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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-[3-(imidazol-1-ylmethyl)benzothiophen-2-yl]-N-methyl-methanamine 1-[3-(imidazol-1-ylmethyl)benzot…

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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) 2.28 9.35 -102.53 3 3 2 36 259.378 4 ↓
Hi High (pH 8-9.5) 2.28 7.39 -8.05 1 3 0 30 257.362 4 ↓
Mid Mid (pH 6-8) 2.28 8.84 -52.92 2 3 1 34 258.37 4 ↓

Analogs

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Popular Name: N-[[3-(imidazol-1-ylmethyl)benzothiophen-2-yl]methyl]ethanamine N-[[3-(imidazol-1-ylmethyl)benzo…

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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) 2.66 10.22 -102.63 3 3 2 36 273.405 5 ↓
Hi High (pH 8-9.5) 2.66 8.33 -7.92 1 3 0 30 271.389 5 ↓
Mid Mid (pH 6-8) 2.66 9.71 -51.87 2 3 1 34 272.397 5 ↓

Analogs

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Popular Name: N-[[3-(imidazol-1-ylmethyl)benzothiophen-2-yl]methyl]propan-1-amine N-[[3-(imidazol-1-ylmethyl)benzo…

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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) 3.16 10.97 -104.23 3 3 2 36 287.432 6 ↓
Hi High (pH 8-9.5) 3.16 9.09 -7.76 1 3 0 30 285.416 6 ↓
Mid Mid (pH 6-8) 3.16 10.46 -52.79 2 3 1 34 286.424 6 ↓

Analogs

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Popular Name: N-[[3-(imidazol-1-ylmethyl)benzothiophen-2-yl]methyl]propan-2-amine N-[[3-(imidazol-1-ylmethyl)benzo…

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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) 2.96 10.74 -99.94 3 3 2 36 287.432 5 ↓
Hi High (pH 8-9.5) 2.96 9.02 -7.72 1 3 0 30 285.416 5 ↓
Mid Mid (pH 6-8) 2.96 10.24 -49.92 2 3 1 34 286.424 5 ↓

Analogs

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Popular Name: N-[[3-(imidazol-1-ylmethyl)benzothiophen-2-yl]methyl]-2-methyl-propan-2-amine N-[[3-(imidazol-1-ylmethyl)benzo…

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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) 3.47 11.17 -98.52 3 3 2 36 301.459 5 ↓
Hi High (pH 8-9.5) 3.47 9.41 -7.5 1 3 0 30 299.443 5 ↓
Mid Mid (pH 6-8) 3.47 10.66 -46.97 2 3 1 34 300.451 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-(imidazol-1-ylmethyl)benzothiophen-2-yl]methyl]-2-methyl-propan-1-amine N-[[3-(imidazol-1-ylmethyl)benzo…

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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) 3.40 11.66 -104.59 3 3 2 36 301.459 6 ↓
Hi High (pH 8-9.5) 3.40 9.92 -7.56 1 3 0 30 299.443 6 ↓
Mid Mid (pH 6-8) 3.40 11.14 -52.45 2 3 1 34 300.451 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-fluoro-3-(imidazol-1-ylmethyl)benzothiophen-2-yl]methanamine [4-fluoro-3-(imidazol-1-ylmethyl…

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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) 2.02 7.35 -103.86 4 3 2 47 263.341 3 ↓
Hi High (pH 8-9.5) 2.02 6.8 -8.58 2 3 0 44 261.325 3 ↓
Mid Mid (pH 6-8) 2.02 6.84 -59.69 3 3 1 45 262.333 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-(imidazol-1-ylmethyl)benzothiophen-2-yl]methanamine [3-(imidazol-1-ylmethyl)benzothi…

