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

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]piperazin-1-yl]ethanol 2-[4-[[1-(difluoromethyl)benzimi…

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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) 1.22 1.07 -9.67 1 5 0 45 310.348 5 ↓
Mid Mid (pH 6-8) 1.22 3.37 -40.65 2 5 1 46 311.356 5 ↓
Lo Low (pH 4.5-6) 1.22 3.76 -83.26 3 5 2 47 312.364 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]piperazin-1-yl]ethanone 1-[4-[[1-(difluoromethyl)benzimi…

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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) 1.22 5.26 -14.89 0 5 0 41 308.332 3 ↓
Lo Low (pH 4.5-6) 1.22 7.33 -48.75 1 5 1 43 309.34 3 ↓
Lo Low (pH 4.5-6) 1.22 5.65 -35.56 1 5 1 43 309.34 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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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) 1.68 6.5 -15.56 0 9 0 96 347.375 5 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.56 6.85 -15.81 1 8 0 80 401.511 7 ↓
Mid Mid (pH 6-8) 2.56 7.5 -39.94 2 8 1 81 402.519 7 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 1.32 5.54 -16.45 1 8 0 80 373.457 6 ↓
Mid Mid (pH 6-8) 1.32 6.33 -40.68 2 8 1 81 374.465 6 ↓

Analogs

20707377
20707377

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Popular Name: ethyl ethyl

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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 7.03 -15.59 1 8 0 80 401.511 7 ↓
Mid Mid (pH 6-8) 2.40 7.8 -40.2 2 8 1 81 402.519 7 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.93 7.72 -15.36 1 8 0 80 415.538 8 ↓
Mid Mid (pH 6-8) 2.93 8.52 -39.43 2 8 1 81 416.546 8 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.56 8.13 -14.14 0 9 0 96 375.429 7 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 1.82 6.31 -15.96 1 8 0 80 387.484 7 ↓
Mid Mid (pH 6-8) 1.82 7.09 -40.7 2 8 1 81 388.492 7 ↓

Analogs

20725039
20725039

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Popular Name: ethyl ethyl

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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) 2.90 7.78 -15.2 1 8 0 80 415.538 8 ↓
Mid Mid (pH 6-8) 2.90 8.56 -40.28 2 8 1 81 416.546 8 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.42 7.99 -15.7 0 9 0 96 375.429 6 ↓

Analogs

20893406
20893406

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Popular Name: ethyl ethyl

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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) 2.52 7.02 -16.92 1 8 0 80 401.511 7 ↓
Mid Mid (pH 6-8) 2.52 7.37 -39.64 2 8 1 81 402.519 7 ↓

Analogs

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Popular Name: ethyl ethyl

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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 7.78 -16.64 1 8 0 80 415.538 8 ↓
Mid Mid (pH 6-8) 3.08 8.14 -39.47 2 8 1 81 416.546 8 ↓

Analogs

20893400
20893400

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Popular Name: ethyl ethyl

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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 7.64 -16.23 1 8 0 80 415.538 7 ↓
Mid Mid (pH 6-8) 2.76 8.04 -38.99 2 8 1 81 416.546 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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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) 3.29 8.34 -16.02 1 8 0 80 429.565 8 ↓
Mid Mid (pH 6-8) 3.29 8.72 -38.97 2 8 1 81 430.573 8 ↓

Analogs

34539891
34539891

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Popular Name: 2-[(4-methyl-1-piperazinyl)methyl]-1H-benzimidazole 2-[(4-methyl-1-piperazinyl)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) 1.23 4.65 -44.43 2 4 1 36 231.323 2 ↓

Analogs

34925695
34925695
20051282
20051282

Draw Identity 99% 90% 80% 70%

Popular Name: 1-Methyl-2-(1-piperazinylmethyl)-1H-benzimidazole 1-Methyl-2-(1-piperazinylmethyl)…

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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 3.75 -44.69 2 4 1 38 231.323 2 ↓
Hi High (pH 8-9.5) 0.70 2.34 -9.12 1 4 0 33 230.315 2 ↓
Mid Mid (pH 6-8) 0.70 4.14 -88.8 3 4 2 39 232.331 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S)-1-[4-(2,2-difluoroethyl)piperazin-1-yl]ethyl]-1-(difluoromethyl)benzimidazole 2-[(1S)-1-[4-(2,2-difluoroethyl)…

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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 5.1 -11.94 0 4 0 24 344.356 5 ↓
Lo Low (pH 4.5-6) 2.98 6.06 -27.51 1 4 1 26 345.364 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R)-1-[4-(2,2-difluoroethyl)piperazin-1-yl]ethyl]-1-(difluoromethyl)benzimidazole 2-[(1R)-1-[4-(2,2-difluoroethyl)…

