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

6705552
6705552
33721006
33721006
4927157
4927157
5095943
5095943
5096146
5096146

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Popular Name: N-[4-(2-pyrrolidin-1-ylthiazol-4-yl)phenyl]propanamide N-[4-(2-pyrrolidin-1-ylthiazol-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) 3.23 -3.09 -14.26 1 4 0 45 301.415 4 ↓

Analogs

6654769
6654769
33779165
33779165
4927157
4927157
4379420
4379420
4408430
4408430

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Popular Name: N-[4-(2-pyrrolidin-1-ylthiazol-4-yl)phenyl]acetamide N-[4-(2-pyrrolidin-1-ylthiazol-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) 2.39 -3.14 -11.6 1 4 0 45 287.388 3 ↓

Analogs

7274567
7274567
7763256
7763256
7844091
7844091
7844178
7844178
8327820
8327820

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Popular Name: 4-(2,4-dimethoxyphenyl)-2-pyrrolidin-1-yl-thiazole 4-(2,4-dimethoxyphenyl)-2-pyrrol…

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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) 3.21 7.55 -10.43 0 4 0 35 290.388 4 ↓
Mid Mid (pH 6-8) 3.21 7.61 -23.92 1 4 1 36 291.396 4 ↓

Analogs

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Popular Name: (3S)-3-methyl-1-(4-phenylthiazol-2-yl)pyrrolidine-3-carboxylic (3S)-3-methyl-1-(4-phenylthiazol…

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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) 2.76 9.44 -45.52 0 4 -1 56 287.364 3 ↓
Lo Low (pH 4.5-6) 2.76 9.79 -44.37 1 4 0 58 288.372 3 ↓

Analogs

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Popular Name: (3R)-3-methyl-1-(4-phenylthiazol-2-yl)pyrrolidine-3-carboxylic (3R)-3-methyl-1-(4-phenylthiazol…

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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) 2.76 9.48 -43.84 0 4 -1 56 287.364 3 ↓
Lo Low (pH 4.5-6) 2.76 9.83 -43.81 1 4 0 58 288.372 3 ↓

Analogs

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Popular Name: (3S)-3-ethyl-1-(4-phenylthiazol-2-yl)pyrrolidine-3-carboxylic (3S)-3-ethyl-1-(4-phenylthiazol-…

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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) 3.09 9.92 -44.76 0 4 -1 56 301.391 4 ↓
Lo Low (pH 4.5-6) 3.09 10.28 -43.29 1 4 0 58 302.399 4 ↓

Analogs

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Popular Name: (3R)-3-ethyl-1-(4-phenylthiazol-2-yl)pyrrolidine-3-carboxylic (3R)-3-ethyl-1-(4-phenylthiazol-…

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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) 3.09 9.94 -47.15 0 4 -1 56 301.391 4 ↓
Lo Low (pH 4.5-6) 3.09 10.38 -40.35 1 4 0 58 302.399 4 ↓

Analogs

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Popular Name: 2-[(2R)-2-ethylpyrrolidin-1-yl]-4-phenyl-thiazole-5-carbaldehyde 2-[(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) 4.06 9.11 -9.8 0 3 0 33 286.4 4 ↓

Analogs

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Popular Name: 2-[(2S)-2-ethylpyrrolidin-1-yl]-4-phenyl-thiazole-5-carbaldehyde 2-[(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) 4.06 9.11 -9.8 0 3 0 33 286.4 4 ↓

Analogs

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Popular Name: 2-[(2R)-2-methylpyrrolidin-1-yl]-4-phenyl-thiazole-5-carbaldehyde 2-[(2R)-2-methylpyrrolidin-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) 3.53 8.45 -9.96 0 3 0 33 272.373 3 ↓

Analogs

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Popular Name: 2-[(2S)-2-methylpyrrolidin-1-yl]-4-phenyl-thiazole-5-carbaldehyde 2-[(2S)-2-methylpyrrolidin-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) 3.53 8.42 -9.97 0 3 0 33 272.373 3 ↓

Analogs

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Popular Name: 4-phenyl-2-pyrrolidin-1-yl-thiazole-5-carbaldehyde 4-phenyl-2-pyrrolidin-1-yl-thiaz…

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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) 3.20 7.9 -9.82 0 3 0 33 258.346 3 ↓

Analogs

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Popular Name: 2-[(3R)-3-methylpyrrolidin-1-yl]-4-phenyl-thiazole-5-carbaldehyde 2-[(3R)-3-methylpyrrolidin-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) 3.67 8.51 -9.35 0 3 0 33 272.373 3 ↓

