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Analogs

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Popular Name: 2-(3-fluoro-4-methyl-phenyl)-1H-imidazole-4-carboxylic 2-(3-fluoro-4-methyl-phenyl)-1H-…

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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 6.26 -53.89 1 4 -1 69 219.195 2 ↓
Lo Low (pH 4.5-6) 2.39 6.67 -37.25 2 4 0 70 220.203 2 ↓

Analogs

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Popular Name: 2-[3-(trifluoromethyl)phenyl]-1H-imidazole-4-carboxylic 2-[3-(trifluoromethyl)phenyl]-1H…

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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) 2.73 6.54 -59.58 1 4 -1 69 255.175 3 ↓
Mid Mid (pH 6-8) 2.73 6.97 -35.13 2 4 0 70 256.183 3 ↓

Analogs

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Popular Name: 2-(o-tolyl)-1H-imidazole-4-carboxylic 2-(o-tolyl)-1H-imidazole-4-carbo…

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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) 2.25 6.67 -56.75 1 4 -1 69 201.205 2 ↓
Lo Low (pH 4.5-6) 2.25 6.6 -32.71 2 4 0 70 202.213 2 ↓

Analogs

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Popular Name: 2-(4-fluoro-3-methyl-phenyl)-1H-imidazole-4-carboxylic 2-(4-fluoro-3-methyl-phenyl)-1H-…

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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 6.22 -55.1 1 4 -1 69 219.195 2 ↓
Lo Low (pH 4.5-6) 2.39 6.64 -35.68 2 4 0 70 220.203 2 ↓

Analogs

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Popular Name: 2-p-Tolyl-3H-imidazole-4-carboxylic acid 2-p-Tolyl-3H-imidazole-4-carboxy…

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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) 2.30 6.23 -57.7 1 4 -1 69 201.205 2 ↓
Mid Mid (pH 6-8) 2.30 6.64 -34.05 2 4 0 70 202.213 2 ↓

Analogs

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Popular Name: 2-(3-bromophenyl)-1H-imidazole-4-carboxylic 2-(3-bromophenyl)-1H-imidazole-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) 2.64 6.17 -53.85 1 4 -1 69 266.074 2 ↓
Lo Low (pH 4.5-6) 2.64 6.58 -36.75 2 4 0 70 267.082 2 ↓

Analogs

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Popular Name: 2-(m-tolyl)-1H-imidazole-4-carboxylic 2-(m-tolyl)-1H-imidazole-4-carbo…

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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 6.23 -58.19 1 4 -1 69 201.205 2 ↓
Mid Mid (pH 6-8) 2.28 6.63 -33.65 2 4 0 70 202.213 2 ↓

Analogs

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Popular Name: 2-(3-chlorophenyl)-1H-imidazole-4-carboxylic 2-(3-chlorophenyl)-1H-imidazole-…

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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) 2.51 6.06 -53.98 1 4 -1 69 221.623 2 ↓
Lo Low (pH 4.5-6) 2.51 6.47 -36.68 2 4 0 70 222.631 2 ↓

Analogs

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Popular Name: 2-(4-bromophenyl)-1H-imidazole-4-carboxylic 2-(4-bromophenyl)-1H-imidazole-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) 2.66 6.18 -54.64 1 4 -1 69 266.074 2 ↓
Lo Low (pH 4.5-6) 2.66 6.59 -35.62 2 4 0 70 267.082 2 ↓

Analogs

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Popular Name: 2-(3-ethoxyphenyl)-1H-imidazole-4-carboxylic 2-(3-ethoxyphenyl)-1H-imidazole-…

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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 5.79 -61.56 1 5 -1 78 231.231 4 ↓
Lo Low (pH 4.5-6) 2.26 6.19 -33.28 2 5 0 79 232.239 4 ↓

Analogs

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Popular Name: 2-(3-nitrophenyl)-1H-imidazole-4-carboxylic acid 2-(3-nitrophenyl)-1H-imidazole-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) 1.79 6.26 -64.89 1 7 -1 115 232.175 3 ↓

Analogs

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Popular Name: 2-(4-nitrophenyl)-1H-imidazole-4-carboxylic 2-(4-nitrophenyl)-1H-imidazole-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) 1.81 6.27 -54.48 1 7 -1 115 232.175 3 ↓

Analogs

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Popular Name: 2-(4-ethylphenyl)-1H-imidazole-4-carboxylic 2-(4-ethylphenyl)-1H-imidazole-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) 2.77 6.99 -57.36 1 4 -1 69 215.232 3 ↓
Mid Mid (pH 6-8) 2.77 7.41 -33.92 2 4 0 70 216.24 3 ↓

