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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: 1-[4-[[(2R)-2-ethylpyrrolidin-1-yl]methyl]thiazol-2-yl]-N-methyl-methanamine 1-[4-[[(2R)-2-ethylpyrrolidin-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) 1.47 5.99 -85.47 3 3 2 34 241.404 5 ↓
Hi High (pH 8-9.5) 1.47 4.55 -29.16 2 3 1 29 240.396 5 ↓
Hi High (pH 8-9.5) 1.47 2.64 -3.91 1 3 0 28 239.388 5 ↓

Analogs

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Popular Name: 1-[4-[[(2S)-2-ethylpyrrolidin-1-yl]methyl]thiazol-2-yl]-N-methyl-methanamine 1-[4-[[(2S)-2-ethylpyrrolidin-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) 1.47 6.19 -86.52 3 3 2 34 241.404 5 ↓
Hi High (pH 8-9.5) 1.47 4.74 -29.04 2 3 1 29 240.396 5 ↓
Hi High (pH 8-9.5) 1.47 2.76 -3.38 1 3 0 28 239.388 5 ↓

Analogs

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Popular Name: N-[[4-[[(2R)-2-ethylpyrrolidin-1-yl]methyl]thiazol-2-yl]methyl]ethanamine N-[[4-[[(2R)-2-ethylpyrrolidin-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) 1.85 6.85 -85.06 3 3 2 34 255.431 6 ↓
Hi High (pH 8-9.5) 1.85 5.48 -28.9 2 3 1 29 254.423 6 ↓
Hi High (pH 8-9.5) 1.85 3.58 -3.76 1 3 0 28 253.415 6 ↓

Analogs

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Popular Name: N-[[4-[[(2S)-2-ethylpyrrolidin-1-yl]methyl]thiazol-2-yl]methyl]ethanamine N-[[4-[[(2S)-2-ethylpyrrolidin-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) 1.85 7.05 -86.12 3 3 2 34 255.431 6 ↓
Hi High (pH 8-9.5) 1.85 5.67 -28.9 2 3 1 29 254.423 6 ↓
Hi High (pH 8-9.5) 1.85 3.69 -3.19 1 3 0 28 253.415 6 ↓

Analogs

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Popular Name: N-[[4-[[(2S)-2-ethylpyrrolidin-1-yl]methyl]thiazol-2-yl]methyl]propan-1-amine N-[[4-[[(2S)-2-ethylpyrrolidin-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) 2.35 8.01 -87.28 3 3 2 34 269.458 7 ↓
Hi High (pH 8-9.5) 2.35 6.65 -28.47 2 3 1 29 268.45 7 ↓
Hi High (pH 8-9.5) 2.35 4.69 -3.64 1 3 0 28 267.442 7 ↓

Analogs

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Popular Name: N-[[4-[[(2R)-2-ethylpyrrolidin-1-yl]methyl]thiazol-2-yl]methyl]propan-1-amine N-[[4-[[(2R)-2-ethylpyrrolidin-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) 2.35 7.63 -86.93 3 3 2 34 269.458 7 ↓
Hi High (pH 8-9.5) 2.35 4.4 -4.82 1 3 0 28 267.442 7 ↓
Hi High (pH 8-9.5) 2.35 6.27 -29.53 2 3 1 29 268.45 7 ↓

Analogs

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Popular Name: N-[[4-[[(2R)-2-ethylpyrrolidin-1-yl]methyl]thiazol-2-yl]methyl]propan-2-amine N-[[4-[[(2R)-2-ethylpyrrolidin-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) 2.14 7.38 -83.95 3 3 2 34 269.458 6 ↓
Hi High (pH 8-9.5) 2.14 6.15 -28.81 2 3 1 29 268.45 6 ↓
Hi High (pH 8-9.5) 2.14 4.27 -3.58 1 3 0 28 267.442 6 ↓

Analogs

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Popular Name: N-[[4-[[(2S)-2-ethylpyrrolidin-1-yl]methyl]thiazol-2-yl]methyl]propan-2-amine N-[[4-[[(2S)-2-ethylpyrrolidin-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) 2.14 7.58 -85.09 3 3 2 34 269.458 6 ↓
Hi High (pH 8-9.5) 2.14 6.35 -28.87 2 3 1 29 268.45 6 ↓
Hi High (pH 8-9.5) 2.14 4.39 -2.97 1 3 0 28 267.442 6 ↓