Analogs

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Popular Name: 2-[(3S)-3-methylpyrrolidin-1-yl]-4-phenyl-thiazole-5-carbaldehyde 2-[(3S)-3-methylpyrrolidin-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) 3.67 8.51 -9.35 0 3 0 33 272.373 3 ↓

Analogs

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Popular Name: 2-[(2R)-2-ethylpyrrolidin-1-yl]-4-phenyl-thiazole-5-carboxylic 2-[(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) 3.85 8.47 -60.52 0 4 -1 56 301.391 4 ↓
Lo Low (pH 4.5-6) 3.85 8.92 -41.53 1 4 0 58 302.399 4 ↓

Analogs

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Popular Name: 2-[(2S)-2-ethylpyrrolidin-1-yl]-4-phenyl-thiazole-5-carboxylic 2-[(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) 3.85 8.47 -60.26 0 4 -1 56 301.391 4 ↓
Lo Low (pH 4.5-6) 3.85 8.91 -41.64 1 4 0 58 302.399 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R)-2-methylpyrrolidin-1-yl]-4-phenyl-thiazole-5-carboxylic 2-[(2R)-2-methylpyrrolidin-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) 3.31 7.8 -60.41 0 4 -1 56 287.364 3 ↓
Lo Low (pH 4.5-6) 3.31 8.26 -41.8 1 4 0 58 288.372 3 ↓

Analogs

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Popular Name: 2-[(2S)-2-methylpyrrolidin-1-yl]-4-phenyl-thiazole-5-carboxylic 2-[(2S)-2-methylpyrrolidin-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) 3.31 7.78 -60.41 0 4 -1 56 287.364 3 ↓
Lo Low (pH 4.5-6) 3.31 8.23 -41.89 1 4 0 58 288.372 3 ↓

Analogs

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Popular Name: 4-phenyl-2-pyrrolidin-1-yl-thiazole-5-carboxylic 4-phenyl-2-pyrrolidin-1-yl-thiaz…

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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) 2.98 7.27 -59.29 0 4 -1 56 273.337 3 ↓
Lo Low (pH 4.5-6) 2.98 7.7 -41.92 1 4 0 58 274.345 3 ↓

Analogs

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Popular Name: 2-[(3R)-3-methylpyrrolidin-1-yl]-4-phenyl-thiazole-5-carboxylic 2-[(3R)-3-methylpyrrolidin-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) 3.46 7.87 -58.66 0 4 -1 56 287.364 3 ↓
Lo Low (pH 4.5-6) 3.46 8.31 -41.42 1 4 0 58 288.372 3 ↓

Analogs

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Popular Name: 2-[(3S)-3-methylpyrrolidin-1-yl]-4-phenyl-thiazole-5-carboxylic 2-[(3S)-3-methylpyrrolidin-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) 3.46 7.88 -58.8 0 4 -1 56 287.364 3 ↓
Lo Low (pH 4.5-6) 3.46 8.33 -41.62 1 4 0 58 288.372 3 ↓

Analogs

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Popular Name: 1-[2-[(2R)-2-ethylpyrrolidin-1-yl]-4-phenyl-thiazol-5-yl]-N-methyl-methanamine 1-[2-[(2R)-2-ethylpyrrolidin-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) 3.83 9.69 -37.37 2 3 1 33 302.467 5 ↓
Hi High (pH 8-9.5) 3.83 8.26 -6.96 1 3 0 28 301.459 5 ↓

Analogs

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Popular Name: 1-[2-[(2S)-2-ethylpyrrolidin-1-yl]-4-phenyl-thiazol-5-yl]-N-methyl-methanamine 1-[2-[(2S)-2-ethylpyrrolidin-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) 3.83 9.67 -37.04 2 3 1 33 302.467 5 ↓
Hi High (pH 8-9.5) 3.83 8.2 -7.04 1 3 0 28 301.459 5 ↓

Analogs

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Popular Name: [2-[(2R)-2-ethylpyrrolidin-1-yl]-4-phenyl-thiazol-5-yl]methanamine [2-[(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) 3.46 7.82 -42.62 3 3 1 44 288.44 4 ↓
Mid Mid (pH 6-8) 3.46 7.56 -7.8 2 3 0 42 287.432 4 ↓

Analogs

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Popular Name: [2-[(2S)-2-ethylpyrrolidin-1-yl]-4-phenyl-thiazol-5-yl]methanamine [2-[(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) 3.46 7.79 -42.34 3 3 1 44 288.44 4 ↓
Mid Mid (pH 6-8) 3.46 7.55 -7.75 2 3 0 42 287.432 4 ↓

Analogs

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Popular Name: N-methyl-1-[2-[(2R)-2-methylpyrrolidin-1-yl]-4-phenyl-thiazol-5-yl]methanamine N-methyl-1-[2-[(2R)-2-methylpyrr…

