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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-[(3R)-1-ethylpyrrolidin-3-yl]-N-(thiazol-5-ylmethyl)methanamine 1-[(3R)-1-ethylpyrrolidin-3-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) 1.57 4.27 -36.13 2 3 1 29 226.369 5 ↓
Lo Low (pH 4.5-6) 1.57 5.63 -106.3 3 3 2 34 227.377 5 ↓

Analogs

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Popular Name: 1-[(3S)-1-ethylpyrrolidin-3-yl]-N-(thiazol-5-ylmethyl)methanamine 1-[(3S)-1-ethylpyrrolidin-3-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) 1.57 4.33 -35.6 2 3 1 29 226.369 5 ↓
Lo Low (pH 4.5-6) 1.57 5.65 -105.96 3 3 2 34 227.377 5 ↓

Analogs

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Popular Name: 1-[(3R)-1-methylpyrrolidin-3-yl]-N-(thiazol-5-ylmethyl)methanamine 1-[(3R)-1-methylpyrrolidin-3-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) 1.20 3.54 -37.25 2 3 1 29 212.342 4 ↓
Lo Low (pH 4.5-6) 1.20 4.9 -106.53 3 3 2 34 213.35 4 ↓

Analogs

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Popular Name: 1-[(3S)-1-methylpyrrolidin-3-yl]-N-(thiazol-5-ylmethyl)methanamine 1-[(3S)-1-methylpyrrolidin-3-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) 1.20 3.61 -36.42 2 3 1 29 212.342 4 ↓
Lo Low (pH 4.5-6) 1.20 4.93 -105.23 3 3 2 34 213.35 4 ↓

Analogs

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Popular Name: 1-thiazol-5-yl-N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]methanamine 1-thiazol-5-yl-N-[[(3S)-1-(2,2,2…

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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) 2.12 3.58 -50.77 2 3 1 33 280.339 6 ↓
Hi High (pH 8-9.5) 2.12 2.21 -6.45 1 3 0 28 279.331 6 ↓

Analogs

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Popular Name: 1-thiazol-5-yl-N-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]methanamine 1-thiazol-5-yl-N-[[(3R)-1-(2,2,2…

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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) 2.12 3.5 -50.67 2 3 1 33 280.339 6 ↓
Hi High (pH 8-9.5) 2.12 2.16 -6.42 1 3 0 28 279.331 6 ↓

Analogs

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Popular Name: 1-[(3R)-1-isopropylpyrrolidin-3-yl]-N-(thiazol-5-ylmethyl)methanamine 1-[(3R)-1-isopropylpyrrolidin-3-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.87 4.75 -35.28 2 3 1 29 240.396 5 ↓
Lo Low (pH 4.5-6) 1.87 6.11 -106.84 3 3 2 34 241.404 5 ↓

Analogs

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Popular Name: 1-[(3S)-1-isopropylpyrrolidin-3-yl]-N-(thiazol-5-ylmethyl)methanamine 1-[(3S)-1-isopropylpyrrolidin-3-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.87 4.83 -34.34 2 3 1 29 240.396 5 ↓
Lo Low (pH 4.5-6) 1.87 6.14 -105.73 3 3 2 34 241.404 5 ↓

Analogs

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Popular Name: 1-(2-tert-butylthiazol-5-yl)-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]methanamine 1-(2-tert-butylthiazol-5-yl)-N-[…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.64 6.13 -36.62 2 3 1 29 268.45 5 ↓
Lo Low (pH 4.5-6) 2.64 7.49 -106.45 3 3 2 34 269.458 5 ↓

Analogs

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Popular Name: 1-(2-tert-butylthiazol-5-yl)-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]methanamine 1-(2-tert-butylthiazol-5-yl)-N-[…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.64 6.16 -36.21 2 3 1 29 268.45 5 ↓
Lo Low (pH 4.5-6) 2.64 7.49 -105.43 3 3 2 34 269.458 5 ↓

Analogs

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Popular Name: (1R)-1-(2,4-dimethylthiazol-5-yl)-N-[[(3R)-3-methylpyrrolidin-3-yl]methyl]ethanamine (1R)-1-(2,4-dimethylthiazol-5-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) 1.69 4.05 -44 3 3 1 42 254.423 4 ↓
Lo Low (pH 4.5-6) 1.69 5.03 -109.16 4 3 2 46 255.431 4 ↓

Analogs

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Popular Name: (1S)-1-(2,4-dimethylthiazol-5-yl)-N-[[(3R)-3-methylpyrrolidin-3-yl]methyl]ethanamine (1S)-1-(2,4-dimethylthiazol-5-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) 1.69 4.04 -42.04 3 3 1 42 254.423 4 ↓
Lo Low (pH 4.5-6) 1.69 5.04 -108.54 4 3 2 46 255.431 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(2,4-dimethylthiazol-5-yl)-N-[[(3S)-3-methylpyrrolidin-3-yl]methyl]ethanamine (1R)-1-(2,4-dimethylthiazol-5-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) 1.69 3.89 -42.13 3 3 1 42 254.423 4 ↓
Lo Low (pH 4.5-6) 1.69 4.99 -107.51 4 3 2 46 255.431 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2,4-dimethylthiazol-5-yl)-N-[[(3S)-3-methylpyrrolidin-3-yl]methyl]ethanamine (1S)-1-(2,4-dimethylthiazol-5-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) 1.69 3.87 -41.62 3 3 1 42 254.423 4 ↓
Lo Low (pH 4.5-6) 1.69 5 -107.3 4 3 2 46 255.431 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2,4-dimethylthiazol-5-yl)-N-[[(3S)-3-ethylpyrrolidin-3-yl]methyl]ethanamine (1S)-1-(2,4-dimethylthiazol-5-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) 2.03 4.56 -44.78 3 3 1 42 268.45 5 ↓
Lo Low (pH 4.5-6) 2.03 5.53 -109.83 4 3 2 46 269.458 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2,4-dimethylthiazol-5-yl)-N-[[(3R)-3-ethylpyrrolidin-3-yl]methyl]ethanamine (1S)-1-(2,4-dimethylthiazol-5-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) 2.03 4.4 -42.37 3 3 1 42 268.45 5 ↓
Lo Low (pH 4.5-6) 2.03 5.4 -110.88 4 3 2 46 269.458 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(2,4-dimethylthiazol-5-yl)-N-[[(3S)-3-ethylpyrrolidin-3-yl]methyl]ethanamine (1R)-1-(2,4-dimethylthiazol-5-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) 2.03 4.56 -42.63 3 3 1 42 268.45 5 ↓
Lo Low (pH 4.5-6) 2.03 5.56 -109.13 4 3 2 46 269.458 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(2,4-dimethylthiazol-5-yl)-N-[[(3R)-3-ethylpyrrolidin-3-yl]methyl]ethanamine (1R)-1-(2,4-dimethylthiazol-5-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) 2.03 4.37 -42.54 3 3 1 42 268.45 5 ↓
Lo Low (pH 4.5-6) 2.03 5.43 -110.83 4 3 2 46 269.458 5 ↓

