 6-8) 1.43 6.45 -107.79 3 4 2 43 254.374 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-furyl]methyl]propan-1-amine N-[[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) 1.94 4.77 -40.45 2 4 1 42 267.393 6 ↓
Mid Mid (pH 6-8) 1.94 7.07 -111.22 3 4 2 43 268.401 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-furyl]methyl]propan-1-amine N-[[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) 1.94 5.07 -38.76 2 4 1 42 267.393 6 ↓
Mid Mid (pH 6-8) 1.94 7.23 -109.44 3 4 2 43 268.401 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-furyl]methyl]propan-1-amine N-[[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) 1.94 5.07 -38.72 2 4 1 42 267.393 6 ↓
Mid Mid (pH 6-8) 1.94 7.22 -109.72 3 4 2 43 268.401 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-furyl]methyl]propan-2-amine N-[[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) 1.73 4.53 -35.95 2 4 1 42 267.393 5 ↓
Mid Mid (pH 6-8) 1.73 7.03 -109.09 3 4 2 43 268.401 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-furyl]methyl]propan-2-amine N-[[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) 1.73 4.85 -36.22 2 4 1 42 267.393 5 ↓
Mid Mid (pH 6-8) 1.73 6.97 -107.18 3 4 2 43 268.401 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-furyl]methyl]propan-2-amine N-[[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) 1.73 4.84 -36.3 2 4 1 42 267.393 5 ↓
Mid Mid (pH 6-8) 1.73 7.01 -106.73 3 4 2 43 268.401 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-furyl]methanamine [3-[[(2S,6R)-2,6-dimethylmorphol…

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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) 0.68 1.28 -44.02 3 4 1 53 225.312 3 ↓
Mid Mid (pH 6-8) 0.68 3.78 -116.36 4 4 2 54 226.32 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-furyl]methanamine [3-[[(2S,6S)-2,6-dimethylmorphol…

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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) 0.68 1.58 -44.54 3 4 1 53 225.312 3 ↓
Mid Mid (pH 6-8) 0.68 3.72 -114.62 4 4 2 54 226.32 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-furyl]methanamine [3-[[(2R,6R)-2,6-dimethylmorphol…

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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) 0.68 1.58 -44.64 3 4 1 53 225.312 3 ↓
Mid Mid (pH 6-8) 0.68 3.75 -114.45 4 4 2 54 226.32 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-5-methyl-2-furyl]methanamine [4-[[(2S,6R)-2,6-dimethylmorphol…

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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) 0.90 2.13 -46.11 3 4 1 53 239.339 3 ↓
Mid Mid (pH 6-8) 0.90 4.43 -98.56 4 4 2 54 240.347 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-5-methyl-2-furyl]methanamine [4-[[(2R,6R)-2,6-dimethylmorphol…

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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) 0.90 2.46 -44.99 3 4 1 53 239.339 3 ↓
Mid Mid (pH 6-8) 0.90 4.44 -95.44 4 4 2 54 240.347 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-5-methyl-2-furyl]methanamine [4-[[(2S,6S)-2,6-dimethylmorphol…

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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) 0.90 2.46 -45.12 3 4 1 53 239.339 3 ↓
Mid Mid (pH 6-8) 0.90 4.43 -95.49 4 4 2 54 240.347 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-5-methyl-2-furyl]-N-methyl-methanamine 1-[4-[[(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) 1.28 4 -40.57 2 4 1 42 253.366 4 ↓
Mid Mid (pH 6-8) 1.28 6.3 -93.65 3 4 2 43 254.374 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-5-methyl-2-furyl]-N-methyl-methanamine 1-[4-[[(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) 1.28 4.33 -39.49 2 4 1 42 253.366 4 ↓
Mid Mid (pH 6-8) 1.28 6.32 -90.77 3 4 2 43 254.374 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-5-methyl-2-furyl]-N-methyl-methanamine 1-[4-[[(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) 1.28 4.33 -39.66 2 4 1 42 253.366 4 ↓
Mid Mid (pH 6-8) 1.28 6.31 -90.83 3 4 2 43 254.374 4 ↓

Analogs

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Popular Name: N-[[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-5-methyl-2-furyl]methyl]ethanamine N-[[4-[[(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) 1.66 4.85 -39.66 2 4 1 42 267.393 5 ↓
Mid Mid (pH 6-8) 1.66 7.16 -93.42 3 4 2 43 268.401 5 ↓

