UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-fluoro-6-(2,4,5-trioxoimidazolidin-1-yl)benzonitrile 2-fluoro-6-(2,4,5-trioxoimidazol…

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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) 0.27 0.02 -44.28 0 6 -1 99 232.15 1 ↓
Lo Low (pH 4.5-6) -0.19 2.68 -13.43 1 6 0 96 233.158 1 ↓

Analogs

44880379
44880379

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Popular Name: 1-(4-dimethylaminophenyl)imidazolidine-2,4,5-trione 1-(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) 0.34 -0.45 -37.53 0 6 -1 78 232.219 2 ↓
Lo Low (pH 4.5-6) -0.12 2.22 -6.53 1 6 0 75 233.227 2 ↓

Analogs

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Popular Name: 1-[2-fluoro-5-(trifluoromethyl)phenyl]imidazolidine-2,4,5-trione 1-[2-fluoro-5-(trifluoromethyl)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) 1.65 0.46 -38.33 0 5 -1 75 275.137 2 ↓
Mid Mid (pH 6-8) 1.19 3.11 -8.28 1 5 0 72 276.145 2 ↓

Analogs

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Popular Name: 1-[4-(diethylamino)phenyl]imidazolidine-2,4,5-trione 1-[4-(diethylamino)phenyl]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) 1.09 1.45 -37.48 0 6 -1 78 260.273 4 ↓
Mid Mid (pH 6-8) 0.63 4.13 -6.04 1 6 0 75 261.281 4 ↓
Lo Low (pH 4.5-6) 0.63 4.22 -65.36 2 6 0 76 262.289 4 ↓

Analogs

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Popular Name: 1-(4-butylphenyl)imidazolidine-2,4,5-trione 1-(4-butylphenyl)imidazolidine-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) 2.10 2.16 -35.81 0 5 -1 75 245.258 4 ↓
Mid Mid (pH 6-8) 1.64 4.84 -5.56 1 5 0 72 246.266 4 ↓

Analogs

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Popular Name: 1-(4-propylphenyl)imidazolidine-2,4,5-trione 1-(4-propylphenyl)imidazolidine-…

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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) 1.54 1.38 -35.76 0 5 -1 75 231.231 3 ↓
Mid Mid (pH 6-8) 1.08 4.06 -5.54 1 5 0 72 232.239 3 ↓

Analogs

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Popular Name: 1-(3-fluoro-4-methoxy-phenyl)imidazolidine-2,4,5-trione 1-(3-fluoro-4-methoxy-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) 0.60 -1.49 -34.77 0 6 -1 84 237.166 2 ↓
Mid Mid (pH 6-8) 0.14 1.19 -7.87 1 6 0 81 238.174 2 ↓

Analogs

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Popular Name: 1-[4-(difluoromethoxy)phenyl]imidazolidine-2,4,5-trione 1-[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) 0.85 -1.28 -36.52 0 6 -1 84 255.156 3 ↓
Mid Mid (pH 6-8) 0.39 1.4 -7.89 1 6 0 81 256.164 3 ↓

Analogs

44270403
44270403

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Popular Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]imidazolidine-2,4,5-trione 1-[4-chloro-3-(trifluoromethyl)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) 1.95 0.59 -30.7 0 5 -1 75 291.592 2 ↓
Lo Low (pH 4.5-6) 1.49 3.27 -6.46 1 5 0 72 292.6 2 ↓

Analogs

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Popular Name: 1-[2-chloro-5-(trifluoromethyl)phenyl]imidazolidine-2,4,5-trione 1-[2-chloro-5-(trifluoromethyl)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) 2.16 1.14 -37.24 0 5 -1 75 291.592 2 ↓
Lo Low (pH 4.5-6) 1.70 3.8 -7.76 1 5 0 72 292.6 2 ↓

Analogs

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Popular Name: 3-(2,4,5-trioxoimidazolidin-1-yl)benzenesulfonamide 3-(2,4,5-trioxoimidazolidin-1-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) -0.88 -5.87 -41.46 2 8 -1 135 268.23 2 ↓
Lo Low (pH 4.5-6) -1.34 -3.19 -13.96 3 8 0 132 269.238 2 ↓

Analogs

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Popular Name: 1-(3,4,5-trimethoxyphenyl)imidazolidine-2,4,5-trione 1-(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 -1.7 -34.3 0 8 -1 103 279.228 4 ↓
Mid Mid (pH 6-8) -0.17 0.98 -8.78 1 8 0 100 280.236 4 ↓

Analogs

34974589
34974589

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Popular Name: 1-(4-tert-butylphenyl)imidazolidine-2,4,5-trione 1-(4-tert-butylphenyl)imidazolid…

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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 1.48 -35.63 0 5 -1 75 245.258 2 ↓
Mid Mid (pH 6-8) 1.49 4.16 -5.36 1 5 0 72 246.266 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4,5-trione 1-[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) 1.21 -1.07 -31.4 0 6 -1 84 273.146 3 ↓
Mid Mid (pH 6-8) 0.75 1.62 -5.16 1 6 0 81 274.154 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(trifluoromethyl)phenyl]imidazolidine-2,4,5-trione 1-[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) 1.30 0.31 -42.85 0 5 -1 75 257.147 2 ↓
Lo Low (pH 4.5-6) 0.84 2.97 -9.64 1 5 0 72 258.155 2 ↓