Analogs

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Popular Name: N-[[4-[[(2R)-2-ethylpyrrolidin-1-yl]methyl]thiazol-2-yl]methyl]-2-methyl-propan-2-amine N-[[4-[[(2R)-2-ethylpyrrolidin-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) 2.65 7.79 -82.61 3 3 2 34 283.485 6 ↓
Hi High (pH 8-9.5) 2.65 6.56 -28.63 2 3 1 29 282.477 6 ↓
Hi High (pH 8-9.5) 2.65 4.65 -3.37 1 3 0 28 281.469 6 ↓

Analogs

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Popular Name: N-[[4-[[(2S)-2-ethylpyrrolidin-1-yl]methyl]thiazol-2-yl]methyl]-2-methyl-propan-2-amine N-[[4-[[(2S)-2-ethylpyrrolidin-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) 2.65 8.01 -83.73 3 3 2 34 283.485 6 ↓
Hi High (pH 8-9.5) 2.65 6.75 -28.68 2 3 1 29 282.477 6 ↓
Hi High (pH 8-9.5) 2.65 4.77 -2.92 1 3 0 28 281.469 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[[(2R)-2-ethylpyrrolidin-1-yl]methyl]thiazol-2-yl]methyl]-2-methyl-propan-1-amine N-[[4-[[(2R)-2-ethylpyrrolidin-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) 2.59 8.3 -87 3 3 2 34 283.485 7 ↓
Hi High (pH 8-9.5) 2.59 7.07 -28.67 2 3 1 29 282.477 7 ↓
Hi High (pH 8-9.5) 2.59 5.17 -3.43 1 3 0 28 281.469 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[[(2S)-2-ethylpyrrolidin-1-yl]methyl]thiazol-2-yl]methyl]-2-methyl-propan-1-amine N-[[4-[[(2S)-2-ethylpyrrolidin-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) 2.59 8.49 -88.07 3 3 2 34 283.485 7 ↓
Hi High (pH 8-9.5) 2.59 7.27 -28.81 2 3 1 29 282.477 7 ↓
Hi High (pH 8-9.5) 2.59 5.29 -2.9 1 3 0 28 281.469 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[[(2R)-2-ethylpyrrolidin-1-yl]methyl]thiazol-2-yl]methanamine [4-[[(2R)-2-ethylpyrrolidin-1-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) 1.09 4.12 -90.69 4 3 2 45 227.377 4 ↓
Hi High (pH 8-9.5) 1.09 1.81 -4.29 2 3 0 42 225.361 4 ↓
Mid Mid (pH 6-8) 1.09 3.71 -29.1 3 3 1 43 226.369 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[[(2S)-2-ethylpyrrolidin-1-yl]methyl]thiazol-2-yl]methanamine [4-[[(2S)-2-ethylpyrrolidin-1-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) 1.09 4.31 -91.86 4 3 2 45 227.377 4 ↓
Hi High (pH 8-9.5) 1.09 1.92 -3.79 2 3 0 42 225.361 4 ↓
Mid Mid (pH 6-8) 1.09 3.91 -28.91 3 3 1 43 226.369 4 ↓

Analogs

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

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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 5.27 -85.82 3 3 2 34 227.377 4 ↓
Hi High (pH 8-9.5) 0.93 3.82 -30.26 2 3 1 29 226.369 4 ↓
Hi High (pH 8-9.5) 0.93 1.58 -4.31 1 3 0 28 225.361 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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 5.33 -86.46 3 3 2 34 227.377 4 ↓
Hi High (pH 8-9.5) 0.93 3.88 -29.74 2 3 1 29 226.369 4 ↓
Hi High (pH 8-9.5) 0.93 1.7 -3.63 1 3 0 28 225.361 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[[(2S)-2-methylpyrrolidin-1-yl]methyl]thiazol-2-yl]methyl]ethanamine N-[[4-[[(2S)-2-methylpyrrolidin-…

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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) 1.31 6.24 -85.76 3 3 2 34 241.404 5 ↓
Hi High (pH 8-9.5) 1.31 4.87 -29.05 2 3 1 29 240.396 5 ↓
Hi High (pH 8-9.5) 1.31 2.58 -4.42 1 3 0 28 239.388 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]thiazol-2-yl]methyl]ethanamine N-[[4-[[(2R)-2-methylpyrrolidin-…

