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Analogs

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Popular Name: (2S)-2-isopentyloxy-N-[4-(morpholinomethyl)thiazol-2-yl]propanamide (2S)-2-isopentyloxy-N-[4-(morpho…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.06 4.49 -10.68 1 6 0 64 341.477 8 ↓
Lo Low (pH 4.5-6) 2.06 6.77 -41.12 2 6 1 65 342.485 8 ↓

Analogs

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Popular Name: (2R)-2-isopentyloxy-N-[4-(morpholinomethyl)thiazol-2-yl]propanamide (2R)-2-isopentyloxy-N-[4-(morpho…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.06 4.49 -10.73 1 6 0 64 341.477 8 ↓
Lo Low (pH 4.5-6) 2.06 6.77 -41.02 2 6 1 65 342.485 8 ↓

Analogs

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Popular Name: N-methyl-1-[4-(morpholinomethyl)thiazol-2-yl]methanamine N-methyl-1-[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) 0.05 0.61 -39.89 2 4 1 42 228.341 4 ↓
Hi High (pH 8-9.5) 0.05 -0.84 -6.13 1 4 0 37 227.333 4 ↓
Lo Low (pH 4.5-6) 0.05 2.9 -90.57 3 4 2 43 229.349 4 ↓

Analogs

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Popular Name: N-[[4-(morpholinomethyl)thiazol-2-yl]methyl]ethanamine N-[[4-(morpholinomethyl)thiazol-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.42 1.47 -38.96 2 4 1 42 242.368 5 ↓
Hi High (pH 8-9.5) 0.42 0.1 -5.9 1 4 0 37 241.36 5 ↓
Lo Low (pH 4.5-6) 0.42 3.75 -90.22 3 4 2 43 243.376 5 ↓

Analogs

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

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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 2.22 -39.74 2 4 1 42 256.395 6 ↓
Hi High (pH 8-9.5) 0.93 0.86 -5.78 1 4 0 37 255.387 6 ↓
Lo Low (pH 4.5-6) 0.93 4.5 -91.7 3 4 2 43 257.403 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 0.72 2 -37.44 2 4 1 42 256.395 5 ↓
Hi High (pH 8-9.5) 0.72 0.79 -5.7 1 4 0 37 255.387 5 ↓
Lo Low (pH 4.5-6) 0.72 4.28 -89.05 3 4 2 43 257.403 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[4-(morpholinomethyl)thiazol-2-yl]methyl]propan-2-amine 2-methyl-N-[[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 2.43 -35.23 2 4 1 42 270.422 5 ↓
Hi High (pH 8-9.5) 1.23 1.18 -5.61 1 4 0 37 269.414 5 ↓
Lo Low (pH 4.5-6) 1.23 4.7 -87.82 3 4 2 43 271.43 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[4-(morpholinomethyl)thiazol-2-yl]methyl]propan-1-amine 2-methyl-N-[[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) 1.17 2.91 -39.57 2 4 1 42 270.422 6 ↓
Hi High (pH 8-9.5) 1.17 1.54 -5.68 1 4 0 37 269.414 6 ↓
Lo Low (pH 4.5-6) 1.17 5.19 -92.19 3 4 2 43 271.43 6 ↓

Analogs

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Popular Name: 1-[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]thiazol-2-yl]-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) 0.77 2.1 -40.06 2 4 1 42 256.395 4 ↓
Hi High (pH 8-9.5) 0.77 0.66 -4.95 1 4 0 37 255.387 4 ↓
Lo Low (pH 4.5-6) 0.77 4.39 -91.87 3 4 2 43 257.403 4 ↓

