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Analogs

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Popular Name: N-(2-furylmethyl)-2-methyl-2-morpholino-propan-1-amine N-(2-furylmethyl)-2-methyl-2-mor…

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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 3.37 -41.08 2 4 1 42 239.339 5 ↓
Lo Low (pH 4.5-6) 1.44 5.35 -117.18 3 4 2 43 240.347 5 ↓

Analogs

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Popular Name: 2-methyl-N-[(5-methyl-2-furyl)methyl]-2-morpholino-propan-1-amine 2-methyl-N-[(5-methyl-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) 1.66 4.34 -40.66 2 4 1 42 253.366 5 ↓
Lo Low (pH 4.5-6) 1.66 6.19 -118.31 3 4 2 43 254.374 5 ↓

Analogs

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Popular Name: N-[(5-bromo-2-furyl)methyl]-2-methyl-2-morpholino-propan-1-amine N-[(5-bromo-2-furyl)methyl]-2-me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.37 4.1 -44.67 2 4 1 42 318.235 5 ↓
Lo Low (pH 4.5-6) 2.37 6.08 -121.96 3 4 2 43 319.243 5 ↓

Analogs

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Popular Name: N-[(1R)-1-(2-furyl)ethyl]-2-methyl-2-morpholino-propan-1-amine N-[(1R)-1-(2-furyl)ethyl]-2-meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.00 4.07 -37.85 2 4 1 42 253.366 5 ↓
Lo Low (pH 4.5-6) 2.00 5.93 -113.58 3 4 2 43 254.374 5 ↓

Analogs

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Popular Name: N-[(1S)-1-(2-furyl)ethyl]-2-methyl-2-morpholino-propan-1-amine N-[(1S)-1-(2-furyl)ethyl]-2-meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.00 4.07 -37.83 2 4 1 42 253.366 5 ↓
Lo Low (pH 4.5-6) 2.00 5.95 -114.97 3 4 2 43 254.374 5 ↓

Analogs

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Popular Name: 2-methyl-N-[(1R)-1-(5-methyl-2-furyl)ethyl]-2-morpholino-propan-1-amine 2-methyl-N-[(1R)-1-(5-methyl-2-f…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.22 4.88 -37.54 2 4 1 42 267.393 5 ↓
Lo Low (pH 4.5-6) 2.22 6.72 -114.45 3 4 2 43 268.401 5 ↓

Analogs

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Popular Name: 2-methyl-N-[(1S)-1-(5-methyl-2-furyl)ethyl]-2-morpholino-propan-1-amine 2-methyl-N-[(1S)-1-(5-methyl-2-f…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.22 4.88 -37.65 2 4 1 42 267.393 5 ↓
Lo Low (pH 4.5-6) 2.22 6.77 -114.84 3 4 2 43 268.401 5 ↓

Analogs

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Popular Name: (2S)-1-isopropoxy-3-[(5-methyl-2-furyl)methyl-(2-morpholinoethyl)amino]propan-2-ol (2S)-1-isopropoxy-3-[(5-methyl-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) 1.18 1.95 -7.35 1 6 0 58 340.464 10 ↓
Mid Mid (pH 6-8) 1.18 4.09 -39.99 2 6 1 60 341.472 10 ↓
Lo Low (pH 4.5-6) 1.18 4.22 -40.93 2 6 1 60 341.472 10 ↓

Analogs

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Popular Name: (2R)-1-isopropoxy-3-[(5-methyl-2-furyl)methyl-(2-morpholinoethyl)amino]propan-2-ol (2R)-1-isopropoxy-3-[(5-methyl-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) 1.18 1.65 -7.32 1 6 0 58 340.464 10 ↓
Mid Mid (pH 6-8) 1.18 3.83 -39.69 2 6 1 60 341.472 10 ↓
Lo Low (pH 4.5-6) 1.18 3.93 -41.29 2 6 1 60 341.472 10 ↓

