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Analogs

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Popular Name: 3,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]pyrazole-4-carbaldehyde 3,5-dimethyl-1-[(1-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) 0.31 5.36 -11.43 0 5 0 53 218.26 3 ↓
Mid Mid (pH 6-8) 0.31 5.53 -41.93 1 5 1 54 219.268 3 ↓

Analogs

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Popular Name: 1-[(5-chloro-1-methyl-imidazol-2-yl)methyl]-3,5-dimethyl-pyrazole-4-carbaldehyde 1-[(5-chloro-1-methyl-imidazol-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) 1.11 5.73 -10.59 0 5 0 53 252.705 3 ↓

Analogs

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Popular Name: 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethyl-pyrazole-4-carbaldehyde 1-[[1-(difluoromethyl)imidazol-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) 0.86 5.53 -13.48 0 5 0 53 254.24 4 ↓

Analogs

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Popular Name: [3,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]pyrazol-4-yl]methanol [3,5-dimethyl-1-[(1-methylimidaz…

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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) -0.15 2.81 -11.15 1 5 0 56 220.276 3 ↓
Mid Mid (pH 6-8) -0.15 2.98 -34.75 2 5 1 57 221.284 3 ↓

Analogs

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Popular Name: [1-[(5-chloro-1-methyl-imidazol-2-yl)methyl]-3,5-dimethyl-pyrazol-4-yl]methanol [1-[(5-chloro-1-methyl-imidazol-…

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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) 0.65 3.17 -9.71 1 5 0 56 254.721 3 ↓

Analogs

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Popular Name: [1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethyl-pyrazol-4-yl]methanol [1-[[1-(difluoromethyl)imidazol-…

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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) 0.41 2.98 -12.69 1 5 0 56 256.256 4 ↓

Analogs

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Popular Name: [3,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]pyrazol-4-yl]methanamine [3,5-dimethyl-1-[(1-methylimidaz…

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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) -0.30 3.53 -45.81 3 5 1 63 220.3 3 ↓
Hi High (pH 8-9.5) -0.30 3.12 -8.44 2 5 0 62 219.292 3 ↓
Mid Mid (pH 6-8) -0.30 3.7 -92.01 4 5 2 65 221.308 3 ↓

Analogs

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Popular Name: [1-[(5-chloro-1-methyl-imidazol-2-yl)methyl]-3,5-dimethyl-pyrazol-4-yl]methanamine [1-[(5-chloro-1-methyl-imidazol-…

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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) 0.50 3.89 -45.49 3 5 1 63 254.745 3 ↓
Hi High (pH 8-9.5) 0.50 3.49 -7.08 2 5 0 62 253.737 3 ↓

Analogs

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Popular Name: [1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethyl-pyrazol-4-yl]methanamine [1-[[1-(difluoromethyl)imidazol-…

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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) 0.26 3.7 -46.73 3 5 1 63 256.28 4 ↓
Hi High (pH 8-9.5) 0.26 3.3 -10.05 2 5 0 62 255.272 4 ↓

Analogs

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Popular Name: 1-[3,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]pyrazol-4-yl]-N-methyl-methanamine 1-[3,5-dimethyl-1-[(1-methylimid…

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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) 0.07 5.4 -40.64 2 5 1 52 234.327 4 ↓
Hi High (pH 8-9.5) 0.07 3.95 -8.21 1 5 0 48 233.319 4 ↓
Mid Mid (pH 6-8) 0.07 5.57 -87.14 3 5 2 54 235.335 4 ↓

Analogs

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Popular Name: 1-[1-[(5-chloro-1-methyl-imidazol-2-yl)methyl]-3,5-dimethyl-pyrazol-4-yl]-N-methyl-methanamine 1-[1-[(5-chloro-1-methyl-imidazo…

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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) 0.88 5.76 -40.34 2 5 1 52 268.772 4 ↓
Hi High (pH 8-9.5) 0.88 4.31 -6.74 1 5 0 48 267.764 4 ↓

Analogs

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Popular Name: 1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethyl-pyrazol-4-yl]-N-methyl-methanamine 1-[1-[[1-(difluoromethyl)imidazo…

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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) 0.63 5.57 -41.59 2 5 1 52 270.307 5 ↓
Hi High (pH 8-9.5) 0.63 4.12 -9.58 1 5 0 48 269.299 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]pyrazol-4-yl]methyl]ethanamine N-[[3,5-dimethyl-1-[(1-methylimi…

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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) 0.45 6.27 -41.62 2 5 1 52 248.354 5 ↓
Hi High (pH 8-9.5) 0.45 4.89 -7.79 1 5 0 48 247.346 5 ↓
Mid Mid (pH 6-8) 0.45 6.81 -86.46 3 5 2 54 249.362 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[(5-chloro-1-methyl-imidazol-2-yl)methyl]-3,5-dimethyl-pyrazol-4-yl]methyl]ethanamine N-[[1-[(5-chloro-1-methyl-imidaz…