Analogs

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Popular Name: 1-(3,5-dimethoxyphenyl)imidazolidine-2,4,5-trione 1-(3,5-dimethoxyphenyl)imidazoli…

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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 -2.24 -39.54 0 7 -1 93 249.202 3 ↓
Lo Low (pH 4.5-6) 0.24 0.44 -8.72 1 7 0 90 250.21 3 ↓

Analogs

44270403
44270403

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Popular Name: 1-[4-(trifluoromethyl)phenyl]imidazolidine-2,4,5-trione 1-[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) 1.13 0.16 -31.21 0 5 -1 75 257.147 2 ↓
Mid Mid (pH 6-8) 0.67 2.84 -5.58 1 5 0 72 258.155 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,4-dimethoxyphenyl)imidazolidine-2,4,5-trione 1-(3,4-dimethoxyphenyl)imidazoli…

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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) 0.09 -1.63 -35.98 0 7 -1 93 249.202 3 ↓
Mid Mid (pH 6-8) -0.36 1.04 -8.45 1 7 0 90 250.21 3 ↓

Analogs

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Popular Name: 1-[4-chloro-2-(trifluoromethyl)phenyl]imidazolidine-2,4,5-trione 1-[4-chloro-2-(trifluoromethyl)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) 1.95 0.83 -37.45 0 5 -1 75 291.592 2 ↓
Lo Low (pH 4.5-6) 1.49 3.49 -7.82 1 5 0 72 292.6 2 ↓

Analogs

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Popular Name: 1-(5-chloro-2,4-dimethoxy-phenyl)imidazolidine-2,4,5-trione 1-(5-chloro-2,4-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) 1.31 -1.41 -41.9 0 7 -1 93 283.647 3 ↓
Mid Mid (pH 6-8) 0.85 1.25 -10.09 1 7 0 90 284.655 3 ↓

Analogs

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Popular Name: 1-(2,5-diethoxyphenyl)imidazolidine-2,4,5-trione 1-(2,5-diethoxyphenyl)imidazolid…

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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) 1.45 -0.12 -45.89 0 7 -1 93 277.256 5 ↓
Lo Low (pH 4.5-6) 1.00 2.54 -10.32 1 7 0 90 278.264 5 ↓

Analogs

44270403
44270403

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Popular Name: 1-[3-(trifluoromethyl)phenyl]imidazolidine-2,4,5-trione 1-[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) 1.32 0.18 -34.46 0 5 -1 75 257.147 2 ↓
Mid Mid (pH 6-8) 0.86 2.85 -7.04 1 5 0 72 258.155 2 ↓

Analogs

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Popular Name: 1-(2,4-dimethoxyphenyl)imidazolidine-2,4,5-trione 1-(2,4-dimethoxyphenyl)imidazoli…

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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 -1.96 -42.88 0 7 -1 93 249.202 3 ↓
Mid Mid (pH 6-8) 0.03 0.68 -9.97 1 7 0 90 250.21 3 ↓

Analogs

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Popular Name: 1-(2,6-diethylphenyl)imidazolidine-2,4,5-trione 1-(2,6-diethylphenyl)imidazolidi…

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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 2.4 -42 0 5 -1 75 245.258 3 ↓
Lo Low (pH 4.5-6) 1.94 5.06 -7.3 1 5 0 72 246.266 3 ↓

Analogs

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Popular Name: 1-(4-chloro-2-methoxy-5-methyl-phenyl)imidazolidine-2,4,5-trione 1-(4-chloro-2-methoxy-5-methyl-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) 1.70 -0.15 -39.89 0 6 -1 84 267.648 2 ↓
Lo Low (pH 4.5-6) 1.24 2.51 -8.3 1 6 0 81 268.656 2 ↓

Analogs

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Popular Name: 1-(4-chloro-2,5-dimethoxy-phenyl)imidazolidine-2,4,5-trione 1-(4-chloro-2,5-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) 1.31 -1.41 -39.56 0 7 -1 93 283.647 3 ↓
Lo Low (pH 4.5-6) 0.85 1.25 -9.34 1 7 0 90 284.655 3 ↓

Analogs

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Popular Name: 1-[2-(difluoromethylsulfanyl)phenyl]imidazolidine-2,4,5-trione 1-[2-(difluoromethylsulfanyl)phe…

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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 0.94 -42.28 0 5 -1 75 271.224 3 ↓
Lo Low (pH 4.5-6) 0.93 3.6 -10.01 1 5 0 72 272.232 3 ↓

Analogs

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Popular Name: 1-[2-(trifluoromethoxy)phenyl]imidazolidine-2,4,5-trione 1-[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) 1.37 -0.76 -41.1 0 6 -1 84 273.146 3 ↓
Lo Low (pH 4.5-6) 0.91 1.9 -8.99 1 6 0 81 274.154 3 ↓