Analogs

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Popular Name: (2S)-1-isobutoxy-3-[(5-methyl-2-furyl)methyl-(2-morpholinoethyl)amino]propan-2-ol (2S)-1-isobutoxy-3-[(5-methyl-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) 1.56 2.69 -7.18 1 6 0 58 354.491 11 ↓
Mid Mid (pH 6-8) 1.56 4.83 -39.87 2 6 1 60 355.499 11 ↓
Lo Low (pH 4.5-6) 1.56 4.96 -40.69 2 6 1 60 355.499 11 ↓

Analogs

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Popular Name: (2R)-1-isobutoxy-3-[(5-methyl-2-furyl)methyl-(2-morpholinoethyl)amino]propan-2-ol (2R)-1-isobutoxy-3-[(5-methyl-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) 1.56 2.41 -7.15 1 6 0 58 354.491 11 ↓
Mid Mid (pH 6-8) 1.56 4.59 -39.71 2 6 1 60 355.499 11 ↓
Lo Low (pH 4.5-6) 1.56 4.69 -41.14 2 6 1 60 355.499 11 ↓

Analogs

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Popular Name: (2S)-1-[(5-methyl-2-furyl)methyl-(2-morpholinoethyl)amino]butan-2-ol (2S)-1-[(5-methyl-2-furyl)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) 1.33 1.52 -5.81 1 5 0 49 296.411 8 ↓
Mid Mid (pH 6-8) 1.33 3.66 -38.5 2 5 1 50 297.419 8 ↓
Lo Low (pH 4.5-6) 1.33 3.81 -39.36 2 5 1 50 297.419 8 ↓

Analogs

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Popular Name: (2R)-1-[(5-methyl-2-furyl)methyl-(2-morpholinoethyl)amino]butan-2-ol (2R)-1-[(5-methyl-2-furyl)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) 1.33 1.72 -6.18 1 5 0 49 296.411 8 ↓
Mid Mid (pH 6-8) 1.33 3.94 -38.47 2 5 1 50 297.419 8 ↓
Lo Low (pH 4.5-6) 1.33 3.99 -37.98 2 5 1 50 297.419 8 ↓

Analogs

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Popular Name: (2R)-1-[(5-methyl-2-furyl)methyl-(2-morpholinoethyl)amino]hex-5-en-2-ol (2R)-1-[(5-methyl-2-furyl)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) 1.87 2.72 -6.21 1 5 0 49 322.449 10 ↓
Mid Mid (pH 6-8) 1.87 5.58 -38.07 2 5 1 50 323.457 10 ↓
Lo Low (pH 4.5-6) 1.87 4.99 -39.71 2 5 1 50 323.457 10 ↓

Analogs

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Popular Name: (2S)-1-[(5-methyl-2-furyl)methyl-(2-morpholinoethyl)amino]hex-5-en-2-ol (2S)-1-[(5-methyl-2-furyl)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) 1.87 2.81 -5.69 1 5 0 49 322.449 10 ↓
Mid Mid (pH 6-8) 1.87 4.99 -38.75 2 5 1 50 323.457 10 ↓
Lo Low (pH 4.5-6) 1.87 5.09 -40.49 2 5 1 50 323.457 10 ↓

Analogs

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Popular Name: (2R)-1-[(5-methyl-2-furyl)methyl-(2-morpholinoethyl)amino]propan-2-ol (2R)-1-[(5-methyl-2-furyl)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) 0.83 0.81 -4.31 1 5 0 49 282.384 7 ↓
Mid Mid (pH 6-8) 0.83 2.91 -36.91 2 5 1 50 283.392 7 ↓
Lo Low (pH 4.5-6) 0.83 3.09 -39.16 2 5 1 50 283.392 7 ↓