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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) 1.31 6.02 -85.52 3 3 2 34 241.404 5 ↓
Hi High (pH 8-9.5) 1.31 4.64 -29.63 2 3 1 29 240.396 5 ↓
Hi High (pH 8-9.5) 1.31 2.58 -5.39 1 3 0 28 239.388 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.81 7 -87.42 3 3 2 34 255.431 6 ↓
Hi High (pH 8-9.5) 1.81 5.64 -29.01 2 3 1 29 254.423 6 ↓
Hi High (pH 8-9.5) 1.81 3.35 -4.21 1 3 0 28 253.415 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.81 6.77 -86.89 3 3 2 34 255.431 6 ↓
Hi High (pH 8-9.5) 1.81 5.41 -29.64 2 3 1 29 254.423 6 ↓
Hi High (pH 8-9.5) 1.81 3.34 -5.25 1 3 0 28 253.415 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.61 6.65 -84.33 3 3 2 34 255.431 5 ↓
Hi High (pH 8-9.5) 1.61 3.19 -3.95 1 3 0 28 253.415 5 ↓
Hi High (pH 8-9.5) 1.61 5.43 -29.92 2 3 1 29 254.423 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.61 6.71 -84.97 3 3 2 34 255.431 5 ↓
Hi High (pH 8-9.5) 1.61 5.49 -29.55 2 3 1 29 254.423 5 ↓
Hi High (pH 8-9.5) 1.61 3.3 -3.27 1 3 0 28 253.415 5 ↓

Analogs

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

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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) 2.12 7.08 -82.94 3 3 2 34 269.458 5 ↓
Hi High (pH 8-9.5) 2.12 3.6 -3.82 1 3 0 28 267.442 5 ↓
Hi High (pH 8-9.5) 2.12 5.83 -29.76 2 3 1 29 268.45 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.12 7.14 -83.54 3 3 2 34 269.458 5 ↓
Hi High (pH 8-9.5) 2.12 3.71 -3.21 1 3 0 28 267.442 5 ↓
Hi High (pH 8-9.5) 2.12 5.9 -29.33 2 3 1 29 268.45 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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 7.57 -87.23 3 3 2 34 269.458 6 ↓
Hi High (pH 8-9.5) 2.06 5.34 -37.2 2 3 1 33 268.45 6 ↓
Hi High (pH 8-9.5) 2.06 6.2 -30.07 2 3 1 29 268.45 6 ↓

Analogs

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

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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 7.64 -87.98 3 3 2 34 269.458 6 ↓
Hi High (pH 8-9.5) 2.06 5.45 -37.73 2 3 1 33 268.45 6 ↓
Hi High (pH 8-9.5) 2.06 6.26 -29.59 2 3 1 29 268.45 6 ↓

Analogs

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Popular Name: [4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]thiazol-2-yl]methanamine [4-[[(2R)-2-methylpyrrolidin-1-y…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.56 3.4 -91 4 3 2 45 213.35 3 ↓
Hi High (pH 8-9.5) 0.56 0.75 -6.02 2 3 0 42 211.334 3 ↓
Mid Mid (pH 6-8) 0.56 2.99 -30.39 3 3 1 43 212.342 3 ↓

Analogs

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Popular Name: [4-[[(2S)-2-methylpyrrolidin-1-yl]methyl]thiazol-2-yl]methanamine [4-[[(2S)-2-methylpyrrolidin-1-y…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.56 3.46 -91.7 4 3 2 45 213.35 3 ↓
Hi High (pH 8-9.5) 0.56 0.86 -5.14 2 3 0 42 211.334 3 ↓
Mid Mid (pH 6-8) 0.56 3.05 -29.86 3 3 1 43 212.342 3 ↓

Analogs

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Popular Name: N-methyl-1-[4-(pyrrolidin-1-ylmethyl)thiazol-2-yl]methanamine N-methyl-1-[4-(pyrrolidin-1-ylme…

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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 4.75 -87.39 3 3 2 34 213.35 4 ↓
Hi High (pH 8-9.5) 0.60 3.3 -31.41 2 3 1 29 212.342 4 ↓
Hi High (pH 8-9.5) 0.60 0.81 -4.77 1 3 0 28 211.334 4 ↓

Analogs

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Popular Name: N-[[4-(pyrrolidin-1-ylmethyl)thiazol-2-yl]methyl]ethanamine N-[[4-(pyrrolidin-1-ylmethyl)thi…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.98 5.61 -86.96 3 3 2 34 227.377 5 ↓
Hi High (pH 8-9.5) 0.98 4.23 -31.17 2 3 1 29 226.369 5 ↓
Hi High (pH 8-9.5) 0.98 1.74 -4.63 1 3 0 28 225.361 5 ↓

