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Analogs

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Popular Name: 3-(1-benzyl-2,5-dioxo-imidazolidin-4-yl)-N-(2-methoxy-5-methyl-phenyl)-propanamide 3-(1-benzyl-2,5-dioxo-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) 2.34 6.85 -16.87 2 7 0 88 381.432 7 ↓
Ref Reference (pH 7) 1.97 3.58 -14.66 2 7 0 91 381.432 7 ↓

Analogs

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Popular Name: 4-amino-N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-benzenesulfonamide 4-amino-N-[1-cyclohexyl-2,5-diox…

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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 -0.03 -36.66 3 8 -1 128 419.405 5 ↓
Mid Mid (pH 6-8) 1.45 -2.15 -50.96 3 8 -1 127 419.405 5 ↓
Mid Mid (pH 6-8) 1.82 1.4 -9.76 4 8 0 122 420.413 5 ↓

Analogs

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Popular Name: N-(9-ethylcarbazol-3-yl)-3-[1-(2-furylmethyl)-2,5-dioxo-imidazolidin-4-yl]-propanamide N-(9-ethylcarbazol-3-yl)-3-[1-(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) 2.74 6.33 -22.7 2 8 0 100 444.491 7 ↓
Ref Reference (pH 7) 3.11 9.6 -24.97 2 8 0 97 444.491 7 ↓

Analogs

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Popular Name: 3-[2,5-dioxo-1-(1-phenylethyl)imidazolidin-4-yl]-N-(4-pyridylmethyl)propanamide 3-[2,5-dioxo-1-(1-phenylethyl)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) 0.50 2.59 -14.15 2 7 0 95 366.421 7 ↓
Ref Reference (pH 7) 0.88 5.78 -17.87 2 7 0 91 366.421 7 ↓
Lo Low (pH 4.5-6) 0.50 3.05 -46.66 3 7 1 96 367.429 7 ↓

Analogs

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Popular Name: 3-[1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2,5-dioxo-imidazolidin-4-yl]-N-(4-pyridylmethyl)propanamide 3-[1-[2-(5-fluoro-1H-indol-3-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) -0.33 2.69 -16.64 3 8 0 111 423.448 8 ↓
Ref Reference (pH 7) 0.04 5.97 -21.96 3 8 0 107 423.448 8 ↓
Lo Low (pH 4.5-6) -0.33 3.14 -49.07 4 8 1 112 424.456 8 ↓

Analogs

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Popular Name: 3-[(4S)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxo-imidazolidin-4-yl]-N-[3-(2-oxopyrrolidin-1-yl)propy 3-[(4S)-1-(1,3-benzodioxol-5-ylm…

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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) -0.25 1.06 -21.85 2 10 0 121 430.461 9 ↓
Ref Reference (pH 7) 0.12 4.35 -25.21 2 10 0 117 430.461 9 ↓

Analogs

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Popular Name: N-(3-acetamidophenyl)-2-[(4S)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxo-imidazolidin-4-yl]acetamide N-(3-acetamidophenyl)-2-[(4S)-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) 1.57 0.36 -19.57 3 10 0 130 424.413 6 ↓
Ref Reference (pH 7) 1.94 3.6 -18.8 3 10 0 126 424.413 6 ↓

Analogs

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Popular Name: 2-[(4S)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxo-imidazolidin-4-yl]-N-(3-hydroxyphenyl)acetamide 2-[(4S)-1-(1,3-benzodioxol-5-ylm…

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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) 1.87 -1.41 -14.9 3 9 0 121 383.36 5 ↓
Ref Reference (pH 7) 2.25 1.84 -16.27 3 9 0 117 383.36 5 ↓

Analogs

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Popular Name: 2-[(4S)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxo-imidazolidin-4-yl]-N-[(2,4-dichlorophenyl)methyl]ac 2-[(4S)-1-(1,3-benzodioxol-5-ylm…

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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) 3.36 2.44 -13.83 2 8 0 100 450.278 6 ↓
Ref Reference (pH 7) 3.73 5.71 -13.62 2 8 0 97 450.278 6 ↓

Analogs

12429052
12429052

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Popular Name: 4-[[(4R)-1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]benzoic 4-[[(4R)-1-cyclohexyl-2,5-dioxo-…