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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) 1.91 7.49 -108.16 4 3 2 47 245.351 3 ↓
Hi High (pH 8-9.5) 1.91 6.96 -8.9 2 3 0 44 243.335 3 ↓
Mid Mid (pH 6-8) 1.91 6.97 -59.65 3 3 1 45 244.343 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-fluoro-3-(imidazol-1-ylmethyl)benzothiophen-2-yl]-N-methyl-methanamine 1-[4-fluoro-3-(imidazol-1-ylmeth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.40 9.15 -97.59 3 3 2 36 277.368 4 ↓
Hi High (pH 8-9.5) 2.40 7.2 -7.96 1 3 0 30 275.352 4 ↓
Mid Mid (pH 6-8) 2.40 8.64 -53.6 2 3 1 34 276.36 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-fluoro-3-(imidazol-1-ylmethyl)benzothiophen-2-yl]methyl]ethanamine N-[[4-fluoro-3-(imidazol-1-ylmet…

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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) 2.77 10.02 -97.67 3 3 2 36 291.395 5 ↓
Hi High (pH 8-9.5) 2.77 8.13 -7.7 1 3 0 30 289.379 5 ↓
Mid Mid (pH 6-8) 2.77 9.51 -52.55 2 3 1 34 290.387 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-fluoro-3-(imidazol-1-ylmethyl)benzothiophen-2-yl]methyl]propan-1-amine N-[[4-fluoro-3-(imidazol-1-ylmet…

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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) 3.28 10.77 -99.3 3 3 2 36 305.422 6 ↓
Hi High (pH 8-9.5) 3.28 8.89 -7.58 1 3 0 30 303.406 6 ↓
Mid Mid (pH 6-8) 3.28 10.26 -53.5 2 3 1 34 304.414 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-fluoro-3-(imidazol-1-ylmethyl)benzothiophen-2-yl]methyl]propan-2-amine N-[[4-fluoro-3-(imidazol-1-ylmet…

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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 10.54 -94.84 3 3 2 36 305.422 5 ↓
Hi High (pH 8-9.5) 3.07 8.82 -7.56 1 3 0 30 303.406 5 ↓
Mid Mid (pH 6-8) 3.07 10.04 -50.4 2 3 1 34 304.414 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[3-[(2-methylimidazol-1-yl)methyl]benzothiophen-2-yl]methanamine N-methyl-1-[3-[(2-methylimidazol…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.37 8.98 -96.79 3 3 2 36 273.405 4 ↓
Hi High (pH 8-9.5) 2.37 7.06 -7.43 1 3 0 30 271.389 4 ↓
Mid Mid (pH 6-8) 2.37 8.51 -48.43 2 3 1 34 272.397 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-[(2-methylimidazol-1-yl)methyl]benzothiophen-2-yl]methyl]ethanamine N-[[3-[(2-methylimidazol-1-yl)me…

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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 9.83 -96.56 3 3 2 36 287.432 5 ↓
Hi High (pH 8-9.5) 2.75 7.97 -6.39 1 3 0 30 285.416 5 ↓
Mid Mid (pH 6-8) 2.75 9.35 -46.44 2 3 1 34 286.424 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-[(2-methylimidazol-1-yl)methyl]benzothiophen-2-yl]methyl]propan-1-amine N-[[3-[(2-methylimidazol-1-yl)me…

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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) 3.25 10.58 -98.15 3 3 2 36 301.459 6 ↓
Hi High (pH 8-9.5) 3.25 8.73 -6.28 1 3 0 30 299.443 6 ↓
Mid Mid (pH 6-8) 3.25 10.1 -47.33 2 3 1 34 300.451 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-[(2-methylimidazol-1-yl)methyl]benzothiophen-2-yl]methyl]propan-2-amine N-[[3-[(2-methylimidazol-1-yl)me…

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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) 3.04 10.37 -94.32 3 3 2 36 301.459 5 ↓
Hi High (pH 8-9.5) 3.04 8.67 -7.19 1 3 0 30 299.443 5 ↓
Mid Mid (pH 6-8) 3.04 9.89 -45.33 2 3 1 34 300.451 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-fluoro-3-[(2-methylimidazol-1-yl)methyl]benzothiophen-2-yl]methanamine [4-fluoro-3-[(2-methylimidazol-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) 2.11 6.7 -102.14 4 3 2 47 277.368 3 ↓
Hi High (pH 8-9.5) 2.11 5.85 -9.29 2 3 0 44 275.352 3 ↓
Mid Mid (pH 6-8) 2.11 6.23 -58.12 3 3 1 45 276.36 3 ↓

