UCSF
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Analogs

40505167
40505167

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Popular Name: 5-(2-chloroethyl)-4-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazole 5-(2-chloroethyl)-4-(4-fluorophe…

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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) 3.70 7.76 -6.23 1 2 0 29 270.76 4 ↓
Lo Low (pH 4.5-6) 3.70 8.15 -31.71 2 2 1 30 271.768 4 ↓

Analogs

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Popular Name: 4-(4-methoxy-3-methyl-phenyl)imidazole-1,5-diamine 4-(4-methoxy-3-methyl-phenyl)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) 1.09 4.84 -33.97 5 5 1 80 219.268 2 ↓
Mid Mid (pH 6-8) 1.09 4.42 -9.79 4 5 0 79 218.26 2 ↓

Analogs

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Popular Name: 4-(4-fluoro-3-methyl-phenyl)imidazole-1,5-diamine 4-(4-fluoro-3-methyl-phenyl)imid…

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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) 1.20 5.09 -8.43 4 4 0 70 206.224 1 ↓
Mid Mid (pH 6-8) 1.20 5.51 -35.54 5 4 1 71 207.232 1 ↓

Analogs

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Popular Name: 4-(4-fluoro-2-methyl-phenyl)imidazole-1,5-diamine 4-(4-fluoro-2-methyl-phenyl)imid…

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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) 1.20 5.13 -7.62 4 4 0 70 206.224 1 ↓
Mid Mid (pH 6-8) 1.20 5.1 -34.59 5 4 1 71 207.232 1 ↓

Analogs

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Popular Name: 4-(2-bromo-4,5-dimethoxy-phenyl)imidazole-1,5-diamine 4-(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) 1.04 4.3 -35.89 5 6 1 90 314.163 3 ↓
Mid Mid (pH 6-8) 1.04 4.29 -10.51 4 6 0 88 313.155 3 ↓

Analogs

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Popular Name: 4-[2-(difluoromethoxy)phenyl]imidazole-1,5-diamine 4-[2-(difluoromethoxy)phenyl]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) 1.23 4 -11.6 4 5 0 79 240.213 3 ↓
Mid Mid (pH 6-8) 1.23 4.37 -34.03 5 5 1 80 241.221 3 ↓

Analogs

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Popular Name: 4-(2,6-dichlorophenyl)imidazole-1,5-diamine 4-(2,6-dichlorophenyl)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) 1.92 5.12 -8.55 4 4 0 70 243.097 1 ↓
Lo Low (pH 4.5-6) 1.92 5.59 -29.86 5 4 1 71 244.105 1 ↓

Analogs

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Popular Name: 4-(2-bromophenyl)imidazole-1,5-diamine 4-(2-bromophenyl)imidazole-1,5-d…

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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) 1.42 5.09 -8.73 4 4 0 70 253.103 1 ↓
Mid Mid (pH 6-8) 1.42 5.1 -31.25 5 4 1 71 254.111 1 ↓

Analogs

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Popular Name: 4-[4-(trifluoromethylsulfanyl)phenyl]imidazole-1,5-diamine 4-[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) 4.64 5.88 -7.29 4 4 0 70 274.271 3 ↓
Mid Mid (pH 6-8) 4.64 6.3 -35.79 5 4 1 71 275.279 3 ↓

Analogs

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Popular Name: 4-[2-(trifluoromethoxy)phenyl]imidazole-1,5-diamine 4-[2-(trifluoromethoxy)phenyl]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) 1.58 4.21 -10.02 4 5 0 79 258.203 3 ↓
Mid Mid (pH 6-8) 1.58 4.58 -32.51 5 5 1 80 259.211 3 ↓

Analogs

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Popular Name: 4-[4-(trifluoromethoxy)phenyl]imidazole-1,5-diamine 4-[4-(trifluoromethoxy)phenyl]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) 1.63 4.59 -35.59 5 5 1 80 259.211 3 ↓
Mid Mid (pH 6-8) 1.63 4.17 -7.5 4 5 0 79 258.203 3 ↓

Analogs

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Popular Name: 4-(3-fluorophenyl)imidazole-1,5-diamine 4-(3-fluorophenyl)imidazole-1,5-…

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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) 0.80 4.45 -7.93 4 4 0 70 192.197 1 ↓
Mid Mid (pH 6-8) 0.80 4.88 -34.73 5 4 1 71 193.205 1 ↓

Analogs

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Popular Name: 4-(3-chlorophenyl)imidazole-1,5-diamine 4-(3-chlorophenyl)imidazole-1,5-…

