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Analogs

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Popular Name: 2-methyl-2-morpholino-N-(2-thienylmethyl)propan-1-amine 2-methyl-2-morpholino-N-(2-thien…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.08 4.5 -40.45 2 3 1 29 255.407 5 ↓
Hi High (pH 8-9.5) 2.08 2.67 -3.11 1 3 0 24 254.399 5 ↓
Lo Low (pH 4.5-6) 2.08 6.37 -118.8 3 3 2 30 256.415 5 ↓

Analogs

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

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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 5.12 -40.51 2 3 1 29 269.434 5 ↓
Hi High (pH 8-9.5) 2.46 3.29 -3.73 1 3 0 24 268.426 5 ↓
Lo Low (pH 4.5-6) 2.46 7.03 -118.59 3 3 2 30 270.442 5 ↓

Analogs

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

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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) 2.64 5.07 -37.28 2 3 1 29 269.434 5 ↓
Hi High (pH 8-9.5) 2.64 3.35 -3.27 1 3 0 24 268.426 5 ↓
Lo Low (pH 4.5-6) 2.64 6.94 -113.47 3 3 2 30 270.442 5 ↓

Analogs

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

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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) 2.64 5.1 -37.25 2 3 1 29 269.434 5 ↓
Hi High (pH 8-9.5) 2.64 3.91 -2.43 1 3 0 24 268.426 5 ↓
Lo Low (pH 4.5-6) 2.64 6.95 -113.37 3 3 2 30 270.442 5 ↓

Analogs

38001858
38001858
38001859
38001859

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Popular Name: N-[(5-bromo-2-thienyl)methyl]-2-methyl-2-morpholino-propan-1-amine N-[(5-bromo-2-thienyl)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) 3.01 5.23 -45.21 2 3 1 29 334.303 5 ↓
Hi High (pH 8-9.5) 3.01 3.97 -2.58 1 3 0 24 333.295 5 ↓
Lo Low (pH 4.5-6) 3.01 7.12 -124.57 3 3 2 30 335.311 5 ↓

Analogs

41202684
41202684
41202687
41202687

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

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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) 2.86 5.92 -37.17 2 3 1 29 283.461 5 ↓
Hi High (pH 8-9.5) 2.86 4.2 -3.73 1 3 0 24 282.453 5 ↓
Lo Low (pH 4.5-6) 2.86 7.8 -113.89 3 3 2 30 284.469 5 ↓

Analogs

41202684
41202684
41202687
41202687

Draw Identity 99% 90% 80% 70%

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

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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) 2.86 5.91 -37.13 2 3 1 29 283.461 5 ↓
Hi High (pH 8-9.5) 2.86 4.17 -3.06 1 3 0 24 282.453 5 ↓
Lo Low (pH 4.5-6) 2.86 7.79 -115.17 3 3 2 30 284.469 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.30 5.34 -40.42 2 3 1 29 269.434 5 ↓
Hi High (pH 8-9.5) 2.30 3.51 -3.83 1 3 0 24 268.426 5 ↓
Lo Low (pH 4.5-6) 2.30 7.24 -117.92 3 3 2 30 270.442 5 ↓

Analogs

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Popular Name: N-[(5-chloro-2-thienyl)methyl]-2-methyl-2-morpholino-propan-1-amine N-[(5-chloro-2-thienyl)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) 2.88 5.13 -44.99 2 3 1 29 289.852 5 ↓
Hi High (pH 8-9.5) 2.88 3.86 -2.57 1 3 0 24 288.844 5 ↓
Lo Low (pH 4.5-6) 2.88 7.02 -124.2 3 3 2 30 290.86 5 ↓