Analogs

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Popular Name: [3-[(2-methylimidazol-1-yl)methyl]benzothiophen-2-yl]methanamine [3-[(2-methylimidazol-1-yl)methy…

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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) 2.00 7.11 -102.99 4 3 2 47 259.378 3 ↓
Hi High (pH 8-9.5) 2.00 6.23 -7.95 2 3 0 44 257.362 3 ↓
Mid Mid (pH 6-8) 2.00 6.63 -54.66 3 3 1 45 258.37 3 ↓

Analogs

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Popular Name: 1-[4-fluoro-3-[(2-methylimidazol-1-yl)methyl]benzothiophen-2-yl]-N-methyl-methanamine 1-[4-fluoro-3-[(2-methylimidazol…

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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) 2.48 8.59 -95.77 3 3 2 36 291.395 4 ↓
Hi High (pH 8-9.5) 2.48 6.65 -8.66 1 3 0 30 289.379 4 ↓
Mid Mid (pH 6-8) 2.48 8.11 -51.64 2 3 1 34 290.387 4 ↓

Analogs

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Popular Name: N-[[4-fluoro-3-[(2-methylimidazol-1-yl)methyl]benzothiophen-2-yl]methyl]ethanamine N-[[4-fluoro-3-[(2-methylimidazo…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.86 9.46 -96.21 3 3 2 36 305.422 5 ↓
Hi High (pH 8-9.5) 2.86 8.1 -8.45 1 3 0 30 303.406 5 ↓
Mid Mid (pH 6-8) 2.86 8.98 -50.16 2 3 1 34 304.414 5 ↓

Analogs

29394378
29394378

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Popular Name: 3-[(2-ethylimidazol-1-yl)methyl]benzothiophene-2-carboxylic 3-[(2-ethylimidazol-1-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) 2.96 10.14 -42 1 4 0 59 286.356 4 ↓
Mid Mid (pH 6-8) 2.96 9.68 -50.78 0 4 -1 58 285.348 4 ↓

Analogs

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Popular Name: 3-[(2-ethylimidazol-1-yl)methyl]-4-fluoro-benzothiophene-2-carboxylic 3-[(2-ethylimidazol-1-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) 3.07 10.14 -39.42 1 4 0 59 304.346 4 ↓
Mid Mid (pH 6-8) 3.07 9.67 -50.62 0 4 -1 58 303.338 4 ↓

Analogs

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Popular Name: 4-fluoro-3-[(2-methylimidazol-1-yl)methyl]benzothiophene-2-carboxylic 4-fluoro-3-[(2-methylimidazol-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) 2.50 9.54 -41.4 1 4 0 59 290.319 3 ↓
Mid Mid (pH 6-8) 2.50 9.07 -50.5 0 4 -1 58 289.311 3 ↓

Analogs

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Popular Name: 4-fluoro-3-(imidazol-1-ylmethyl)benzothiophene-2-carboxylic 4-fluoro-3-(imidazol-1-ylmethyl)…

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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) 2.41 9.7 -35.5 1 4 0 59 276.292 3 ↓
Mid Mid (pH 6-8) 2.41 9.19 -48.68 0 4 -1 58 275.284 3 ↓

Analogs

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Popular Name: 3-[(2-methylimidazol-1-yl)methyl]benzothiophene-2-carboxylic 3-[(2-methylimidazol-1-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) 2.38 9.55 -43.44 1 4 0 59 272.329 3 ↓
Mid Mid (pH 6-8) 2.38 9.08 -50.61 0 4 -1 58 271.321 3 ↓

Analogs

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Popular Name: 3-[(2-isopropylimidazol-1-yl)methyl]benzothiophene-2-carboxylic 3-[(2-isopropylimidazol-1-yl)met…

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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 10.72 -41.46 1 4 0 59 300.383 4 ↓
Mid Mid (pH 6-8) 3.44 10.11 -51.1 0 4 -1 58 299.375 4 ↓

Parameters Provided:

ring.id = 260450
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 = 260450 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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