Analogs

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

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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) 1.48 6.36 -88.47 3 3 2 34 241.404 6 ↓
Hi High (pH 8-9.5) 1.48 5 -31.14 2 3 1 29 240.396 6 ↓
Hi High (pH 8-9.5) 1.48 2.5 -4.45 1 3 0 28 239.388 6 ↓

Analogs

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.28 6.14 -85.92 3 3 2 34 241.404 5 ↓
Hi High (pH 8-9.5) 1.28 4.93 -30.95 2 3 1 29 240.396 5 ↓
Hi High (pH 8-9.5) 1.28 2.43 -4.4 1 3 0 28 239.388 5 ↓

Analogs

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

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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) 1.79 6.57 -84.56 3 3 2 34 255.431 5 ↓
Hi High (pH 8-9.5) 1.79 5.31 -30.93 2 3 1 29 254.423 5 ↓
Hi High (pH 8-9.5) 1.79 2.82 -4.32 1 3 0 28 253.415 5 ↓

Analogs

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.73 7.05 -88.94 3 3 2 34 255.431 6 ↓
Hi High (pH 8-9.5) 1.73 4.56 -38.13 2 3 1 33 254.423 6 ↓
Hi High (pH 8-9.5) 1.73 5.83 -30.97 2 3 1 29 254.423 6 ↓

Analogs

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

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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 5.49 -88.36 3 3 2 34 227.377 4 ↓

Analogs

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

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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 5.31 -88.45 3 3 2 34 227.377 4 ↓

Analogs

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Popular Name: N-[[4-[[(3S)-3-methylpyrrolidin-1-yl]methyl]thiazol-2-yl]methyl]ethanamine N-[[4-[[(3S)-3-methylpyrrolidin-…

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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) 1.46 6.21 -87.8 3 3 2 34 241.404 5 ↓

Analogs

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Popular Name: N-[[4-[[(3R)-3-methylpyrrolidin-1-yl]methyl]thiazol-2-yl]methyl]ethanamine N-[[4-[[(3R)-3-methylpyrrolidin-…

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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) 1.46 6.2 -87.87 3 3 2 34 241.404 5 ↓

Analogs

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

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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 6.96 -89.31 3 3 2 34 255.431 6 ↓

Analogs

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

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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 6.95 -89.39 3 3 2 34 255.431 6 ↓

Analogs

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

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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 6.87 -86.92 3 3 2 34 255.431 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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 6.71 -87.09 3 3 2 34 255.431 5 ↓

Analogs

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

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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) 2.27 7.31 -85.57 3 3 2 34 269.458 5 ↓

Analogs

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

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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) 2.27 7.12 -85.68 3 3 2 34 269.458 5 ↓

Analogs

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

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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) 2.20 7.79 -89.93 3 3 2 34 269.458 6 ↓

Analogs

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

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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) 2.20 7.62 -90.01 3 3 2 34 269.458 6 ↓

Analogs

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Popular Name: [4-[[(3R)-3-methylpyrrolidin-1-yl]methyl]thiazol-2-yl]methanamine [4-[[(3R)-3-methylpyrrolidin-1-y…

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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) 0.70 3.62 -93.66 4 3 2 45 213.35 3 ↓
Mid Mid (pH 6-8) 0.70 3.21 -31.81 3 3 1 43 212.342 3 ↓

Analogs

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Popular Name: [4-[[(3S)-3-methylpyrrolidin-1-yl]methyl]thiazol-2-yl]methanamine [4-[[(3S)-3-methylpyrrolidin-1-y…

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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) 0.70 3.44 -93.72 4 3 2 45 213.35 3 ↓
Mid Mid (pH 6-8) 0.70 3.04 -31.79 3 3 1 43 212.342 3 ↓

Analogs

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Popular Name: (3R)-1-[(2-isopropylthiazol-4-yl)methyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[(2-isopropylthiazol-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) 1.67 7.75 -48.24 1 4 0 57 268.382 4 ↓
Hi High (pH 8-9.5) 1.67 5.29 -52.77 0 4 -1 56 267.374 4 ↓

Analogs

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Popular Name: (3S)-1-[(2-isopropylthiazol-4-yl)methyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[(2-isopropylthiazol-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) 1.67 7.86 -42.54 1 4 0 57 268.382 4 ↓
Hi High (pH 8-9.5) 1.67 5.36 -47.83 0 4 -1 56 267.374 4 ↓

Parameters Provided:

ring.id = 9369
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 = 9369 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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