Analogs

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Popular Name: 1-[2-(difluoromethoxy)phenyl]imidazolidine-2,4,5-trione 1-[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) 1.01 -0.98 -42.31 0 6 -1 84 255.156 3 ↓
Lo Low (pH 4.5-6) 0.56 1.67 -10.8 1 6 0 81 256.164 3 ↓

Analogs

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Popular Name: N-[3-(2,4,5-trioxoimidazolidin-1-yl)phenyl]acetamide N-[3-(2,4,5-trioxoimidazolidin-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) -0.36 -1.94 -38.15 1 7 -1 104 246.202 2 ↓
Lo Low (pH 4.5-6) -0.81 0.73 -10.46 2 7 0 101 247.21 2 ↓

Analogs

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Popular Name: 1-(4-methylsulfonylphenyl)imidazolidine-2,4,5-trione 1-(4-methylsulfonylphenyl)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) -0.89 -3.3 -40.94 0 7 -1 109 267.242 2 ↓
Lo Low (pH 4.5-6) -1.35 -0.62 -13.57 1 7 0 106 268.25 2 ↓

Analogs

44880379
44880379

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Popular Name: N-[4-(2,4,5-trioxoimidazolidin-1-yl)phenyl]acetamide N-[4-(2,4,5-trioxoimidazolidin-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) -0.55 -1.95 -42.17 1 7 -1 104 246.202 2 ↓
Lo Low (pH 4.5-6) -1.00 0.72 -11.84 2 7 0 101 247.21 2 ↓

Analogs

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Popular Name: 1-[2-chloro-6-(trifluoromethyl)phenyl]imidazolidine-2,4,5-trione 1-[2-chloro-6-(trifluoromethyl)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) 2.14 1.14 -44.19 0 5 -1 75 291.592 2 ↓
Lo Low (pH 4.5-6) 1.68 3.81 -9.89 1 5 0 72 292.6 2 ↓

Analogs

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Popular Name: 1-[3-(trifluoromethoxy)phenyl]imidazolidine-2,4,5-trione 1-[3-(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) 1.39 -1.05 -33.17 0 6 -1 84 273.146 3 ↓
Lo Low (pH 4.5-6) 0.94 1.63 -6.15 1 6 0 81 274.154 3 ↓

Analogs

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Popular Name: 1-(4-isopropoxyphenyl)imidazolidine-2,4,5-trione 1-(4-isopropoxyphenyl)imidazolid…

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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) 1.03 -0 -34.98 0 6 -1 84 247.23 3 ↓
Mid Mid (pH 6-8) 0.57 2.68 -6.14 1 6 0 81 248.238 3 ↓

Analogs

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Popular Name: 1-[3-(methoxymethyl)phenyl]imidazolidine-2,4,5-trione 1-[3-(methoxymethyl)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) 0.38 -1.12 -38.06 0 6 -1 84 233.203 3 ↓
Mid Mid (pH 6-8) -0.08 1.56 -7.43 1 6 0 81 234.211 3 ↓

Analogs

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Popular Name: 1-[2-(methoxymethyl)phenyl]imidazolidine-2,4,5-trione 1-[2-(methoxymethyl)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) 0.35 -0.48 -39.04 0 6 -1 84 233.203 3 ↓
Lo Low (pH 4.5-6) -0.10 2.18 -8.16 1 6 0 81 234.211 3 ↓

Analogs

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Popular Name: 1-(4-methoxy-3-methyl-phenyl)imidazolidine-2,4,5-trione 1-(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) 0.88 -0.82 -35.77 0 6 -1 84 233.203 2 ↓
Mid Mid (pH 6-8) 0.42 1.86 -6.59 1 6 0 81 234.211 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-propylphenyl)imidazolidine-2,4,5-trione 1-(2-propylphenyl)imidazolidine-…

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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 1.58 -41.08 0 5 -1 75 231.231 3 ↓
Lo Low (pH 4.5-6) 1.25 4.24 -7.35 1 5 0 72 232.239 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-ethoxyphenyl)imidazolidine-2,4,5-trione 1-(3-ethoxyphenyl)imidazolidine-…

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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 -0.62 -38.4 0 6 -1 84 233.203 3 ↓
Lo Low (pH 4.5-6) 0.40 2.06 -7.93 1 6 0 81 234.211 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(5-bromo-2-methoxy-phenyl)imidazolidine-2,4,5-trione 1-(5-bromo-2-methoxy-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) 1.45 -0.65 -41.69 0 6 -1 84 298.072 2 ↓
Lo Low (pH 4.5-6) 1.00 2.03 -8.97 1 6 0 81 299.08 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-fluoro-2-methoxy-phenyl)imidazolidine-2,4,5-trione 1-(4-fluoro-2-methoxy-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) 0.60 -1.2 -39.38 0 6 -1 84 237.166 2 ↓
Lo Low (pH 4.5-6) 0.14 1.47 -8.63 1 6 0 81 238.174 2 ↓

Parameters Provided:

ring.id = 76791
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 = 76791 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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