Analogs

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Popular Name: 2-(4-isopropylphenyl)-1H-imidazole-4-carboxylic 2-(4-isopropylphenyl)-1H-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) 3.37 7.47 -57.19 1 4 -1 69 229.259 3 ↓
Mid Mid (pH 6-8) 3.37 7.88 -33.85 2 4 0 70 230.267 3 ↓

Analogs

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Popular Name: 2-(3,4-dimethoxyphenyl)-1H-imidazole-4-carboxylic 2-(3,4-dimethoxyphenyl)-1H-imida…

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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) 1.50 4.73 -59.19 1 6 -1 87 247.23 4 ↓
Mid Mid (pH 6-8) 1.50 5.15 -36.98 2 6 0 89 248.238 4 ↓

Analogs

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Popular Name: 2-(3,4-difluorophenyl)-1H-imidazole-4-carboxylic 2-(3,4-difluorophenyl)-1H-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) 2.11 5.64 -51.81 1 4 -1 69 223.158 2 ↓
Lo Low (pH 4.5-6) 2.11 6.06 -39.86 2 4 0 70 224.166 2 ↓

Analogs

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Popular Name: 2-(2-chlorophenyl)-1H-imidazole-4-carboxylic 2-(2-chlorophenyl)-1H-imidazole-…

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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 6.42 -60 1 4 -1 69 221.623 2 ↓
Lo Low (pH 4.5-6) 2.48 6.42 -30.74 2 4 0 70 222.631 2 ↓

Analogs

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Popular Name: 2-(2-methyl-5-nitro-phenyl)-1H-imidazole-4-carboxylic 2-(2-methyl-5-nitro-phenyl)-1H-i…

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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) 2.19 7.38 -52.35 1 7 -1 115 246.202 3 ↓

Analogs

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Popular Name: 2-(3-chloro-4,5-dimethoxy-phenyl)-1H-imidazole-4-carboxylic 2-(3-chloro-4,5-dimethoxy-phenyl…

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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) 2.30 5.37 -53.32 1 6 -1 87 281.675 4 ↓
Mid Mid (pH 6-8) 2.30 5.79 -37.96 2 6 0 89 282.683 4 ↓

Analogs

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Popular Name: 2-(2-bromophenyl)-1H-imidazole-4-carboxylic 2-(2-bromophenyl)-1H-imidazole-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) 2.62 6.61 -59.02 1 4 -1 69 266.074 2 ↓
Lo Low (pH 4.5-6) 2.62 6.55 -30.38 2 4 0 70 267.082 2 ↓

Analogs

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Popular Name: 2-(2-nitrophenyl)-1H-imidazole-4-carboxylic 2-(2-nitrophenyl)-1H-imidazole-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) 1.76 6.87 -72.38 1 7 -1 115 232.175 3 ↓

Analogs

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Popular Name: 2-(3,5-difluorophenyl)-1H-imidazole-4-carboxylic 2-(3,5-difluorophenyl)-1H-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) 2.11 5.71 -53.37 1 4 -1 69 223.158 2 ↓
Lo Low (pH 4.5-6) 2.11 6.11 -35.66 2 4 0 70 224.166 2 ↓

Analogs

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Popular Name: 2-(3,4,5-trifluorophenyl)-1H-imidazole-4-carboxylic 2-(3,4,5-trifluorophenyl)-1H-imi…

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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) 2.20 5.71 -51.95 1 4 -1 69 241.148 2 ↓
Lo Low (pH 4.5-6) 2.20 6.13 -38.79 2 4 0 70 242.156 2 ↓

Analogs

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Popular Name: 2-(2-bromo-4,5-dimethoxy-phenyl)-1H-imidazole-4-carboxylic 2-(2-bromo-4,5-dimethoxy-phenyl)…

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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) 2.24 5.8 -57.19 1 6 -1 87 326.126 4 ↓
Mid Mid (pH 6-8) 2.24 5.74 -35.99 2 6 0 89 327.134 4 ↓

Analogs

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Popular Name: 2-(5-bromo-2-methoxy-phenyl)-1H-imidazole-4-carboxylic 2-(5-bromo-2-methoxy-phenyl)-1H-…

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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) 2.65 5.83 -58.27 1 5 -1 78 296.1 3 ↓
Lo Low (pH 4.5-6) 2.65 5.97 -32.68 2 5 0 79 297.108 3 ↓

Analogs

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Popular Name: 2-(3,5-dimethoxyphenyl)-1H-imidazole-4-carboxylic 2-(3,5-dimethoxyphenyl)-1H-imida…

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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) 1.90 4.17 -59.32 1 6 -1 87 247.23 4 ↓
Lo Low (pH 4.5-6) 1.90 4.58 -34.69 2 6 0 89 248.238 4 ↓