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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) 1.31 4.91 -7.54 4 4 0 70 208.652 1 ↓
Mid Mid (pH 6-8) 1.31 5.33 -34 5 4 1 71 209.66 1 ↓

Analogs

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Popular Name: 4-[4-(trifluoromethyl)phenyl]imidazole-1,5-diamine 4-[4-(trifluoromethyl)phenyl]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) 1.55 5.81 -36.76 5 4 1 71 243.212 2 ↓
Mid Mid (pH 6-8) 1.55 5.39 -8.17 4 4 0 70 242.204 2 ↓

Analogs

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Popular Name: 4-(p-tolyl)imidazole-1,5-diamine 4-(p-tolyl)imidazole-1,5-diamine

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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 5.48 -31.7 5 4 1 71 189.242 1 ↓
Mid Mid (pH 6-8) 1.11 5.06 -8.84 4 4 0 70 188.234 1 ↓

Analogs

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Popular Name: 4-(2,6-difluorophenyl)imidazole-1,5-diamine 4-(2,6-difluorophenyl)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) 0.89 4.41 -11.25 4 4 0 70 210.187 1 ↓
Mid Mid (pH 6-8) 0.89 4.85 -30.52 5 4 1 71 211.195 1 ↓

Analogs

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Popular Name: 3-(1,5-diaminoimidazol-4-yl)benzonitrile 3-(1,5-diaminoimidazol-4-yl)benz…

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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) 0.39 4.78 -11.54 4 5 0 94 199.217 1 ↓
Mid Mid (pH 6-8) 0.39 5.2 -38.52 5 5 1 95 200.225 1 ↓

Analogs

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Popular Name: 4-(3-bromo-4-fluoro-phenyl)imidazole-1,5-diamine 4-(3-bromo-4-fluoro-phenyl)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) 1.56 5.05 -7.37 4 4 0 70 271.093 1 ↓
Mid Mid (pH 6-8) 1.56 5.47 -37.83 5 4 1 71 272.101 1 ↓

Analogs

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Popular Name: 4-[3-(difluoromethoxy)-4-methoxy-phenyl]imidazole-1,5-diamine 4-[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) 0.86 4.3 -36.31 5 6 1 90 271.247 4 ↓
Mid Mid (pH 6-8) 0.86 3.88 -14.94 4 6 0 88 270.239 4 ↓

Analogs

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Popular Name: 4-[4-(difluoromethoxy)-3-ethoxy-phenyl]imidazole-1,5-diamine 4-[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) 1.24 5.21 -38.88 5 6 1 90 285.274 5 ↓
Mid Mid (pH 6-8) 1.24 4.79 -12.01 4 6 0 88 284.266 5 ↓

Analogs

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Popular Name: 4-(2-chlorophenyl)imidazole-1,5-diamine 4-(2-chlorophenyl)imidazole-1,5-…

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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 4.93 -9.1 4 4 0 70 208.652 1 ↓
Mid Mid (pH 6-8) 1.29 5.04 -31.22 5 4 1 71 209.66 1 ↓

Analogs

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Popular Name: 4-(4-dimethylaminophenyl)imidazole-1,5-diamine 4-(4-dimethylaminophenyl)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) 0.76 4.81 -9.61 4 5 0 73 217.276 2 ↓
Mid Mid (pH 6-8) 0.76 5.23 -31.64 5 5 1 74 218.284 2 ↓

Analogs

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Popular Name: 4-(4-bromophenyl)imidazole-1,5-diamine 4-(4-bromophenyl)imidazole-1,5-d…

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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) 1.47 5.01 -7.76 4 4 0 70 253.103 1 ↓
Mid Mid (pH 6-8) 1.47 5.43 -34.75 5 4 1 71 254.111 1 ↓

Analogs

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Popular Name: 4-(4-chlorophenyl)imidazole-1,5-diamine 4-(4-chlorophenyl)imidazole-1,5-…

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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 4.91 -7.83 4 4 0 70 208.652 1 ↓
Mid Mid (pH 6-8) 1.34 5.33 -34.6 5 4 1 71 209.66 1 ↓

Analogs

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Popular Name: 4-(3,4,5-trimethoxyphenyl)imidazole-1,5-diamine 4-(3,4,5-trimethoxyphenyl)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) 0.29 3.94 -41.38 5 7 1 99 265.293 4 ↓
Mid Mid (pH 6-8) 0.29 3.53 -12.78 4 7 0 98 264.285 4 ↓