Analogs

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Popular Name: 2-methyl-2-morpholino-N-[(1R)-1-(2-thienyl)propyl]propan-1-amine 2-methyl-2-morpholino-N-[(1R)-1-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.14 5.49 -36.35 2 3 1 29 283.461 6 ↓
Hi High (pH 8-9.5) 3.14 4.51 -3.02 1 3 0 24 282.453 6 ↓
Lo Low (pH 4.5-6) 3.14 7.09 -103.17 3 3 2 30 284.469 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-2-morpholino-N-[(1S)-1-(2-thienyl)propyl]propan-1-amine 2-methyl-2-morpholino-N-[(1S)-1-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.14 4.64 -37.58 2 3 1 29 283.461 6 ↓
Hi High (pH 8-9.5) 3.14 3.36 -2.56 1 3 0 24 282.453 6 ↓
Lo Low (pH 4.5-6) 3.14 6.83 -110.58 3 3 2 30 284.469 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[(5-methyl-2-thienyl)methyl-(2-morpholinoethyl)amino]pentan-2-ol (2S)-1-[(5-methyl-2-thienyl)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) 2.53 5.32 -38.58 2 4 1 37 327.514 9 ↓
Hi High (pH 8-9.5) 2.53 3.3 -4.57 1 4 0 36 326.506 9 ↓
Lo Low (pH 4.5-6) 2.53 5.44 -38.12 2 4 1 37 327.514 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[(5-methyl-2-thienyl)methyl-(2-morpholinoethyl)amino]pentan-2-ol (2R)-1-[(5-methyl-2-thienyl)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) 2.53 5.61 -37.57 2 4 1 37 327.514 9 ↓
Hi High (pH 8-9.5) 2.53 3.27 -3.41 1 4 0 36 326.506 9 ↓
Lo Low (pH 4.5-6) 2.53 5.49 -38.93 2 4 1 37 327.514 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[(5-methyl-2-thienyl)methyl-(2-morpholinoethyl)amino]hex-5-en-2-ol (2R)-1-[(5-methyl-2-thienyl)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) 2.52 5.56 -38.51 2 4 1 37 339.525 10 ↓
Hi High (pH 8-9.5) 2.52 4.07 -4.7 1 4 0 36 338.517 10 ↓
Lo Low (pH 4.5-6) 2.52 6.35 -38.75 2 4 1 37 339.525 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[(5-methyl-2-thienyl)methyl-(2-morpholinoethyl)amino]hex-5-en-2-ol (2S)-1-[(5-methyl-2-thienyl)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) 2.52 5.44 -37.75 2 4 1 37 339.525 10 ↓
Hi High (pH 8-9.5) 2.52 3.28 -4.25 1 4 0 36 338.517 10 ↓
Lo Low (pH 4.5-6) 2.52 5.54 -39.52 2 4 1 37 339.525 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[(5-methyl-2-thienyl)methyl-(2-morpholinoethyl)amino]propan-2-ol (2R)-1-[(5-methyl-2-thienyl)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) 1.47 4.04 -34.38 2 4 1 37 299.46 7 ↓
Hi High (pH 8-9.5) 1.47 1.57 -5.04 1 4 0 36 298.452 7 ↓
Lo Low (pH 4.5-6) 1.47 3.85 -37.48 2 4 1 37 299.46 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[(5-methyl-2-thienyl)methyl-(2-morpholinoethyl)amino]propan-2-ol (2S)-1-[(5-methyl-2-thienyl)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) 1.47 3.73 -36.56 2 4 1 37 299.46 7 ↓
Hi High (pH 8-9.5) 1.47 1.57 -4.79 1 4 0 36 298.452 7 ↓
Lo Low (pH 4.5-6) 1.47 3.86 -38.82 2 4 1 37 299.46 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-tert-butoxy-3-[(5-methyl-2-thienyl)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) 2.26 5.28 -38.33 2 5 1 46 371.567 10 ↓
Hi High (pH 8-9.5) 2.26 2.93 -6.84 1 5 0 45 370.559 10 ↓
Lo Low (pH 4.5-6) 2.26 5.21 -39.48 2 5 1 46 371.567 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-tert-butoxy-3-[(5-methyl-2-thienyl)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) 2.26 5.16 -39.24 2 5 1 46 371.567 10 ↓
Hi High (pH 8-9.5) 2.26 3 -6.27 1 5 0 45 370.559 10 ↓
Lo Low (pH 4.5-6) 2.26 5.28 -40.26 2 5 1 46 371.567 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(1S)-1-(2-thienyl)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) 2.56 4.86 -39.82 2 3 1 29 269.434 5 ↓
Mid Mid (pH 6-8) 2.56 3.69 -3.61 1 3 0 24 268.426 5 ↓
Lo Low (pH 4.5-6) 2.56 7.13 -120.47 3 3 2 30 270.442 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-[(1S)-1-(2-thienyl)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) 2.56 5.16 -39.83 2 3 1 29 269.434 5 ↓
Mid Mid (pH 6-8) 2.56 3.99 -3.35 1 3 0 24 268.426 5 ↓
Lo Low (pH 4.5-6) 2.56 7.08 -119.71 3 3 2 30 270.442 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(1S)-1-(2-thienyl)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) 2.56 5.15 -39.82 2 3 1 29 269.434 5 ↓
Mid Mid (pH 6-8) 2.56 3.98 -3.51 1 3 0 24 268.426 5 ↓
Lo Low (pH 4.5-6) 2.56 7.09 -119.73 3 3 2 30 270.442 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.63 3.6 -42.4 2 3 1 29 241.38 5 ↓
Mid Mid (pH 6-8) 1.63 2.25 -3.41 1 3 0 24 240.372 5 ↓
Lo Low (pH 4.5-6) 1.63 4.51 -36.89 2 3 1 26 241.38 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.63 3.6 -42.43 2 3 1 29 241.38 5 ↓
Mid Mid (pH 6-8) 1.63 2.25 -3.56 1 3 0 24 240.372 5 ↓
Lo Low (pH 4.5-6) 1.63 4.51 -37.01 2 3 1 26 241.38 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.01 4.18 -42.4 2 3 1 29 255.407 5 ↓
Mid Mid (pH 6-8) 2.01 2.81 -3.92 1 3 0 24 254.399 5 ↓
Lo Low (pH 4.5-6) 2.01 5.08 -37.9 2 3 1 26 255.407 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.01 4.18 -42.4 2 3 1 29 255.407 5 ↓
Mid Mid (pH 6-8) 2.01 2.81 -3.82 1 3 0 24 254.399 5 ↓
Lo Low (pH 4.5-6) 2.01 5.08 -37.73 2 3 1 26 255.407 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5-chloro-2-thienyl)methyl]-2-[(2R)-2-methylmorpholin-4-yl]ethanamine N-[(5-chloro-2-thienyl)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) 2.44 4.22 -46.73 2 3 1 29 275.825 5 ↓
Mid Mid (pH 6-8) 2.44 2.87 -3.19 1 3 0 24 274.817 5 ↓
Lo Low (pH 4.5-6) 2.44 5.14 -38.48 2 3 1 26 275.825 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5-chloro-2-thienyl)methyl]-2-[(2S)-2-methylmorpholin-4-yl]ethanamine N-[(5-chloro-2-thienyl)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) 2.44 4.23 -46.72 2 3 1 29 275.825 5 ↓
Mid Mid (pH 6-8) 2.44 2.87 -3.28 1 3 0 24 274.817 5 ↓
Lo Low (pH 4.5-6) 2.44 6.49 -127.42 3 3 2 30 276.833 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R)-2-methylmorpholin-4-yl]-N-[(5-methyl-2-thienyl)methyl]ethanamine 2-[(2R)-2-methylmorpholin-4-yl]-…