Analogs

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Popular Name: (2S)-1-[(5-methyl-2-furyl)methyl-(2-morpholinoethyl)amino]propan-2-ol (2S)-1-[(5-methyl-2-furyl)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) 0.83 0.69 -5.78 1 5 0 49 282.384 7 ↓
Mid Mid (pH 6-8) 0.83 2.84 -37.08 2 5 1 50 283.392 7 ↓
Lo Low (pH 4.5-6) 0.83 2.98 -39.87 2 5 1 50 283.392 7 ↓

Analogs

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Popular Name: (2S)-1-tert-butoxy-3-[(5-methyl-2-furyl)methyl-(2-morpholinoethyl)amino]propan-2-ol (2S)-1-tert-butoxy-3-[(5-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) 1.62 2.33 -7.33 1 6 0 58 354.491 10 ↓
Mid Mid (pH 6-8) 1.62 4.47 -39.79 2 6 1 60 355.499 10 ↓
Lo Low (pH 4.5-6) 1.62 4.6 -40.72 2 6 1 60 355.499 10 ↓

Analogs

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Popular Name: (2R)-1-tert-butoxy-3-[(5-methyl-2-furyl)methyl-(2-morpholinoethyl)amino]propan-2-ol (2R)-1-tert-butoxy-3-[(5-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) 1.62 2.05 -7.19 1 6 0 58 354.491 10 ↓
Mid Mid (pH 6-8) 1.62 4.22 -39.63 2 6 1 60 355.499 10 ↓
Lo Low (pH 4.5-6) 1.62 4.32 -41.11 2 6 1 60 355.499 10 ↓

Analogs

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Popular Name: (2S)-1-allyloxy-3-[(5-methyl-2-furyl)methyl-(2-morpholinoethyl)amino]propan-2-ol (2S)-1-allyloxy-3-[(5-methyl-2-f…

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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) 1.08 1.77 -7.8 1 6 0 58 338.448 11 ↓
Mid Mid (pH 6-8) 1.08 3.91 -40.57 2 6 1 60 339.456 11 ↓
Lo Low (pH 4.5-6) 1.08 4.04 -41.26 2 6 1 60 339.456 11 ↓

Analogs

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Popular Name: (2R)-1-allyloxy-3-[(5-methyl-2-furyl)methyl-(2-morpholinoethyl)amino]propan-2-ol (2R)-1-allyloxy-3-[(5-methyl-2-f…

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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) 1.08 1.49 -7.63 1 6 0 58 338.448 11 ↓
Mid Mid (pH 6-8) 1.08 3.66 -40.48 2 6 1 60 339.456 11 ↓
Lo Low (pH 4.5-6) 1.08 3.76 -41.72 2 6 1 60 339.456 11 ↓

Analogs

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Popular Name: (2S)-1-[(5-methyl-2-furyl)methyl-(2-morpholinoethyl)amino]-3-prop-2-ynoxy-propan-2-ol (2S)-1-[(5-methyl-2-furyl)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) 0.60 1.74 -9.73 1 6 0 58 336.432 10 ↓
Mid Mid (pH 6-8) 0.60 3.88 -42.93 2 6 1 60 337.44 10 ↓
Lo Low (pH 4.5-6) 0.60 4.01 -43.22 2 6 1 60 337.44 10 ↓

Analogs

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Popular Name: (2R)-1-[(5-methyl-2-furyl)methyl-(2-morpholinoethyl)amino]-3-prop-2-ynoxy-propan-2-ol (2R)-1-[(5-methyl-2-furyl)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) 0.60 1.46 -9.62 1 6 0 58 336.432 10 ↓
Mid Mid (pH 6-8) 0.60 3.63 -42.81 2 6 1 60 337.44 10 ↓
Lo Low (pH 4.5-6) 0.60 3.73 -43.53 2 6 1 60 337.44 10 ↓

Analogs

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

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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) 1.92 3.85 -40.45 2 4 1 42 253.366 5 ↓
Hi High (pH 8-9.5) 1.92 2.68 -4.75 1 4 0 38 252.358 5 ↓
Lo Low (pH 4.5-6) 1.92 6.12 -120.29 3 4 2 43 254.374 5 ↓