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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 6.62 -41.97 2 5 1 52 282.799 5 ↓
Hi High (pH 8-9.5) 1.25 5.24 -6.46 1 5 0 48 281.791 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethyl-pyrazol-4-yl]methyl]ethanamine N-[[1-[[1-(difluoromethyl)imidaz…

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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) 1.01 6.37 -42.76 2 5 1 52 284.334 6 ↓
Hi High (pH 8-9.5) 1.01 4.99 -8.99 1 5 0 48 283.326 6 ↓

Analogs

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Popular Name: N-[[3,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine N-[[3,5-dimethyl-1-[(1-methylimi…

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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) 0.95 7.02 -42.41 2 5 1 52 262.381 6 ↓
Hi High (pH 8-9.5) 0.95 5.65 -7.68 1 5 0 48 261.373 6 ↓
Mid Mid (pH 6-8) 0.95 7.56 -87.84 3 5 2 54 263.389 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[(5-chloro-1-methyl-imidazol-2-yl)methyl]-3,5-dimethyl-pyrazol-4-yl]methyl]propan-1-amine N-[[1-[(5-chloro-1-methyl-imidaz…

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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 7.37 -42.81 2 5 1 52 296.826 6 ↓
Hi High (pH 8-9.5) 1.75 6.01 -6.38 1 5 0 48 295.818 6 ↓

Analogs

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Popular Name: N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethyl-pyrazol-4-yl]methyl]propan-1-amine N-[[1-[[1-(difluoromethyl)imidaz…

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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) 1.51 7.12 -43.45 2 5 1 52 298.361 7 ↓
Hi High (pH 8-9.5) 1.51 5.75 -8.9 1 5 0 48 297.353 7 ↓

Analogs

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Popular Name: N-[[3,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]pyrazol-4-yl]methyl]propan-2-amine N-[[3,5-dimethyl-1-[(1-methylimi…

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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) 0.75 6.78 -38.18 2 5 1 52 262.381 5 ↓
Hi High (pH 8-9.5) 0.75 5.56 -7.81 1 5 0 48 261.373 5 ↓
Mid Mid (pH 6-8) 0.75 6.96 -86.04 3 5 2 54 263.389 5 ↓

Analogs

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Popular Name: N-[[1-[(5-chloro-1-methyl-imidazol-2-yl)methyl]-3,5-dimethyl-pyrazol-4-yl]methyl]propan-2-amine N-[[1-[(5-chloro-1-methyl-imidaz…

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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) 1.55 7.15 -38.01 2 5 1 52 296.826 5 ↓
Hi High (pH 8-9.5) 1.55 5.93 -6.42 1 5 0 48 295.818 5 ↓

Analogs

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Popular Name: N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethyl-pyrazol-4-yl]methyl]propan-2-amine N-[[1-[[1-(difluoromethyl)imidaz…

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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) 1.30 6.96 -39.23 2 5 1 52 298.361 6 ↓
Hi High (pH 8-9.5) 1.30 5.74 -9.17 1 5 0 48 297.353 6 ↓

Analogs

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Popular Name: 1-[(1-ethylimidazol-2-yl)methyl]pyrazole-4-carboxylic 1-[(1-ethylimidazol-2-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) 0.02 6.03 -52.21 0 6 -1 76 219.224 4 ↓
Mid Mid (pH 6-8) 0.02 6.36 -60.56 1 6 0 77 220.232 4 ↓

Analogs

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Popular Name: 1-[(1-ethylimidazol-2-yl)methyl]-3,5-dimethyl-pyrazole-4-carboxylic 1-[(1-ethylimidazol-2-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) 0.46 7.09 -53.29 0 6 -1 76 247.278 4 ↓
Mid Mid (pH 6-8) 0.46 7.58 -61.33 1 6 0 77 248.286 4 ↓

Analogs

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Popular Name: 2-[1-[(1-ethylimidazol-2-yl)methyl]-3,5-dimethyl-pyrazol-4-yl]acetic 2-[1-[(1-ethylimidazol-2-yl)meth…

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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) 0.32 7.84 -54.39 0 6 -1 76 261.305 5 ↓
Mid Mid (pH 6-8) 0.32 8.34 -56.32 1 6 0 77 262.313 5 ↓

Analogs

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Popular Name: 1-[(1-ethylimidazol-2-yl)methyl]-3,5-dimethyl-pyrazole-4-carbaldehyde 1-[(1-ethylimidazol-2-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) 0.68 6.38 -10.92 0 5 0 53 232.287 4 ↓
Mid Mid (pH 6-8) 0.68 6.87 -41.61 1 5 1 54 233.295 4 ↓