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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) 1.86 4.43 -42.37 2 3 1 29 255.407 5 ↓
Mid Mid (pH 6-8) 1.86 3.08 -4.09 1 3 0 24 254.399 5 ↓
Lo Low (pH 4.5-6) 1.86 6.7 -121.35 3 3 2 30 256.415 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-2-methylmorpholin-4-yl]-N-[(5-methyl-2-thienyl)methyl]ethanamine 2-[(2S)-2-methylmorpholin-4-yl]-…

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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) 1.86 4.43 -42.41 2 3 1 29 255.407 5 ↓
Mid Mid (pH 6-8) 1.86 3.08 -3.89 1 3 0 24 254.399 5 ↓
Lo Low (pH 4.5-6) 1.86 5.35 -37.24 2 3 1 26 255.407 5 ↓

Analogs

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Popular Name: N-[(4-bromo-2-thienyl)methyl]-2-[(2R)-2-methylmorpholin-4-yl]ethanamine N-[(4-bromo-2-thienyl)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) 2.37 4.21 -45.51 2 3 1 29 320.276 5 ↓
Mid Mid (pH 6-8) 2.37 2.86 -3.43 1 3 0 24 319.268 5 ↓
Lo Low (pH 4.5-6) 2.37 5.12 -38.15 2 3 1 26 320.276 5 ↓