Analogs

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Popular Name: 2-[4-(difluoromethoxy)phenyl]-1H-imidazole-4-carboxylic 2-[4-(difluoromethoxy)phenyl]-1H…

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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) 2.47 5.1 -57.3 1 5 -1 78 253.184 4 ↓
Mid Mid (pH 6-8) 2.47 5.51 -38.04 2 5 0 79 254.192 4 ↓

Analogs

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Popular Name: 2-[2-(trifluoromethyl)phenyl]-1H-imidazole-4-carboxylic 2-[2-(trifluoromethyl)phenyl]-1H…

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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) 2.70 7.28 -64.52 1 4 -1 69 255.175 3 ↓
Lo Low (pH 4.5-6) 2.70 6.76 -31.19 2 4 0 70 256.183 3 ↓

Analogs

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Popular Name: 2-(2,4-dimethylphenyl)-1H-imidazole-4-carboxylic 2-(2,4-dimethylphenyl)-1H-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) 2.68 7.34 -56.56 1 4 -1 69 215.232 2 ↓
Mid Mid (pH 6-8) 2.68 7.22 -32.44 2 4 0 70 216.24 2 ↓

Analogs

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Popular Name: 2-(2,3-dimethoxyphenyl)-1H-imidazole-4-carboxylic 2-(2,3-dimethoxyphenyl)-1H-imida…

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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) 1.67 5.36 -63.16 1 6 -1 87 247.23 4 ↓
Lo Low (pH 4.5-6) 1.67 5.3 -31.58 2 6 0 89 248.238 4 ↓

Analogs

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Popular Name: 2-(2,5-dimethoxyphenyl)-1H-imidazole-4-carboxylic 2-(2,5-dimethoxyphenyl)-1H-imida…

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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) 1.90 4.5 -61.01 1 6 -1 87 247.23 4 ↓
Lo Low (pH 4.5-6) 1.90 4.64 -32.93 2 6 0 89 248.238 4 ↓

Analogs

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Popular Name: 2-(2,4-dichlorophenyl)-1H-imidazole-4-carboxylic 2-(2,4-dichlorophenyl)-1H-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) 3.14 6.9 -56.58 1 4 -1 69 256.068 2 ↓
Lo Low (pH 4.5-6) 3.14 6.9 -36.05 2 4 0 70 257.076 2 ↓

Analogs

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Popular Name: 2-(4-methylsulfanylphenyl)-1H-imidazole-4-carboxylic 2-(4-methylsulfanylphenyl)-1H-im…

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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) 2.29 6.54 -56.18 1 4 -1 69 233.272 3 ↓
Lo Low (pH 4.5-6) 2.29 6.95 -35.83 2 4 0 70 234.28 3 ↓

Analogs

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Popular Name: 2-(2,4,5-trimethoxyphenyl)-1H-imidazole-4-carboxylic 2-(2,4,5-trimethoxyphenyl)-1H-im…

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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 4.44 -61.5 1 7 -1 97 277.256 5 ↓
Mid Mid (pH 6-8) 1.49 4.57 -34.28 2 7 0 98 278.264 5 ↓

Analogs

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Popular Name: 2-(2,4-dimethoxyphenyl)-1H-imidazole-4-carboxylic 2-(2,4-dimethoxyphenyl)-1H-imida…

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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) 1.90 4.52 -62.21 1 6 -1 87 247.23 4 ↓
Mid Mid (pH 6-8) 1.90 4.65 -32.37 2 6 0 89 248.238 4 ↓

Analogs

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Popular Name: 2-[4-(trifluoromethyl)phenyl]-1H-imidazole-5-carboxylic acid 2-[4-(trifluoromethyl)phenyl]-1H…

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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 6.55 -54.48 1 4 -1 69 255.175 3 ↓
Mid Mid (pH 6-8) 2.75 6.97 -37.2 2 4 0 70 256.183 3 ↓

Analogs

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Popular Name: 2-(2,3-dichlorophenyl)-1H-imidazole-4-carboxylic 2-(2,3-dichlorophenyl)-1H-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) 3.11 6.88 -60.43 1 4 -1 69 256.068 2 ↓
Lo Low (pH 4.5-6) 3.11 6.87 -38.38 2 4 0 70 257.076 2 ↓

Analogs

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Popular Name: 2-(3,4-dichlorophenyl)-1H-imidazole-4-carboxylic 2-(3,4-dichlorophenyl)-1H-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) 3.14 6.52 -51.72 1 4 -1 69 256.068 2 ↓
Lo Low (pH 4.5-6) 3.14 6.93 -37.96 2 4 0 70 257.076 2 ↓

