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

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Popular Name: 1-prop-2-ynylimidazolidine-2,4,5-trione 1-prop-2-ynylimidazolidine-2,4,5…

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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) -0.88 -2.69 -35.77 0 5 -1 75 151.101 1 ↓
Lo Low (pH 4.5-6) -1.34 0 -7.61 1 5 0 72 152.109 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-[2-methoxyethyl(methyl)amino]ethyl]imidazolidine-2,4,5-trione 1-[2-[2-methoxyethyl(methyl)amin…

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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) -1.02 -2.08 -46.05 1 7 0 89 229.236 6 ↓
Hi High (pH 8-9.5) -1.02 -4.5 -36.11 0 7 -1 87 228.228 6 ↓
Hi High (pH 8-9.5) -1.48 -1.83 -7.37 1 7 0 84 229.236 6 ↓

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-(1-piperidyl)phenyl]imidazolidine-2,4,5-trione 1-[4-(1-piperidyl)phenyl]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) 1.25 1.53 -37.18 0 6 -1 78 272.284 2 ↓
Mid Mid (pH 6-8) 0.79 4.2 -6.02 1 6 0 75 273.292 2 ↓

Analogs

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Popular Name: 1-(4-pyrrolidin-1-ylphenyl)imidazolidine-2,4,5-trione 1-(4-pyrrolidin-1-ylphenyl)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) 0.74 0.86 -37.37 0 6 -1 78 258.257 2 ↓
Mid Mid (pH 6-8) 0.28 3.54 -6.27 1 6 0 75 259.265 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-morpholinophenyl)imidazolidine-2,4,5-trione 1-(4-morpholinophenyl)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) 0.18 -0.89 -37.65 0 7 -1 87 274.256 2 ↓
Mid Mid (pH 6-8) -0.27 1.79 -7.43 1 7 0 84 275.264 2 ↓

Analogs

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Popular Name: 1-(3,3,3-trifluoropropyl)imidazolidine-2,4,5-trione 1-(3,3,3-trifluoropropyl)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) 0.16 -2.08 -31.97 0 5 -1 75 209.103 3 ↓
Mid Mid (pH 6-8) -0.30 0.58 -7.13 1 5 0 72 210.111 3 ↓

Analogs

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Popular Name: 1-(1,1-dimethylprop-2-ynyl)imidazolidine-2,4,5-trione 1-(1,1-dimethylprop-2-ynyl)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) -0.07 -1.69 -36.94 0 5 -1 75 179.155 1 ↓
Mid Mid (pH 6-8) -0.53 0.89 -6.55 1 5 0 72 180.163 1 ↓

Analogs

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Popular Name: 2-(p-tolylsulfonyl)imidazo[1,5-a]indole-1,3-dione 2-(p-tolylsulfonyl)imidazo[1,5-a…

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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 8.78 -15.87 0 6 0 78 340.36 2 ↓

Analogs

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Popular Name: benzenesulfonylBLAHdione benzenesulfonylBLAHdione

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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 7.37 -21.31 0 7 0 91 327.321 2 ↓

Analogs

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Popular Name: 1-(4-cyclopropylthiazol-2-yl)imidazolidine-2,4,5-trione 1-(4-cyclopropylthiazol-2-yl)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) 0.30 -0.4 -39.49 0 6 -1 88 236.232 2 ↓

Analogs

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Popular Name: 1-(4-isopropylthiazol-2-yl)imidazolidine-2,4,5-trione 1-(4-isopropylthiazol-2-yl)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) 0.99 -0.6 -39.44 0 6 -1 88 238.248 2 ↓

Analogs

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Popular Name: N-methyl-2-(2,4,5-trioxoimidazolidin-1-yl)acetamide N-methyl-2-(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) -1.93 -5.34 -44.85 1 7 -1 104 184.131 2 ↓
Mid Mid (pH 6-8) -2.39 -2.67 -13.8 2 7 0 101 185.139 2 ↓

Analogs

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Popular Name: N,N-dimethyl-2-(2,4,5-trioxoimidazolidin-1-yl)acetamide N,N-dimethyl-2-(2,4,5-trioxoimid…

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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) -2.13 -3.44 -45.45 0 7 -1 95 198.158 2 ↓
Mid Mid (pH 6-8) -2.59 -0.74 -13.65 1 7 0 92 199.166 2 ↓

Analogs

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Popular Name: methyl 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) -0.81 -2.15 -40.22 0 7 -1 101 199.142 3 ↓
Lo Low (pH 4.5-6) -1.27 0.67 -10.12 1 7 0 98 200.15 3 ↓

Analogs

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Popular Name: methyl 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) -0.81 -2.16 -40.16 0 7 -1 101 199.142 3 ↓
Lo Low (pH 4.5-6) -1.27 0.7 -10.14 1 7 0 98 200.15 3 ↓

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: ethyl ethyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.44 -1.23 -40.05 0 7 -1 101 213.169 4 ↓
Mid Mid (pH 6-8) -0.89 1.62 -9.87 1 7 0 98 214.177 4 ↓