Analogs

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Popular Name: N-[(4-bromo-2-thienyl)methyl]-2-[(2S)-2-methylmorpholin-4-yl]ethanamine N-[(4-bromo-2-thienyl)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) 2.37 4.21 -45.51 2 3 1 29 320.276 5 ↓
Mid Mid (pH 6-8) 2.37 2.86 -3.6 1 3 0 24 319.268 5 ↓
Lo Low (pH 4.5-6) 2.37 5.12 -38.3 2 3 1 26 320.276 5 ↓

Analogs

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

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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) 2.19 4.12 -39.43 2 3 1 29 255.407 5 ↓
Mid Mid (pH 6-8) 2.19 2.94 -3.63 1 3 0 24 254.399 5 ↓
Lo Low (pH 4.5-6) 2.19 6.39 -118.86 3 3 2 30 256.415 5 ↓

Analogs

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

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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) 2.19 4.11 -39.42 2 3 1 29 255.407 5 ↓
Mid Mid (pH 6-8) 2.19 2.93 -3.75 1 3 0 24 254.399 5 ↓
Lo Low (pH 4.5-6) 2.19 6.39 -118.82 3 3 2 30 256.415 5 ↓

Analogs

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Popular Name: (2R)-1-isopropoxy-3-[2-morpholinoethyl(2-thienylmethyl)amino]propan-2-ol (2R)-1-isopropoxy-3-[2-morpholin…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.60 3.9 -40.74 2 5 1 46 343.513 10 ↓
Hi High (pH 8-9.5) 1.60 1.76 -6.92 1 5 0 45 342.505 10 ↓
Lo Low (pH 4.5-6) 1.60 4.02 -41.14 2 5 1 46 343.513 10 ↓

Analogs

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Popular Name: (2S)-1-isopropoxy-3-[2-morpholinoethyl(2-thienylmethyl)amino]propan-2-ol (2S)-1-isopropoxy-3-[2-morpholin…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.60 4.16 -39.65 2 5 1 46 343.513 10 ↓
Hi High (pH 8-9.5) 1.60 1.8 -7.06 1 5 0 45 342.505 10 ↓
Lo Low (pH 4.5-6) 1.60 4.08 -42.09 2 5 1 46 343.513 10 ↓

Analogs

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Popular Name: (2R)-1-isobutoxy-3-[2-morpholinoethyl(2-thienylmethyl)amino]propan-2-ol (2R)-1-isobutoxy-3-[2-morpholino…

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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) 1.98 4.65 -40.57 2 5 1 46 357.54 11 ↓
Hi High (pH 8-9.5) 1.98 2.5 -6.79 1 5 0 45 356.532 11 ↓
Lo Low (pH 4.5-6) 1.98 4.77 -40.86 2 5 1 46 357.54 11 ↓

Analogs

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Popular Name: (2S)-1-isobutoxy-3-[2-morpholinoethyl(2-thienylmethyl)amino]propan-2-ol (2S)-1-isobutoxy-3-[2-morpholino…

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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) 1.98 4.91 -39.54 2 5 1 46 357.54 11 ↓
Hi High (pH 8-9.5) 1.98 2.55 -6.9 1 5 0 45 356.532 11 ↓
Lo Low (pH 4.5-6) 1.98 4.81 -41.87 2 5 1 46 357.54 11 ↓

Analogs

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Popular Name: (2S)-1-[2-morpholinoethyl(2-thienylmethyl)amino]butan-2-ol (2S)-1-[2-morpholinoethyl(2-thie…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.75 3.71 -38.31 2 4 1 37 299.46 8 ↓
Hi High (pH 8-9.5) 1.75 1.69 -4.43 1 4 0 36 298.452 8 ↓
Lo Low (pH 4.5-6) 1.75 3.83 -38.08 2 4 1 37 299.46 8 ↓

Analogs

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Popular Name: (2R)-1-[2-morpholinoethyl(2-thienylmethyl)amino]butan-2-ol (2R)-1-[2-morpholinoethyl(2-thie…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.75 4.01 -37.41 2 4 1 37 299.46 8 ↓
Hi High (pH 8-9.5) 1.75 1.66 -3.3 1 4 0 36 298.452 8 ↓
Lo Low (pH 4.5-6) 1.75 3.88 -38.88 2 4 1 37 299.46 8 ↓

Analogs

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Popular Name: (2S)-1-[2-morpholinoethyl(2-thienylmethyl)amino]hex-5-en-2-ol (2S)-1-[2-morpholinoethyl(2-thie…