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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) 3.30 9.03 -37.33 2 3 1 33 288.44 4 ↓
Hi High (pH 8-9.5) 3.30 7.58 -6.91 1 3 0 28 287.432 4 ↓

Analogs

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Popular Name: N-methyl-1-[2-[(2S)-2-methylpyrrolidin-1-yl]-4-phenyl-thiazol-5-yl]methanamine N-methyl-1-[2-[(2S)-2-methylpyrr…

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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) 3.30 9.04 -37.34 2 3 1 33 288.44 4 ↓
Hi High (pH 8-9.5) 3.30 7.59 -6.94 1 3 0 28 287.432 4 ↓

Analogs

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Popular Name: N-[[2-[(2S)-2-methylpyrrolidin-1-yl]-4-phenyl-thiazol-5-yl]methyl]ethanamine N-[[2-[(2S)-2-methylpyrrolidin-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) 3.67 9.88 -36.3 2 3 1 33 302.467 5 ↓
Hi High (pH 8-9.5) 3.67 9.28 -6.73 1 3 0 28 301.459 5 ↓

Analogs

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Popular Name: N-[[2-[(2R)-2-methylpyrrolidin-1-yl]-4-phenyl-thiazol-5-yl]methyl]ethanamine N-[[2-[(2R)-2-methylpyrrolidin-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) 3.67 9.89 -36.24 2 3 1 33 302.467 5 ↓
Hi High (pH 8-9.5) 3.67 9.3 -6.76 1 3 0 28 301.459 5 ↓

Analogs

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Popular Name: [2-[(2R)-2-methylpyrrolidin-1-yl]-4-phenyl-thiazol-5-yl]methanamine [2-[(2R)-2-methylpyrrolidin-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) 2.92 7.15 -42.64 3 3 1 44 274.413 3 ↓
Mid Mid (pH 6-8) 2.92 6.54 -7.63 2 3 0 42 273.405 3 ↓

Analogs

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Popular Name: [2-[(2S)-2-methylpyrrolidin-1-yl]-4-phenyl-thiazol-5-yl]methanamine [2-[(2S)-2-methylpyrrolidin-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) 2.92 7.16 -42.74 3 3 1 44 274.413 3 ↓
Mid Mid (pH 6-8) 2.92 6.54 -7.64 2 3 0 42 273.405 3 ↓

Analogs

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Popular Name: N-methyl-1-(4-phenyl-2-pyrrolidin-1-yl-thiazol-5-yl)methanamine N-methyl-1-(4-phenyl-2-pyrrolidi…

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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) 2.97 8.26 -37.73 2 3 1 33 274.413 4 ↓
Hi High (pH 8-9.5) 2.97 7.61 -7.11 1 3 0 28 273.405 4 ↓

Analogs

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Popular Name: N-[(4-phenyl-2-pyrrolidin-1-yl-thiazol-5-yl)methyl]ethanamine N-[(4-phenyl-2-pyrrolidin-1-yl-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) 3.34 9.11 -36.6 2 3 1 33 288.44 5 ↓
Hi High (pH 8-9.5) 3.34 8.52 -6.89 1 3 0 28 287.432 5 ↓

Analogs

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Popular Name: N-[(4-phenyl-2-pyrrolidin-1-yl-thiazol-5-yl)methyl]propan-1-amine N-[(4-phenyl-2-pyrrolidin-1-yl-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) 3.85 9.88 -37.19 2 3 1 33 302.467 6 ↓
Hi High (pH 8-9.5) 3.85 9.28 -6.73 1 3 0 28 301.459 6 ↓

Analogs

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Popular Name: N-[(4-phenyl-2-pyrrolidin-1-yl-thiazol-5-yl)methyl]propan-2-amine N-[(4-phenyl-2-pyrrolidin-1-yl-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) 3.64 9.65 -34.87 2 3 1 33 302.467 5 ↓
Hi High (pH 8-9.5) 3.64 9.08 -6.84 1 3 0 28 301.459 5 ↓

Analogs

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Popular Name: (4-phenyl-2-pyrrolidin-1-yl-thiazol-5-yl)methanamine (4-phenyl-2-pyrrolidin-1-yl-thia…

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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 6.38 -43.16 3 3 1 44 260.386 3 ↓
Mid Mid (pH 6-8) 2.59 6.33 -7.98 2 3 0 42 259.378 3 ↓

Analogs

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Popular Name: N-methyl-1-[2-[(3R)-3-methylpyrrolidin-1-yl]-4-phenyl-thiazol-5-yl]methanamine N-methyl-1-[2-[(3R)-3-methylpyrr…