Analogs

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Popular Name: 1-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]thiazol-2-yl]-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) 0.77 2.39 -39.96 2 4 1 42 256.395 4 ↓
Hi High (pH 8-9.5) 0.77 0.94 -4.56 1 4 0 37 255.387 4 ↓
Lo Low (pH 4.5-6) 0.77 4.35 -91.3 3 4 2 43 257.403 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]thiazol-2-yl]-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) 0.77 2.68 -41.24 2 4 1 42 256.395 4 ↓
Hi High (pH 8-9.5) 0.77 1.23 -4.76 1 4 0 37 255.387 4 ↓
Lo Low (pH 4.5-6) 0.77 4.66 -91.97 3 4 2 43 257.403 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]thiazol-2-yl]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) 1.15 3.25 -40.48 2 4 1 42 270.422 5 ↓
Hi High (pH 8-9.5) 1.15 1.89 -5.64 1 4 0 37 269.414 5 ↓
Lo Low (pH 4.5-6) 1.15 5.56 -92.26 3 4 2 43 271.43 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]thiazol-2-yl]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) 1.15 3.25 -39.1 2 4 1 42 270.422 5 ↓
Hi High (pH 8-9.5) 1.15 1.88 -5.32 1 4 0 37 269.414 5 ↓
Lo Low (pH 4.5-6) 1.15 5.22 -90.97 3 4 2 43 271.43 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]thiazol-2-yl]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) 1.15 3.25 -39 2 4 1 42 270.422 5 ↓
Hi High (pH 8-9.5) 1.15 1.88 -5.55 1 4 0 37 269.414 5 ↓
Lo Low (pH 4.5-6) 1.15 5.21 -90.82 3 4 2 43 271.43 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]thiazol-2-yl]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) 1.65 4 -41.32 2 4 1 42 284.449 6 ↓
Hi High (pH 8-9.5) 1.65 2.65 -5.48 1 4 0 37 283.441 6 ↓
Lo Low (pH 4.5-6) 1.65 6.31 -93.82 3 4 2 43 285.457 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]thiazol-2-yl]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) 1.65 4 -39.84 2 4 1 42 284.449 6 ↓
Hi High (pH 8-9.5) 1.65 2.64 -5.24 1 4 0 37 283.441 6 ↓
Lo Low (pH 4.5-6) 1.65 5.97 -92.42 3 4 2 43 285.457 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]thiazol-2-yl]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) 1.65 4 -39.78 2 4 1 42 284.449 6 ↓
Hi High (pH 8-9.5) 1.65 2.64 -5.4 1 4 0 37 283.441 6 ↓
Lo Low (pH 4.5-6) 1.65 5.96 -92.34 3 4 2 43 285.457 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]thiazol-2-yl]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) 1.45 3.48 -37.08 2 4 1 42 284.449 5 ↓
Hi High (pH 8-9.5) 1.45 2.26 -4.62 1 4 0 37 283.441 5 ↓
Lo Low (pH 4.5-6) 1.45 5.78 -90.42 3 4 2 43 285.457 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]thiazol-2-yl]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) 1.45 3.77 -36.99 2 4 1 42 284.449 5 ↓
Hi High (pH 8-9.5) 1.45 2.55 -4.15 1 4 0 37 283.441 5 ↓
Lo Low (pH 4.5-6) 1.45 5.74 -89.76 3 4 2 43 285.457 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]thiazol-2-yl]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) 1.45 4.06 -38.28 2 4 1 42 284.449 5 ↓
Hi High (pH 8-9.5) 1.45 2.84 -4.37 1 4 0 37 283.441 5 ↓
Lo Low (pH 4.5-6) 1.45 6.04 -90.5 3 4 2 43 285.457 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]thiazol-2-yl]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) 1.96 3.92 -35.41 2 4 1 42 298.476 5 ↓
Hi High (pH 8-9.5) 1.96 2.67 -4.45 1 4 0 37 297.468 5 ↓
Lo Low (pH 4.5-6) 1.96 6.21 -89.12 3 4 2 43 299.484 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]thiazol-2-yl]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) 1.96 4.21 -35.25 2 4 1 42 298.476 5 ↓
Hi High (pH 8-9.5) 1.96 2.95 -4.05 1 4 0 37 297.468 5 ↓
Lo Low (pH 4.5-6) 1.96 6.15 -88.48 3 4 2 43 299.484 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]thiazol-2-yl]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) 1.96 4.49 -36.48 2 4 1 42 298.476 5 ↓
Hi High (pH 8-9.5) 1.96 3.24 -4.26 1 4 0 37 297.468 5 ↓
Lo Low (pH 4.5-6) 1.96 6.48 -89.28 3 4 2 43 299.484 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]thiazol-2-yl]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) 1.90 4.41 -39.76 2 4 1 42 298.476 6 ↓
Hi High (pH 8-9.5) 1.90 3.04 -4.61 1 4 0 37 297.468 6 ↓
Lo Low (pH 4.5-6) 1.90 6.7 -93.52 3 4 2 43 299.484 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]thiazol-2-yl]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) 1.90 4.69 -39.55 2 4 1 42 298.476 6 ↓
Hi High (pH 8-9.5) 1.90 3.32 -4.17 1 4 0 37 297.468 6 ↓
Lo Low (pH 4.5-6) 1.90 6.66 -92.91 3 4 2 43 299.484 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]thiazol-2-yl]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) 1.90 4.98 -40.86 2 4 1 42 298.476 6 ↓
Hi High (pH 8-9.5) 1.90 3.61 -4.37 1 4 0 37 297.468 6 ↓
Lo Low (pH 4.5-6) 1.90 6.96 -93.71 3 4 2 43 299.484 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]thiazol-2-yl]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) 0.40 0.23 -45.6 3 4 1 53 242.368 3 ↓
Mid Mid (pH 6-8) 0.40 -0.18 -6.61 2 4 0 51 241.36 3 ↓
Lo Low (pH 4.5-6) 0.40 2.52 -97.09 4 4 2 54 243.376 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]thiazol-2-yl]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) 0.40 0.51 -45.45 3 4 1 53 242.368 3 ↓
Mid Mid (pH 6-8) 0.40 0.11 -6.13 2 4 0 51 241.36 3 ↓
Lo Low (pH 4.5-6) 0.40 2.48 -96.47 4 4 2 54 243.376 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]thiazol-2-yl]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) 0.40 0.8 -46.9 3 4 1 53 242.368 3 ↓
Mid Mid (pH 6-8) 0.40 0.4 -6.17 2 4 0 51 241.36 3 ↓
Lo Low (pH 4.5-6) 0.40 2.79 -97.39 4 4 2 54 243.376 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[4-[[(2R)-2-methylmorpholin-4-yl]methyl]thiazol-2-yl]methanamine N-methyl-1-[4-[[(2R)-2-methylmor…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.41 1.36 -39.9 2 4 1 42 242.368 4 ↓
Hi High (pH 8-9.5) 0.41 -0.09 -4.96 1 4 0 37 241.36 4 ↓
Lo Low (pH 4.5-6) 0.41 3.66 -91.23 3 4 2 43 243.376 4 ↓