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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) 2.29 5.05 -39.62 2 4 1 37 325.498 10 ↓
Hi High (pH 8-9.5) 2.29 2.9 -5.15 1 4 0 36 324.49 10 ↓
Lo Low (pH 4.5-6) 2.29 5.17 -38.58 2 4 1 37 325.498 10 ↓

Analogs

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Popular Name: (2R)-1-[2-morpholinoethyl(2-thienylmethyl)amino]hex-5-en-2-ol (2R)-1-[2-morpholinoethyl(2-thie…

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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) 2.29 5.33 -38.06 2 4 1 37 325.498 10 ↓
Hi High (pH 8-9.5) 2.29 3.01 -3.28 1 4 0 36 324.49 10 ↓
Lo Low (pH 4.5-6) 2.29 5.28 -38.36 2 4 1 37 325.498 10 ↓

Analogs

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.60 3.45 -42.38 2 3 1 29 241.38 5 ↓
Mid Mid (pH 6-8) 1.60 2.1 -3.31 1 3 0 24 240.372 5 ↓
Lo Low (pH 4.5-6) 1.60 5.63 -118.22 3 3 2 30 242.388 5 ↓

Analogs

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.60 3.45 -42.44 2 3 1 29 241.38 5 ↓
Mid Mid (pH 6-8) 1.60 2.1 -3.53 1 3 0 24 240.372 5 ↓
Lo Low (pH 4.5-6) 1.60 5.63 -118.2 3 3 2 30 242.388 5 ↓

Analogs

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

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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) 1.98 4.03 -42.38 2 3 1 29 255.407 5 ↓
Mid Mid (pH 6-8) 1.98 2.67 -3.75 1 3 0 24 254.399 5 ↓
Lo Low (pH 4.5-6) 1.98 6.21 -119.52 3 3 2 30 256.415 5 ↓

Analogs

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

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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) 1.98 4.03 -42.36 2 3 1 29 255.407 5 ↓
Mid Mid (pH 6-8) 1.98 2.67 -3.96 1 3 0 24 254.399 5 ↓
Lo Low (pH 4.5-6) 1.98 4.84 -35.56 2 3 1 26 255.407 5 ↓

Analogs

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Popular Name: N-[(5-chloro-2-thienyl)methyl]-2-[(3R)-3-methylmorpholin-4-yl]ethanamine N-[(5-chloro-2-thienyl)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) 2.40 4.08 -46.7 2 3 1 29 275.825 5 ↓
Mid Mid (pH 6-8) 2.40 2.73 -3.09 1 3 0 24 274.817 5 ↓
Lo Low (pH 4.5-6) 2.40 4.91 -36.27 2 3 1 26 275.825 5 ↓

Analogs

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Popular Name: N-[(5-chloro-2-thienyl)methyl]-2-[(3S)-3-methylmorpholin-4-yl]ethanamine N-[(5-chloro-2-thienyl)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) 2.40 4.08 -46.69 2 3 1 29 275.825 5 ↓
Mid Mid (pH 6-8) 2.40 2.73 -3.23 1 3 0 24 274.817 5 ↓
Lo Low (pH 4.5-6) 2.40 6.26 -124.46 3 3 2 30 276.833 5 ↓

Analogs

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Popular Name: 2-[(3S)-3-methylmorpholin-4-yl]-N-[(5-methyl-2-thienyl)methyl]ethanamine 2-[(3S)-3-methylmorpholin-4-yl]-…

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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) 1.82 4.29 -42.35 2 3 1 29 255.407 5 ↓
Mid Mid (pH 6-8) 1.82 2.94 -3.82 1 3 0 24 254.399 5 ↓
Lo Low (pH 4.5-6) 1.82 5.11 -35.09 2 3 1 26 255.407 5 ↓

Analogs

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Popular Name: 2-[(3R)-3-methylmorpholin-4-yl]-N-[(5-methyl-2-thienyl)methyl]ethanamine 2-[(3R)-3-methylmorpholin-4-yl]-…

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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) 1.82 4.29 -42.28 2 3 1 29 255.407 5 ↓
Mid Mid (pH 6-8) 1.82 2.94 -4 1 3 0 24 254.399 5 ↓
Lo Low (pH 4.5-6) 1.82 5.12 -35.08 2 3 1 26 255.407 5 ↓

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

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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 = 23297 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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