Analogs

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Popular Name: N-[[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-5-methyl-2-furyl]methyl]ethanamine N-[[4-[[(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) 1.66 5.17 -38.63 2 4 1 42 267.393 5 ↓
Mid Mid (pH 6-8) 1.66 7.1 -90.67 3 4 2 43 268.401 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-5-methyl-2-furyl]methyl]ethanamine N-[[4-[[(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) 1.66 5.17 -38.84 2 4 1 42 267.393 5 ↓
Mid Mid (pH 6-8) 1.66 7.09 -90.81 3 4 2 43 268.401 5 ↓

Analogs

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Popular Name: N-[[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-5-methyl-2-furyl]methyl]propan-1-amine N-[[4-[[(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) 2.16 5.6 -40.47 2 4 1 42 281.42 6 ↓
Mid Mid (pH 6-8) 2.16 7.91 -94.99 3 4 2 43 282.428 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-5-methyl-2-furyl]methyl]propan-1-amine N-[[4-[[(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) 2.16 5.92 -39.4 2 4 1 42 281.42 6 ↓
Mid Mid (pH 6-8) 2.16 7.86 -92.17 3 4 2 43 282.428 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-5-methyl-2-furyl]methyl]propan-1-amine N-[[4-[[(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) 2.16 5.92 -39.63 2 4 1 42 281.42 6 ↓
Mid Mid (pH 6-8) 2.16 7.85 -92.21 3 4 2 43 282.428 6 ↓

Analogs

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Popular Name: N-[[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-5-methyl-2-furyl]methyl]propan-2-amine N-[[4-[[(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) 1.95 5.38 -37.79 2 4 1 42 281.42 5 ↓
Mid Mid (pH 6-8) 1.95 7.67 -92.87 3 4 2 43 282.428 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-5-methyl-2-furyl]methyl]propan-2-amine N-[[4-[[(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) 1.95 5.71 -36.81 2 4 1 42 281.42 5 ↓
Mid Mid (pH 6-8) 1.95 7.7 -89.91 3 4 2 43 282.428 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-5-methyl-2-furyl]methyl]propan-2-amine N-[[4-[[(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) 1.95 5.71 -37.04 2 4 1 42 281.42 5 ↓
Mid Mid (pH 6-8) 1.95 7.69 -90.01 3 4 2 43 282.428 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-5-methyl-2-furyl]methyl]-2-methyl-propan-2-amine N-[[4-[[(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) 2.46 5.79 -36.16 2 4 1 42 295.447 5 ↓
Mid Mid (pH 6-8) 2.46 8.09 -91.45 3 4 2 43 296.455 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-5-methyl-2-furyl]methyl]-2-methyl-propan-2-amine N-[[4-[[(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) 2.46 6.14 -35.19 2 4 1 42 295.447 5 ↓
Mid Mid (pH 6-8) 2.46 8.1 -88.57 3 4 2 43 296.455 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-5-methyl-2-furyl]methyl]-2-methyl-propan-2-amine N-[[4-[[(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) 2.46 6.12 -35.27 2 4 1 42 295.447 5 ↓
Mid Mid (pH 6-8) 2.46 8.1 -88.56 3 4 2 43 296.455 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-5-methyl-2-furyl]methyl]-2-methyl-propan-1-amine N-[[4-[[(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) 2.40 6.3 -40.55 2 4 1 42 295.447 6 ↓
Mid Mid (pH 6-8) 2.40 8.61 -95.64 3 4 2 43 296.455 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-5-methyl-2-furyl]methyl]-2-methyl-propan-1-amine N-[[4-[[(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) 2.40 6.64 -39.51 2 4 1 42 295.447 6 ↓
Mid Mid (pH 6-8) 2.40 8.62 -92.75 3 4 2 43 296.455 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-5-methyl-2-furyl]methyl]-2-methyl-propan-1-amine N-[[4-[[(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) 2.40 6.64 -39.68 2 4 1 42 295.447 6 ↓
Mid Mid (pH 6-8) 2.40 8.61 -92.82 3 4 2 43 296.455 6 ↓

Parameters Provided:

ring.id = 225084
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 = 225084 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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