Analogs

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

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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) 1.92 4.15 -40.47 2 4 1 42 253.366 5 ↓
Hi High (pH 8-9.5) 1.92 2.98 -4.48 1 4 0 38 252.358 5 ↓
Lo Low (pH 4.5-6) 1.92 6.07 -119.56 3 4 2 43 254.374 5 ↓

Analogs

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

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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) 1.92 4.14 -40.46 2 4 1 42 253.366 5 ↓
Hi High (pH 8-9.5) 1.92 2.97 -4.47 1 4 0 38 252.358 5 ↓
Lo Low (pH 4.5-6) 1.92 6.09 -119.56 3 4 2 43 254.374 5 ↓

Analogs

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Popular Name: N-(2-furylmethyl)-2-[(2R)-2-methylmorpholin-4-yl]ethanamine N-(2-furylmethyl)-2-[(2R)-2-meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.99 2.62 -42.76 2 4 1 42 225.312 5 ↓
Hi High (pH 8-9.5) 0.99 1.25 -4.5 1 4 0 38 224.304 5 ↓
Lo Low (pH 4.5-6) 0.99 4.88 -120.74 3 4 2 43 226.32 5 ↓

Analogs

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Popular Name: N-(2-furylmethyl)-2-[(2S)-2-methylmorpholin-4-yl]ethanamine N-(2-furylmethyl)-2-[(2S)-2-meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.99 2.62 -42.86 2 4 1 42 225.312 5 ↓
Hi High (pH 8-9.5) 0.99 1.25 -4.65 1 4 0 38 224.304 5 ↓
Lo Low (pH 4.5-6) 0.99 4.88 -120.67 3 4 2 43 226.32 5 ↓

Analogs

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

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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) 1.55 3.11 -40.09 2 4 1 42 239.339 5 ↓
Hi High (pH 8-9.5) 1.55 1.93 -4.72 1 4 0 38 238.331 5 ↓
Lo Low (pH 4.5-6) 1.55 5.38 -118.74 3 4 2 43 240.347 5 ↓

Analogs

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

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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) 1.55 3.1 -40.06 2 4 1 42 239.339 5 ↓
Hi High (pH 8-9.5) 1.55 1.92 -4.83 1 4 0 38 238.331 5 ↓
Lo Low (pH 4.5-6) 1.55 5.38 -118.65 3 4 2 43 240.347 5 ↓

Analogs

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Popular Name: (2R)-1-[2-furylmethyl(2-morpholinoethyl)amino]-3-isopropoxy-propan-2-ol (2R)-1-[2-furylmethyl(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) 0.95 0.94 -6.48 1 6 0 58 326.437 10 ↓
Mid Mid (pH 6-8) 0.95 3.01 -40.03 2 6 1 60 327.445 10 ↓
Lo Low (pH 4.5-6) 0.95 3.22 -37.21 2 6 1 60 327.445 10 ↓

Analogs

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Popular Name: (2S)-1-[2-furylmethyl(2-morpholinoethyl)amino]-3-isopropoxy-propan-2-ol (2S)-1-[2-furylmethyl(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) 0.95 0.81 -8.52 1 6 0 58 326.437 10 ↓
Mid Mid (pH 6-8) 0.95 3.28 -40.07 2 6 1 60 327.445 10 ↓
Lo Low (pH 4.5-6) 0.95 3.08 -42.87 2 6 1 60 327.445 10 ↓