Analogs

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Popular Name: [1-[(1-ethylimidazol-2-yl)methyl]-3,5-dimethyl-pyrazol-4-yl]methanol [1-[(1-ethylimidazol-2-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) 0.23 3.82 -10.74 1 5 0 56 234.303 4 ↓
Mid Mid (pH 6-8) 0.23 4.32 -34.09 2 5 1 57 235.311 4 ↓

Analogs

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Popular Name: [1-[(1-ethylimidazol-2-yl)methyl]-3,5-dimethyl-pyrazol-4-yl]methanamine [1-[(1-ethylimidazol-2-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) 0.08 4.53 -44.64 3 5 1 63 234.327 4 ↓
Hi High (pH 8-9.5) 0.08 4.12 -8.29 2 5 0 62 233.319 4 ↓
Mid Mid (pH 6-8) 0.08 5.03 -91.41 4 5 2 65 235.335 4 ↓

Analogs

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Popular Name: 1-[1-[(1-ethylimidazol-2-yl)methyl]-3,5-dimethyl-pyrazol-4-yl]-N-methyl-methanamine 1-[1-[(1-ethylimidazol-2-yl)meth…

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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) 0.45 6.41 -39.57 2 5 1 52 248.354 5 ↓
Hi High (pH 8-9.5) 0.45 4.95 -7.41 1 5 0 48 247.346 5 ↓
Mid Mid (pH 6-8) 0.45 6.91 -86.6 3 5 2 54 249.362 5 ↓

Analogs

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Popular Name: N-[[1-[(1-ethylimidazol-2-yl)methyl]-3,5-dimethyl-pyrazol-4-yl]methyl]ethanamine N-[[1-[(1-ethylimidazol-2-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) 0.82 7.13 -41.77 2 5 1 52 262.381 6 ↓
Hi High (pH 8-9.5) 0.82 5.76 -7.6 1 5 0 48 261.373 6 ↓
Mid Mid (pH 6-8) 0.82 7.88 -85.91 3 5 2 54 263.389 6 ↓

Analogs

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Popular Name: N-[[1-[(1-ethylimidazol-2-yl)methyl]-3,5-dimethyl-pyrazol-4-yl]methyl]propan-1-amine N-[[1-[(1-ethylimidazol-2-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) 1.33 7.89 -42.58 2 5 1 52 276.408 7 ↓
Hi High (pH 8-9.5) 1.33 6.51 -7.49 1 5 0 48 275.4 7 ↓
Mid Mid (pH 6-8) 1.33 8.63 -87.32 3 5 2 54 277.416 7 ↓

Analogs

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Popular Name: N-[[1-[(1-ethylimidazol-2-yl)methyl]-3,5-dimethyl-pyrazol-4-yl]methyl]propan-2-amine N-[[1-[(1-ethylimidazol-2-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) 1.12 7.79 -37.07 2 5 1 52 276.408 6 ↓
Hi High (pH 8-9.5) 1.12 6.59 -7.07 1 5 0 48 275.4 6 ↓
Mid Mid (pH 6-8) 1.12 8.29 -85.4 3 5 2 54 277.416 6 ↓

Analogs

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Popular Name: 2-[(4-bromopyrazol-1-yl)methyl]-1-ethyl-imidazole 2-[(4-bromopyrazol-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) 1.26 6.02 -8.19 0 4 0 36 255.119 3 ↓
Mid Mid (pH 6-8) 1.26 6.36 -33.02 1 4 1 37 256.127 3 ↓

Analogs

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Popular Name: 4-bromo-1-[(1-ethylimidazol-2-yl)methyl]-3,5-dimethyl-pyrazole 4-bromo-1-[(1-ethylimidazol-2-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) 1.70 7.21 -7.25 0 4 0 36 283.173 3 ↓
Mid Mid (pH 6-8) 1.70 7.7 -34.18 1 4 1 37 284.181 3 ↓

Analogs

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Popular Name: 4-bromo-1-[(1-ethylimidazol-2-yl)methyl]-3-nitro-pyrazole 4-bromo-1-[(1-ethylimidazol-2-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) 1.34 7.66 -12.64 0 7 0 81 300.116 4 ↓
Mid Mid (pH 6-8) 1.34 8 -44.31 1 7 1 83 301.124 4 ↓

Analogs

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Popular Name: 4-chloro-1-[(1-methylimidazol-2-yl)methyl]-3-nitro-pyrazole 4-chloro-1-[(1-methylimidazol-2-…

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Activity (Go SEA)

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) 0.83 6.7 -13.69 0 7 0 81 241.638 3 ↓
Mid Mid (pH 6-8) 0.83 7.12 -45.62 1 7 1 83 242.646 3 ↓

Parameters Provided:

ring.id = 116644
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 = 116644 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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