Analogs

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Popular Name: N-methyl-1-[4-[[(2S)-2-methylmorpholin-4-yl]methyl]thiazol-2-yl]methanamine N-methyl-1-[4-[[(2S)-2-methylmor…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.41 1.67 -40.7 2 4 1 42 242.368 4 ↓
Hi High (pH 8-9.5) 0.41 0.22 -4.94 1 4 0 37 241.36 4 ↓
Lo Low (pH 4.5-6) 0.41 3.95 -91.89 3 4 2 43 243.376 4 ↓

Analogs

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.79 2.22 -39 2 4 1 42 256.395 5 ↓
Hi High (pH 8-9.5) 0.79 0.84 -5.9 1 4 0 37 255.387 5 ↓
Lo Low (pH 4.5-6) 0.79 4.5 -90.84 3 4 2 43 257.403 5 ↓

Analogs

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.79 2.52 -39.77 2 4 1 42 256.395 5 ↓
Hi High (pH 8-9.5) 0.79 1.14 -5.65 1 4 0 37 255.387 5 ↓
Lo Low (pH 4.5-6) 0.79 4.81 -91.4 3 4 2 43 257.403 5 ↓

Analogs

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.29 2.97 -39.81 2 4 1 42 270.422 6 ↓
Hi High (pH 8-9.5) 1.29 1.61 -5.71 1 4 0 37 269.414 6 ↓
Lo Low (pH 4.5-6) 1.29 5.25 -92.39 3 4 2 43 271.43 6 ↓

Analogs

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.29 3.27 -40.52 2 4 1 42 270.422 6 ↓
Hi High (pH 8-9.5) 1.29 1.92 -5.49 1 4 0 37 269.414 6 ↓
Lo Low (pH 4.5-6) 1.29 5.57 -92.93 3 4 2 43 271.43 6 ↓

Analogs

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.08 2.74 -37.49 2 4 1 42 270.422 5 ↓
Hi High (pH 8-9.5) 1.08 1.52 -4.62 1 4 0 37 269.414 5 ↓
Lo Low (pH 4.5-6) 1.08 5.04 -89.78 3 4 2 43 271.43 5 ↓