Analogs

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Popular Name: N-(2-furylmethyl)-2-[(3R)-3-methylmorpholin-4-yl]ethanamine N-(2-furylmethyl)-2-[(3R)-3-meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.96 2.47 -42.72 2 4 1 42 225.312 5 ↓
Hi High (pH 8-9.5) 0.96 1.1 -4.43 1 4 0 38 224.304 5 ↓
Lo Low (pH 4.5-6) 0.96 4.65 -117.63 3 4 2 43 226.32 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-furylmethyl)-2-[(3S)-3-methylmorpholin-4-yl]ethanamine N-(2-furylmethyl)-2-[(3S)-3-meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.96 2.47 -42.8 2 4 1 42 225.312 5 ↓
Hi High (pH 8-9.5) 0.96 1.1 -4.6 1 4 0 38 224.304 5 ↓
Lo Low (pH 4.5-6) 0.96 4.65 -117.69 3 4 2 43 226.32 5 ↓

Analogs

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

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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 2.96 -39.95 2 4 1 42 239.339 5 ↓
Hi High (pH 8-9.5) 1.52 1.78 -4.64 1 4 0 38 238.331 5 ↓
Lo Low (pH 4.5-6) 1.52 5.15 -115.49 3 4 2 43 240.347 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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 2.96 -39.95 2 4 1 42 239.339 5 ↓
Hi High (pH 8-9.5) 1.52 1.77 -4.82 1 4 0 38 238.331 5 ↓
Lo Low (pH 4.5-6) 1.52 5.15 -115.49 3 4 2 43 240.347 5 ↓

Analogs

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Popular Name: 2-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-N-(2-furylmethyl)ethanamine 2-[(2R,5R)-2,5-dimethylmorpholin…

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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) 1.32 3.06 -42.99 2 4 1 42 239.339 5 ↓
Hi High (pH 8-9.5) 1.32 1.69 -4.22 1 4 0 38 238.331 5 ↓
Lo Low (pH 4.5-6) 1.32 5.23 -120.29 3 4 2 43 240.347 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-N-(2-furylmethyl)ethanamine 2-[(2S,5R)-2,5-dimethylmorpholin…

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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) 1.32 3.22 -43.14 2 4 1 42 239.339 5 ↓
Hi High (pH 8-9.5) 1.32 1.84 -4.38 1 4 0 38 238.331 5 ↓
Lo Low (pH 4.5-6) 1.32 5.41 -119.11 3 4 2 43 240.347 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-N-[(1S)-1-(2-furyl)ethyl]ethanamine 2-[(2R,5R)-2,5-dimethylmorpholin…

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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) 1.88 3.54 -40.2 2 4 1 42 253.366 5 ↓
Hi High (pH 8-9.5) 1.88 2.36 -4.45 1 4 0 38 252.358 5 ↓
Lo Low (pH 4.5-6) 1.88 5.72 -118.17 3 4 2 43 254.374 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-N-[(1S)-1-(2-furyl)ethyl]ethanamine 2-[(2S,5R)-2,5-dimethylmorpholin…

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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) 1.88 3.71 -40.38 2 4 1 42 253.366 5 ↓
Hi High (pH 8-9.5) 1.88 2.53 -4.68 1 4 0 38 252.358 5 ↓
Lo Low (pH 4.5-6) 1.88 5.9 -116.96 3 4 2 43 254.374 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R)-2-ethylmorpholin-4-yl]-N-(2-furylmethyl)ethanamine 2-[(2R)-2-ethylmorpholin-4-yl]-N…

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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) 1.50 3.46 -42.64 2 4 1 42 239.339 6 ↓
Hi High (pH 8-9.5) 1.50 2.09 -4.32 1 4 0 38 238.331 6 ↓
Lo Low (pH 4.5-6) 1.50 5.71 -121.73 3 4 2 43 240.347 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-2-ethylmorpholin-4-yl]-N-(2-furylmethyl)ethanamine 2-[(2S)-2-ethylmorpholin-4-yl]-N…