Analogs

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Popular Name: 4-(2-chloro-6-fluoro-phenyl)imidazole-1,5-diamine 4-(2-chloro-6-fluoro-phenyl)imid…

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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 4.94 -9.41 4 4 0 70 226.642 1 ↓
Mid Mid (pH 6-8) 1.40 5.21 -30.18 5 4 1 71 227.65 1 ↓

Analogs

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Popular Name: 4-(4-fluorophenyl)imidazole-1,5-diamine 4-(4-fluorophenyl)imidazole-1,5-…

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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 4.45 -8.24 4 4 0 70 192.197 1 ↓
Mid Mid (pH 6-8) 0.82 4.88 -35.32 5 4 1 71 193.205 1 ↓

Analogs

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Popular Name: 4-(3-bromophenyl)imidazole-1,5-diamine 4-(3-bromophenyl)imidazole-1,5-d…

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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) 1.44 5.01 -7.47 4 4 0 70 253.103 1 ↓
Mid Mid (pH 6-8) 1.44 5.43 -34.05 5 4 1 71 254.111 1 ↓

Analogs

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Popular Name: 4-(2,3-dimethoxyphenyl)imidazole-1,5-diamine 4-(2,3-dimethoxyphenyl)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) 0.48 3.71 -12.91 4 6 0 88 234.259 3 ↓
Mid Mid (pH 6-8) 0.48 4.08 -33.55 5 6 1 90 235.267 3 ↓

Analogs

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Popular Name: 4-(2,4-dichlorophenyl)imidazole-1,5-diamine 4-(2,4-dichlorophenyl)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) 1.94 5.44 -7.86 4 4 0 70 243.097 1 ↓
Mid Mid (pH 6-8) 1.94 5.55 -33.72 5 4 1 71 244.105 1 ↓

Analogs

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Popular Name: 4-(3,4-dimethoxyphenyl)imidazole-1,5-diamine 4-(3,4-dimethoxyphenyl)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) 0.31 4.02 -37.83 5 6 1 90 235.267 3 ↓
Mid Mid (pH 6-8) 0.31 3.6 -12.12 4 6 0 88 234.259 3 ↓

Analogs

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Popular Name: 4-(4-methoxyphenyl)imidazole-1,5-diamine 4-(4-methoxyphenyl)imidazole-1,5…

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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) 0.72 4.1 -34.03 5 5 1 80 205.241 2 ↓
Mid Mid (pH 6-8) 0.72 3.68 -9.32 4 5 0 79 204.233 2 ↓

Analogs

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Popular Name: 4-(2,4-dimethoxyphenyl)imidazole-1,5-diamine 4-(2,4-dimethoxyphenyl)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) 0.70 3.38 -32.48 5 6 1 90 235.267 3 ↓
Mid Mid (pH 6-8) 0.70 3.02 -11.34 4 6 0 88 234.259 3 ↓

Analogs

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Popular Name: 4-(2,4-difluorophenyl)imidazole-1,5-diamine 4-(2,4-difluorophenyl)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) 0.91 4.46 -9.8 4 4 0 70 210.187 1 ↓
Mid Mid (pH 6-8) 0.91 4.88 -34.61 5 4 1 71 211.195 1 ↓

Analogs

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Popular Name: 4-(3,4-dichlorophenyl)imidazole-1,5-diamine 4-(3,4-dichlorophenyl)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) 1.94 5.36 -7.11 4 4 0 70 243.097 1 ↓
Mid Mid (pH 6-8) 1.94 5.78 -37.03 5 4 1 71 244.105 1 ↓

Analogs

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Popular Name: 4-[4-(difluoromethoxy)phenyl]imidazole-1,5-diamine 4-[4-(difluoromethoxy)phenyl]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) 1.27 4.38 -35.88 5 5 1 80 241.221 3 ↓
Mid Mid (pH 6-8) 1.27 3.96 -10.46 4 5 0 79 240.213 3 ↓

Analogs

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Popular Name: 4-[2-(trifluoromethyl)phenyl]imidazole-1,5-diamine 4-[2-(trifluoromethyl)phenyl]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) 1.51 5.66 -10.29 4 4 0 70 242.204 2 ↓
Mid Mid (pH 6-8) 1.51 5.48 -32.25 5 4 1 71 243.212 2 ↓

Analogs

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Popular Name: 4-(3-methoxyphenyl)imidazole-1,5-diamine 4-(3-methoxyphenyl)imidazole-1,5…