Analogs

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Popular Name: (1S)-1-(2,4-dimethylthiazol-5-yl)-N-[[(3S)-3-propylpyrrolidin-3-yl]methyl]ethanamine (1S)-1-(2,4-dimethylthiazol-5-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) 2.59 5.33 -45.46 3 3 1 42 282.477 6 ↓
Lo Low (pH 4.5-6) 2.59 6.29 -112.18 4 3 2 46 283.485 6 ↓

Analogs

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Popular Name: (1S)-1-(2,4-dimethylthiazol-5-yl)-N-[[(3R)-3-propylpyrrolidin-3-yl]methyl]ethanamine (1S)-1-(2,4-dimethylthiazol-5-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) 2.59 5.17 -42.96 3 3 1 42 282.477 6 ↓
Lo Low (pH 4.5-6) 2.59 6.12 -112.94 4 3 2 46 283.485 6 ↓

Analogs

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Popular Name: (1R)-1-(2,4-dimethylthiazol-5-yl)-N-[[(3S)-3-propylpyrrolidin-3-yl]methyl]ethanamine (1R)-1-(2,4-dimethylthiazol-5-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) 2.59 5.33 -43.2 3 3 1 42 282.477 6 ↓
Lo Low (pH 4.5-6) 2.59 6.31 -111.36 4 3 2 46 283.485 6 ↓

Analogs

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Popular Name: (1R)-1-(2,4-dimethylthiazol-5-yl)-N-[[(3R)-3-propylpyrrolidin-3-yl]methyl]ethanamine (1R)-1-(2,4-dimethylthiazol-5-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) 2.59 5.16 -43.12 3 3 1 42 282.477 6 ↓
Lo Low (pH 4.5-6) 2.59 6.15 -113 4 3 2 46 283.485 6 ↓

Analogs

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Popular Name: N-[[(3R)-3-methylpyrrolidin-3-yl]methyl]-1-(2-methylthiazol-5-yl)methanamine N-[[(3R)-3-methylpyrrolidin-3-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) 0.91 2.88 -41.89 3 3 1 42 226.369 4 ↓
Lo Low (pH 4.5-6) 0.91 4.03 -109.07 4 3 2 46 227.377 4 ↓

Analogs

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Popular Name: N-[[(3S)-3-methylpyrrolidin-3-yl]methyl]-1-(2-methylthiazol-5-yl)methanamine N-[[(3S)-3-methylpyrrolidin-3-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) 0.91 2.71 -40.94 3 3 1 42 226.369 4 ↓
Lo Low (pH 4.5-6) 0.91 4 -107.71 4 3 2 46 227.377 4 ↓

Analogs

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Popular Name: 1-[(3S)-3-ethylpyrrolidin-3-yl]-N-[(2-methylthiazol-5-yl)methyl]methanamine 1-[(3S)-3-ethylpyrrolidin-3-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) 1.25 3.39 -42.93 3 3 1 42 240.396 5 ↓
Lo Low (pH 4.5-6) 1.25 4.58 -113 4 3 2 46 241.404 5 ↓

Analogs

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Popular Name: 1-[(3R)-3-ethylpyrrolidin-3-yl]-N-[(2-methylthiazol-5-yl)methyl]methanamine 1-[(3R)-3-ethylpyrrolidin-3-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) 1.25 3.22 -41.33 3 3 1 42 240.396 5 ↓
Lo Low (pH 4.5-6) 1.25 4.5 -110.2 4 3 2 46 241.404 5 ↓

Analogs

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Popular Name: N-[(2-methylthiazol-5-yl)methyl]-1-[(3S)-3-propylpyrrolidin-3-yl]methanamine N-[(2-methylthiazol-5-yl)methyl]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.81 4.17 -43.56 3 3 1 42 254.423 6 ↓
Lo Low (pH 4.5-6) 1.81 5.33 -114.97 4 3 2 46 255.431 6 ↓

Analogs

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Popular Name: N-[(2-methylthiazol-5-yl)methyl]-1-[(3R)-3-propylpyrrolidin-3-yl]methanamine N-[(2-methylthiazol-5-yl)methyl]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.81 3.99 -41.93 3 3 1 42 254.423 6 ↓
Lo Low (pH 4.5-6) 1.81 5.27 -112.49 4 3 2 46 255.431 6 ↓

Parameters Provided:

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

Structural Results Found: (before additional filtering)

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SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 154305 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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