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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) 1.50 3.46 -42.73 2 4 1 42 239.339 6 ↓
Hi High (pH 8-9.5) 1.50 2.09 -4.51 1 4 0 38 238.331 6 ↓
Lo Low (pH 4.5-6) 1.50 5.71 -121.7 3 4 2 43 240.347 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R)-2-ethylmorpholin-4-yl]-N-[(1S)-1-(2-furyl)ethyl]ethanamine 2-[(2R)-2-ethylmorpholin-4-yl]-N…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.05 3.94 -40.03 2 4 1 42 253.366 6 ↓
Hi High (pH 8-9.5) 2.05 2.77 -4.58 1 4 0 38 252.358 6 ↓
Lo Low (pH 4.5-6) 2.05 6.2 -119.78 3 4 2 43 254.374 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-2-ethylmorpholin-4-yl]-N-[(1S)-1-(2-furyl)ethyl]ethanamine 2-[(2S)-2-ethylmorpholin-4-yl]-N…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.05 3.94 -40 2 4 1 42 253.366 6 ↓
Hi High (pH 8-9.5) 2.05 2.75 -4.65 1 4 0 38 252.358 6 ↓
Lo Low (pH 4.5-6) 2.05 6.21 -119.79 3 4 2 43 254.374 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,2-dimethylmorpholin-4-yl)-N-(2-furylmethyl)ethanamine 2-(2,2-dimethylmorpholin-4-yl)-N…

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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 3.54 -43.05 2 4 1 42 239.339 5 ↓
Hi High (pH 8-9.5) 1.44 2.17 -4.5 1 4 0 38 238.331 5 ↓
Lo Low (pH 4.5-6) 1.44 5.48 -121.53 3 4 2 43 240.347 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-1-(2-furyl)ethanamine (1S)-N-[2-(2,2-dimethylmorpholin…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.00 4.03 -40.35 2 4 1 42 253.366 5 ↓
Hi High (pH 8-9.5) 2.00 2.82 -4.2 1 4 0 38 252.358 5 ↓
Lo Low (pH 4.5-6) 2.00 5.98 -119.43 3 4 2 43 254.374 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-1-(2-furyl)ethanamine (1R)-N-[2-(2,2-dimethylmorpholin…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.00 4.03 -40.33 2 4 1 42 253.366 5 ↓
Hi High (pH 8-9.5) 2.00 2.86 -4.55 1 4 0 38 252.358 5 ↓
Lo Low (pH 4.5-6) 2.00 5.98 -119.45 3 4 2 43 254.374 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3R)-3-ethylmorpholin-4-yl]-N-(2-furylmethyl)ethanamine 2-[(3R)-3-ethylmorpholin-4-yl]-N…

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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) 1.50 3.11 -43.04 2 4 1 42 239.339 6 ↓
Hi High (pH 8-9.5) 1.50 1.74 -4.29 1 4 0 38 238.331 6 ↓
Lo Low (pH 4.5-6) 1.50 5.27 -119.58 3 4 2 43 240.347 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3S)-3-ethylmorpholin-4-yl]-N-(2-furylmethyl)ethanamine 2-[(3S)-3-ethylmorpholin-4-yl]-N…

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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) 1.50 3.13 -43.1 2 4 1 42 239.339 6 ↓
Hi High (pH 8-9.5) 1.50 1.76 -4.42 1 4 0 38 238.331 6 ↓
Lo Low (pH 4.5-6) 1.50 5.29 -119.66 3 4 2 43 240.347 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3R)-3-ethylmorpholin-4-yl]-N-[(1S)-1-(2-furyl)ethyl]ethanamine 2-[(3R)-3-ethylmorpholin-4-yl]-N…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.05 3.61 -40.29 2 4 1 42 253.366 6 ↓
Hi High (pH 8-9.5) 2.05 2.43 -4.48 1 4 0 38 252.358 6 ↓
Lo Low (pH 4.5-6) 2.05 5.76 -117.49 3 4 2 43 254.374 6 ↓

Parameters Provided:

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filter.purchasability = annotated
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Structural Results Found: (before additional filtering)

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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 = 23300 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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