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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) 0.69 3.69 -11.35 4 5 0 79 204.233 2 ↓
Mid Mid (pH 6-8) 0.69 4.1 -33.03 5 5 1 80 205.241 2 ↓

Analogs

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Popular Name: 4-(4-isopropylphenyl)imidazole-1,5-diamine 4-(4-isopropylphenyl)imidazole-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) 2.17 6.73 -31.58 5 4 1 71 217.296 2 ↓
Mid Mid (pH 6-8) 2.17 6.31 -8.42 4 4 0 70 216.288 2 ↓

Analogs

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Popular Name: 4-[3-(trifluoromethyl)phenyl]imidazole-1,5-diamine 4-[3-(trifluoromethyl)phenyl]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) 1.53 5.81 -35.3 5 4 1 71 243.212 2 ↓
Mid Mid (pH 6-8) 1.53 5.39 -9.91 4 4 0 70 242.204 2 ↓

Analogs

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Popular Name: 4-(2,3,4-trimethoxyphenyl)imidazole-1,5-diamine 4-(2,3,4-trimethoxyphenyl)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) 0.49 4.01 -36.78 5 7 1 99 265.293 4 ↓
Mid Mid (pH 6-8) 0.49 3.64 -12.95 4 7 0 98 264.285 4 ↓

Analogs

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Popular Name: 4-(2-ethoxyphenyl)imidazole-1,5-diamine 4-(2-ethoxyphenyl)imidazole-1,5-…

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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) 1.04 4.65 -10.5 4 5 0 79 218.26 3 ↓
Mid Mid (pH 6-8) 1.04 5.01 -30.03 5 5 1 80 219.268 3 ↓

Analogs

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Popular Name: 4-(4-ethoxyphenyl)imidazole-1,5-diamine 4-(4-ethoxyphenyl)imidazole-1,5-…

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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) 1.09 5.03 -33.91 5 5 1 80 219.268 3 ↓
Mid Mid (pH 6-8) 1.09 4.61 -9.14 4 5 0 79 218.26 3 ↓

Analogs

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Popular Name: 4-(2-methoxyphenyl)imidazole-1,5-diamine 4-(2-methoxyphenyl)imidazole-1,5…

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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) 0.67 3.72 -10.64 4 5 0 79 204.233 2 ↓
Mid Mid (pH 6-8) 0.67 4.09 -30.32 5 5 1 80 205.241 2 ↓

Analogs

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Popular Name: 4-(o-tolyl)imidazole-1,5-diamine 4-(o-tolyl)imidazole-1,5-diamine

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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) 1.06 5.07 -7.97 4 4 0 70 188.234 1 ↓
Mid Mid (pH 6-8) 1.06 5.04 -31.11 5 4 1 71 189.242 1 ↓

Analogs

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Popular Name: 4-(1,5-diaminoimidazol-4-yl)benzonitrile 4-(1,5-diaminoimidazol-4-yl)benz…

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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 4.79 -10.04 4 5 0 94 199.217 1 ↓
Mid Mid (pH 6-8) 0.41 5.21 -40.4 5 5 1 95 200.225 1 ↓

Analogs

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Popular Name: 4-(5-bromo-2-fluoro-phenyl)imidazole-1,5-diamine 4-(5-bromo-2-fluoro-phenyl)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) 1.56 5.01 -8.91 4 4 0 70 271.093 1 ↓
Mid Mid (pH 6-8) 1.56 5.43 -32.51 5 4 1 71 272.101 1 ↓

Analogs

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Popular Name: 4-(2,4,5-trimethoxyphenyl)imidazole-1,5-diamine 4-(2,4,5-trimethoxyphenyl)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) 0.29 3.31 -35.51 5 7 1 99 265.293 4 ↓
Mid Mid (pH 6-8) 0.29 2.94 -12.94 4 7 0 98 264.285 4 ↓

Analogs

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Popular Name: 4-(m-tolyl)imidazole-1,5-diamine 4-(m-tolyl)imidazole-1,5-diamine

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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) 1.08 5.47 -31.78 5 4 1 71 189.242 1 ↓
Mid Mid (pH 6-8) 1.08 5.05 -9.05 4 4 0 70 188.234 1 ↓

Analogs

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Popular Name: 4-(4-ethylphenyl)imidazole-1,5-diamine 4-(4-ethylphenyl)imidazole-1,5-d…

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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) 1.57 6.25 -31.65 5 4 1 71 203.269 2 ↓
Mid Mid (pH 6-8) 1.57 5.83 -8.6 4 4 0 70 202.261 2 ↓

Parameters Provided:

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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 = 13870 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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