Analogs

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Popular Name: 2-[3-(difluoromethoxy)-4-methoxy-phenyl]-1H-imidazole-4-carboxylic 2-[3-(difluoromethoxy)-4-methoxy…

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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) 2.06 5.02 -65.08 1 6 -1 87 283.21 5 ↓
Mid Mid (pH 6-8) 2.06 5.43 -35.18 2 6 0 89 284.218 5 ↓

Analogs

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Popular Name: 2-[4-(difluoromethoxy)-3-ethoxy-phenyl]-1H-imidazole-4-carboxylic 2-[4-(difluoromethoxy)-3-ethoxy-…

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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) 2.43 5.94 -57.63 1 6 -1 87 297.237 6 ↓
Mid Mid (pH 6-8) 2.43 6.35 -38.24 2 6 0 89 298.245 6 ↓

Analogs

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Popular Name: 2-(4-tert-butylphenyl)-1H-imidazole-4-carboxylic 2-(4-tert-butylphenyl)-1H-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) 3.56 7.87 -57.13 1 4 -1 69 243.286 3 ↓
Mid Mid (pH 6-8) 3.56 8.28 -33.78 2 4 0 70 244.294 3 ↓

Analogs

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Popular Name: 2-(2,3,4-trimethoxyphenyl)-1H-imidazole-4-carboxylic 2-(2,3,4-trimethoxyphenyl)-1H-im…

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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 5.29 -62.07 1 7 -1 97 277.256 5 ↓
Mid Mid (pH 6-8) 1.68 5.24 -33.06 2 7 0 98 278.264 5 ↓

Analogs

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Popular Name: 2-(3,4,5-trimethoxyphenyl)-1H-imidazole-4-carboxylic 2-(3,4,5-trimethoxyphenyl)-1H-im…

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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 4.68 -56.64 1 7 -1 97 277.256 5 ↓
Mid Mid (pH 6-8) 1.49 5.09 -38.14 2 7 0 98 278.264 5 ↓

Analogs

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Popular Name: 2-[2-(difluoromethoxy)phenyl]-1H-imidazole-4-carboxylic 2-[2-(difluoromethoxy)phenyl]-1H…

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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 5.5 -59.56 1 5 -1 78 253.184 4 ↓
Lo Low (pH 4.5-6) 2.42 5.63 -33.81 2 5 0 79 254.192 4 ↓

Analogs

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Popular Name: 2-[4-(trifluoromethoxy)phenyl]-1H-imidazole-4-carboxylic 2-[4-(trifluoromethoxy)phenyl]-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) 2.82 5.32 -53.63 1 5 -1 78 271.174 4 ↓
Mid Mid (pH 6-8) 2.82 5.73 -37.09 2 5 0 79 272.182 4 ↓

Analogs

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Popular Name: 2-[4-(trifluoromethylsulfanyl)phenyl]-1H-imidazole-4-carboxylic 2-[4-(trifluoromethylsulfanyl)ph…

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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) 5.84 7.01 -53.21 1 4 -1 69 287.242 4 ↓
Lo Low (pH 4.5-6) 5.84 7.42 -37.29 2 4 0 70 288.25 4 ↓

Analogs

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Popular Name: 2-[2-(trifluoromethoxy)phenyl]-1H-imidazole-4-carboxylic 2-[2-(trifluoromethoxy)phenyl]-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) 2.77 5.71 -62.03 1 5 -1 78 271.174 4 ↓
Lo Low (pH 4.5-6) 2.77 5.85 -31.56 2 5 0 79 272.182 4 ↓

Analogs

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Popular Name: 2-(2,4,6-trimethylphenyl)-1H-imidazole-4-carboxylic 2-(2,4,6-trimethylphenyl)-1H-imi…

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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) 3.06 8.25 -57.06 1 4 -1 69 229.259 2 ↓
Mid Mid (pH 6-8) 3.06 7.81 -31.24 2 4 0 70 230.267 2 ↓

Analogs

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Popular Name: 2-(2,6-dichlorophenyl)-1H-imidazole-4-carboxylic 2-(2,6-dichlorophenyl)-1H-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) 3.11 7.06 -57.68 1 4 -1 69 256.068 2 ↓
Lo Low (pH 4.5-6) 3.11 7 -31.46 2 4 0 70 257.076 2 ↓

Analogs

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Popular Name: 2-(2,4,6-trimethoxyphenyl)-1H-imidazole-4-carboxylic 2-(2,4,6-trimethoxyphenyl)-1H-im…

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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) 1.88 4.27 -62.46 1 7 -1 97 277.256 5 ↓
Mid Mid (pH 6-8) 1.88 4.23 -33.07 2 7 0 98 278.264 5 ↓

Parameters Provided:

ring.id = 17824
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 = 17824 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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