Analogs

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.08 3.06 -38.15 2 4 1 42 270.422 5 ↓
Hi High (pH 8-9.5) 1.08 1.83 -4.61 1 4 0 37 269.414 5 ↓
Lo Low (pH 4.5-6) 1.08 5.34 -90.26 3 4 2 43 271.43 5 ↓

Analogs

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Popular Name: 2-methyl-N-[[4-[[(2R)-2-methylmorpholin-4-yl]methyl]thiazol-2-yl]methyl]propan-2-amine 2-methyl-N-[[4-[[(2R)-2-methylmo…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.60 3.17 -35.24 2 4 1 42 284.449 5 ↓
Hi High (pH 8-9.5) 1.60 1.92 -4.38 1 4 0 37 283.441 5 ↓
Lo Low (pH 4.5-6) 1.60 5.48 -88.44 3 4 2 43 285.457 5 ↓

Analogs

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.60 3.47 -35.93 2 4 1 42 284.449 5 ↓
Hi High (pH 8-9.5) 1.60 2.23 -4.48 1 4 0 37 283.441 5 ↓
Lo Low (pH 4.5-6) 1.60 5.77 -89.02 3 4 2 43 285.457 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.53 3.66 -39.56 2 4 1 42 284.449 6 ↓
Hi High (pH 8-9.5) 1.53 2.44 -4.5 1 4 0 37 283.441 6 ↓
Lo Low (pH 4.5-6) 1.53 5.96 -92.91 3 4 2 43 285.457 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.53 3.97 -40.31 2 4 1 42 284.449 6 ↓
Hi High (pH 8-9.5) 1.53 2.75 -4.47 1 4 0 37 283.441 6 ↓
Lo Low (pH 4.5-6) 1.53 6.26 -93.43 3 4 2 43 285.457 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[[(2R)-2-methylmorpholin-4-yl]methyl]thiazol-2-yl]methanamine [4-[[(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) 0.04 -0.52 -45.42 3 4 1 53 228.341 3 ↓
Mid Mid (pH 6-8) 0.04 -0.92 -6.59 2 4 0 51 227.333 3 ↓
Lo Low (pH 4.5-6) 0.04 1.79 -96.47 4 4 2 54 229.349 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[[(2S)-2-methylmorpholin-4-yl]methyl]thiazol-2-yl]methanamine [4-[[(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) 0.04 -0.21 -46.35 3 4 1 53 228.341 3 ↓
Mid Mid (pH 6-8) 0.04 -0.61 -6.32 2 4 0 51 227.333 3 ↓
Lo Low (pH 4.5-6) 0.04 2.08 -97 4 4 2 54 229.349 3 ↓

Analogs

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Popular Name: N-methyl-1-[4-[[(3R)-3-methylmorpholin-4-yl]methyl]thiazol-2-yl]methanamine N-methyl-1-[4-[[(3R)-3-methylmor…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.38 1.21 -39.77 2 4 1 42 242.368 4 ↓
Lo Low (pH 4.5-6) 0.38 3.42 -88.8 3 4 2 43 243.376 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[4-[[(3S)-3-methylmorpholin-4-yl]methyl]thiazol-2-yl]methanamine N-methyl-1-[4-[[(3S)-3-methylmor…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.38 1.51 -40.61 2 4 1 42 242.368 4 ↓
Lo Low (pH 4.5-6) 0.38 3.72 -89.25 3 4 2 43 243.376 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.75 2.38 -39.62 2 4 1 42 256.395 5 ↓
Lo Low (pH 4.5-6) 0.75 4.58 -88.75 3 4 2 43 257.403 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.75 2.07 -38.86 2 4 1 42 256.395 5 ↓
Lo Low (pH 4.5-6) 0.75 4.27 -88.3 3 4 2 43 257.403 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.26 3.12 -40.45 2 4 1 42 270.422 6 ↓
Lo Low (pH 4.5-6) 1.26 5.33 -90.31 3 4 2 43 271.43 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.26 2.82 -39.62 2 4 1 42 270.422 6 ↓
Lo Low (pH 4.5-6) 1.26 5.02 -89.86 3 4 2 43 271.43 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.05 2.59 -36.76 2 4 1 42 270.422 5 ↓
Lo Low (pH 4.5-6) 1.05 4.82 -87.18 3 4 2 43 271.43 5 ↓

Parameters Provided:

ring.id = 77318
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 = 77318 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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