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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) 3.44 8.88 -37.59 2 3 1 33 288.44 4 ↓
Hi High (pH 8-9.5) 3.44 7.42 -6.78 1 3 0 28 287.432 4 ↓

Analogs

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Popular Name: N-methyl-1-[2-[(3S)-3-methylpyrrolidin-1-yl]-4-phenyl-thiazol-5-yl]methanamine N-methyl-1-[2-[(3S)-3-methylpyrr…

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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) 3.44 8.89 -37.81 2 3 1 33 288.44 4 ↓
Hi High (pH 8-9.5) 3.44 7.43 -6.91 1 3 0 28 287.432 4 ↓

Analogs

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Popular Name: N-[[2-[(3S)-3-methylpyrrolidin-1-yl]-4-phenyl-thiazol-5-yl]methyl]ethanamine N-[[2-[(3S)-3-methylpyrrolidin-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) 3.82 9.72 -36.53 2 3 1 33 302.467 5 ↓
Hi High (pH 8-9.5) 3.82 9.13 -6.6 1 3 0 28 301.459 5 ↓

Analogs

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Popular Name: N-[[2-[(3R)-3-methylpyrrolidin-1-yl]-4-phenyl-thiazol-5-yl]methyl]ethanamine N-[[2-[(3R)-3-methylpyrrolidin-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) 3.82 9.72 -36.76 2 3 1 33 302.467 5 ↓
Hi High (pH 8-9.5) 3.82 9.13 -6.8 1 3 0 28 301.459 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(3R)-3-methylpyrrolidin-1-yl]-4-phenyl-thiazol-5-yl]methanamine [2-[(3R)-3-methylpyrrolidin-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) 3.07 7 -42.93 3 3 1 44 274.413 3 ↓
Mid Mid (pH 6-8) 3.07 6.62 -7.17 2 3 0 42 273.405 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(3S)-3-methylpyrrolidin-1-yl]-4-phenyl-thiazol-5-yl]methanamine [2-[(3S)-3-methylpyrrolidin-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) 3.07 7.01 -43.11 3 3 1 44 274.413 3 ↓
Mid Mid (pH 6-8) 3.07 6.62 -7.14 2 3 0 42 273.405 3 ↓

Analogs

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Popular Name: [2-[(2R)-2-ethylpyrrolidin-1-yl]-4-phenyl-thiazol-5-yl]methanol [2-[(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) 3.61 7.16 -9.84 1 3 0 36 288.416 4 ↓
Lo Low (pH 4.5-6) 3.61 7.3 -22.98 2 3 1 38 289.424 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(2S)-2-ethylpyrrolidin-1-yl]-4-phenyl-thiazol-5-yl]methanol [2-[(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) 3.61 7.15 -9.9 1 3 0 36 288.416 4 ↓
Lo Low (pH 4.5-6) 3.61 7.3 -23.03 2 3 1 38 289.424 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(2R)-2-methylpyrrolidin-1-yl]-4-phenyl-thiazol-5-yl]methanol [2-[(2R)-2-methylpyrrolidin-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) 3.08 6.48 -9.99 1 3 0 36 274.389 3 ↓
Lo Low (pH 4.5-6) 3.08 6.63 -23.1 2 3 1 38 275.397 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(2S)-2-methylpyrrolidin-1-yl]-4-phenyl-thiazol-5-yl]methanol [2-[(2S)-2-methylpyrrolidin-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) 3.08 6.48 -9.99 1 3 0 36 274.389 3 ↓
Lo Low (pH 4.5-6) 3.08 6.61 -23.14 2 3 1 38 275.397 3 ↓

Analogs

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Popular Name: (4-phenyl-2-pyrrolidin-1-yl-thiazol-5-yl)methanol (4-phenyl-2-pyrrolidin-1-yl-thia…

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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) 2.75 5.94 -9.96 1 3 0 36 260.362 3 ↓
Lo Low (pH 4.5-6) 2.75 6.09 -23.54 2 3 1 38 261.37 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(3R)-3-methylpyrrolidin-1-yl]-4-phenyl-thiazol-5-yl]methanol [2-[(3R)-3-methylpyrrolidin-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) 3.22 6.56 -9.41 1 3 0 36 274.389 3 ↓
Lo Low (pH 4.5-6) 3.22 6.71 -23.51 2 3 1 38 275.397 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(3S)-3-methylpyrrolidin-1-yl]-4-phenyl-thiazol-5-yl]methanol [2-[(3S)-3-methylpyrrolidin-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) 3.22 6.56 -9.4 1 3 0 36 274.389 3 ↓
Lo Low (pH 4.5-6) 3.22 6.71 -23.59 2 3 1 38 275.397 3 ↓

Parameters Provided:

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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 = 3395 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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