Analogs

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Popular Name: ethyl ethyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.44 -1.23 -40.08 0 7 -1 101 213.169 4 ↓
Mid Mid (pH 6-8) -0.89 1.6 -9.81 1 7 0 98 214.177 4 ↓

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

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Popular Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazolidine-2,4,5-trione 1-(2,3-dihydro-1,4-benzodioxin-6…

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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) -0.04 -1.7 -37.56 0 7 -1 93 247.186 1 ↓
Mid Mid (pH 6-8) -0.50 0.98 -8.5 1 7 0 90 248.194 1 ↓

Analogs

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Popular Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)imidazolidine-2,4,5-trione 1-(3,4-dihydro-2H-1,5-benzodioxe…

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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 -0.92 -36.48 0 7 -1 93 261.213 1 ↓
Mid Mid (pH 6-8) -0.23 1.77 -8.51 1 7 0 90 262.221 1 ↓

Analogs

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Popular Name: 1-[(1R)-2-(diethylamino)-1-methyl-ethyl]imidazolidine-2,4,5-trione 1-[(1R)-2-(diethylamino)-1-methy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.11 0.12 -40.1 1 6 0 79 227.264 5 ↓

Analogs

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Popular Name: 1-[(1S)-2-(diethylamino)-1-methyl-ethyl]imidazolidine-2,4,5-trione 1-[(1S)-2-(diethylamino)-1-methy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.11 0.56 -40.62 1 6 0 79 227.264 5 ↓

Analogs

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Popular Name: 1-(1,3-dioxoisoindolin-5-yl)imidazolidine-2,4,5-trione 1-(1,3-dioxoisoindolin-5-yl)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) -0.06 -4 -33.54 1 8 -1 125 258.169 1 ↓
Hi High (pH 8-9.5) 0.09 -6.62 -82.11 0 8 -2 128 257.161 1 ↓
Lo Low (pH 4.5-6) -0.51 -1.32 -9.93 2 8 0 122 259.177 1 ↓

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

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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

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

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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) 0.71 0.11 -40.87 0 6 -1 88 240.198 1 ↓
Lo Low (pH 4.5-6) 0.25 2.76 -10.69 1 6 0 85 241.206 1 ↓

Analogs

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Popular Name: 1-(8-quinolyl)imidazolidine-2,4,5-trione 1-(8-quinolyl)imidazolidine-2,4,…

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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) 0.40 -0.15 -51.04 0 6 -1 88 240.198 1 ↓
Lo Low (pH 4.5-6) -0.05 2.52 -13.39 1 6 0 85 241.206 1 ↓

Analogs

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Popular Name: 1-[(2R)-2-(diethylamino)-2-phenyl-ethyl]imidazolidine-2,4,5-trione 1-[(2R)-2-(diethylamino)-2-pheny…

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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 1.97 -31.25 1 6 0 79 289.335 6 ↓
Hi High (pH 8-9.5) 1.33 0.23 -38.49 0 6 -1 78 288.327 6 ↓
Mid Mid (pH 6-8) 0.87 4.61 -33.55 2 6 1 76 290.343 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-2-(diethylamino)-2-phenyl-ethyl]imidazolidine-2,4,5-trione 1-[(2S)-2-(diethylamino)-2-pheny…

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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 2.28 -33.44 1 6 0 79 289.335 6 ↓
Hi High (pH 8-9.5) 1.33 0.15 -38.08 0 6 -1 78 288.327 6 ↓
Mid Mid (pH 6-8) 0.87 4.77 -32.29 2 6 1 76 290.343 6 ↓

Analogs

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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

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Popular Name: 4-[(2,4,5-trioxoimidazolidin-1-yl)methyl]benzenesulfonamide 4-[(2,4,5-trioxoimidazolidin-1-y…

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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 -5.24 -41.83 2 8 -1 135 282.257 3 ↓
Mid Mid (pH 6-8) -1.21 -2.58 -14.73 3 8 0 132 283.265 3 ↓

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

Draw Identity 99% 90% 80% 70%

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

Draw Identity 99% 90% 80% 70%

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-(1-benzyl-4-piperidyl)imidazolidine-2,4,5-trione 1-(1-benzyl-4-piperidyl)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) 0.78 2.56 -55 1 6 0 79 287.319 3 ↓
Hi High (pH 8-9.5) 0.32 3.1 -7.34 1 6 0 75 287.319 3 ↓
Hi High (pH 8-9.5) 0.78 0.34 -37.37 0 6 -1 78 286.311 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,2-difluoro-1,3-benzodioxol-5-yl)imidazolidine-2,4,5-trione 1-(2,2-difluoro-1,3-benzodioxol-…

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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) 0.97 -1.76 -30.65 0 7 -1 93 269.139 1 ↓
Mid Mid (pH 6-8) 0.51 0.91 -7.02 1 7 0 90 270.147 1 ↓

Parameters Provided:

ring.id = 76792
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 = 76792 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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