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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 5.13 -9.97 0 4 0 24 344.356 5 ↓
Lo Low (pH 4.5-6) 2.98 5.92 -27.14 1 4 1 26 345.364 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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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) 2.17 6.84 -12.4 0 6 0 51 316.405 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(2S,6R)-2,6-dimethylpiperazin-1-yl]methyl]-1H-benzimidazole 2-[[(2S,6R)-2,6-dimethylpiperazi…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.29 3.14 -39.92 3 4 1 49 245.35 2 ↓
Hi High (pH 8-9.5) 1.29 1.78 -7.67 2 4 0 44 244.342 2 ↓
Mid Mid (pH 6-8) 1.29 3.95 -86.26 4 4 2 50 246.358 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(2S,6S)-2,6-dimethylpiperazin-1-yl]methyl]-1H-benzimidazole 2-[[(2S,6S)-2,6-dimethylpiperazi…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.29 3.5 -42.17 3 4 1 49 245.35 2 ↓
Hi High (pH 8-9.5) 1.29 2.33 -6.94 2 4 0 44 244.342 2 ↓
Mid Mid (pH 6-8) 1.29 4.47 -86.56 4 4 2 50 246.358 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(2R,6R)-2,6-dimethylpiperazin-1-yl]methyl]-1H-benzimidazole 2-[[(2R,6R)-2,6-dimethylpiperazi…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.29 3.34 -44.95 3 4 1 49 245.35 2 ↓
Hi High (pH 8-9.5) 1.29 2.18 -7.6 2 4 0 44 244.342 2 ↓
Mid Mid (pH 6-8) 1.29 4.37 -85.98 4 4 2 50 246.358 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-[(1-ethyl-5-fluoro-benzimidazol-2-yl)methyl]piperazin-1-yl]-2-methyl-propan-1-one 1-[4-[(1-ethyl-5-fluoro-benzimid…

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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) 2.26 7.24 -14.25 0 5 0 41 332.423 4 ↓
Mid Mid (pH 6-8) 2.26 8.02 -38.19 1 5 1 43 333.431 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-2-[4-[(1-ethyl-5-fluoro-benzimidazol-2-yl)methyl]piperazin-1-yl]acetamide N-ethyl-2-[4-[(1-ethyl-5-fluoro-…

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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) 1.80 3.97 -13.53 1 6 0 53 347.438 6 ↓
Mid Mid (pH 6-8) 1.80 4.73 -33.25 2 6 1 55 348.446 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-2-[4-[(1-ethyl-4-fluoro-benzimidazol-2-yl)methyl]piperazin-1-yl]acetamide N-ethyl-2-[4-[(1-ethyl-4-fluoro-…

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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) 1.77 3.96 -16.24 1 6 0 53 347.438 6 ↓
Lo Low (pH 4.5-6) 1.77 4.71 -31.62 2 6 1 55 348.446 6 ↓
Lo Low (pH 4.5-6) 1.77 6.22 -45.34 2 6 1 55 348.446 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-[(1R)-1-methylpropyl]piperazin-1-yl]methyl]-3H-benzimidazol-5-amine 2-[[4-[(1R)-1-methylpropyl]piper…

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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) 1.49 4.19 -38.17 4 5 1 62 288.419 4 ↓
Hi High (pH 8-9.5) 1.49 2.27 -7.78 3 5 0 61 287.411 4 ↓
Mid Mid (pH 6-8) 1.49 5.23 -82.3 5 5 2 64 289.427 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-[(1S)-1-methylpropyl]piperazin-1-yl]methyl]-3H-benzimidazol-5-amine 2-[[4-[(1S)-1-methylpropyl]piper…

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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) 1.49 4.38 -35.66 4 5 1 62 288.419 4 ↓
Hi High (pH 8-9.5) 1.49 2.48 -7.47 3 5 0 61 287.411 4 ↓
Mid Mid (pH 6-8) 1.49 5.1 -82.36 5 5 2 64 289.427 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-isobutylpiperazin-1-yl)methyl]-3H-benzimidazol-5-amine 2-[(4-isobutylpiperazin-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) 1.40 4.71 -37.02 4 5 1 62 288.419 4 ↓
Hi High (pH 8-9.5) 1.40 2.75 -7.47 3 5 0 61 287.411 4 ↓
Mid Mid (pH 6-8) 1.40 5.44 -84.34 5 5 2 64 289.427 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(3R)-4-(2-methoxyethyl)-3-methyl-piperazin-1-yl]methyl]-1-methyl-benzimidazole 2-[[(3R)-4-(2-methoxyethyl)-3-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) 1.61 4.45 -10.24 0 5 0 34 302.422 5 ↓
Mid Mid (pH 6-8) 1.61 7.24 -79.64 2 5 2 36 304.438 5 ↓
Mid Mid (pH 6-8) 1.61 5.07 -26.56 1 5 1 35 303.43 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(3S)-4-(2-methoxyethyl)-3-methyl-piperazin-1-yl]methyl]-1-methyl-benzimidazole 2-[[(3S)-4-(2-methoxyethyl)-3-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) 1.61 4.34 -9.66 0 5 0 34 302.422 5 ↓
Mid Mid (pH 6-8) 1.61 6.74 -81.03 2 5 2 36 304.438 5 ↓
Mid Mid (pH 6-8) 1.61 6.57 -36.09 1 5 1 35 303.43 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-1-methyl-benzimidazole 5-chloro-2-[[4-(2-methoxyethyl)p…

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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) 1.94 3.98 -9.21 0 5 0 34 322.84 5 ↓
Mid Mid (pH 6-8) 1.94 6.32 -41.89 1 5 1 35 323.848 5 ↓
Lo Low (pH 4.5-6) 1.94 6.95 -85.8 2 5 2 36 324.856 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-[(6,7-dimethyl-1H-benzimidazol-2-yl)methyl]piperazin-1-yl]ethanone 1-[4-[(6,7-dimethyl-1H-benzimida…

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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) 1.39 4.76 -14.19 1 5 0 52 286.379 2 ↓
Mid Mid (pH 6-8) 1.39 5.82 -35.88 2 5 1 53 287.387 2 ↓

Parameters Provided:

ring.id = 14390
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 = 14390 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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