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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 2.66 -100 1 9 -2 142 447.391 6 ↓
Hi High (pH 8-9.5) 2.65 3.65 -88.32 1 9 -2 138 447.391 6 ↓
Mid Mid (pH 6-8) 2.28 1.84 -44.93 2 9 -1 139 448.399 6 ↓

Analogs

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Popular Name: (5S)-2-diethylamino-3-(3,4-dimethoxyphenyl)-5-isobutyl-5H-imidazol-4-one (5S)-2-diethylamino-3-(3,4-dimet…

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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) 3.20 9.82 -8.87 0 6 0 54 347.459 8 ↓
Mid Mid (pH 6-8) 0.22 11.6 -18.57 1 6 0 64 347.459 8 ↓
Mid Mid (pH 6-8) 0.22 9.51 -39.29 2 6 1 66 348.467 8 ↓

Analogs

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Popular Name: (5R)-2-diethylamino-3-(3,4-dimethoxyphenyl)-5-isobutyl-5H-imidazol-4-one (5R)-2-diethylamino-3-(3,4-dimet…

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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) 3.20 9.88 -8.84 0 6 0 54 347.459 8 ↓

Analogs

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Popular Name: (5S)-3-(4-chlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-5-methyl-5H-imidazol-4-one (5S)-3-(4-chlorophenyl)-2-[4-(fu…

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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) 2.35 9 -10.87 0 7 0 69 386.839 3 ↓
Mid Mid (pH 6-8) -0.64 10.82 -21.03 1 7 0 79 386.839 3 ↓

Analogs

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Popular Name: (5R)-3-(4-chlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-5-methyl-5H-imidazol-4-one (5R)-3-(4-chlorophenyl)-2-[4-(fu…

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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) 2.35 8.94 -10.72 0 7 0 69 386.839 3 ↓

Analogs

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Popular Name: (5S)-5-methyl-2-(4-phenylpiperazin-1-yl)-3-(p-tolyl)-5H-imidazol-4-one (5S)-5-methyl-2-(4-phenylpiperaz…

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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) 3.53 10.22 -7.5 0 5 0 39 348.45 3 ↓
Mid Mid (pH 6-8) 0.54 12.04 -16.72 1 5 0 49 348.45 3 ↓
Mid Mid (pH 6-8) 0.54 9.82 -39.92 2 5 1 50 349.458 3 ↓

Analogs

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Popular Name: (5R)-5-methyl-2-(4-phenylpiperazin-1-yl)-3-(p-tolyl)-5H-imidazol-4-one (5R)-5-methyl-2-(4-phenylpiperaz…

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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) 3.53 10.21 -7.49 0 5 0 39 348.45 3 ↓

Analogs

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Popular Name: (5S)-2-(4-benzylpiperazin-1-yl)-5-methyl-3-(p-tolyl)-5H-imidazol-4-one (5S)-2-(4-benzylpiperazin-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) 3.23 10.44 -7.31 0 5 0 39 362.477 4 ↓
Mid Mid (pH 6-8) 0.24 12.28 -16.73 1 5 0 49 362.477 4 ↓
Mid Mid (pH 6-8) 0.24 14.56 -64.08 2 5 1 50 363.485 4 ↓

Analogs

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Popular Name: (5R)-2-(4-benzylpiperazin-1-yl)-5-methyl-3-(p-tolyl)-5H-imidazol-4-one (5R)-2-(4-benzylpiperazin-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) 3.23 10.46 -7.24 0 5 0 39 362.477 4 ↓
Mid Mid (pH 6-8) 3.23 12.73 -45.74 1 5 1 40 363.485 4 ↓

Analogs

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Popular Name: (5S)-5-methyl-3-(p-tolyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-5H-imidazol-4-one (5S)-5-methyl-3-(p-tolyl)-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) 4.40 11.19 -8.34 0 5 0 39 416.447 4 ↓
Mid Mid (pH 6-8) 1.41 12.99 -19.24 1 5 0 49 416.447 4 ↓
Mid Mid (pH 6-8) 1.41 10.78 -41.73 2 5 1 50 417.455 4 ↓

Analogs

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Popular Name: (5R)-5-methyl-3-(p-tolyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-5H-imidazol-4-one (5R)-5-methyl-3-(p-tolyl)-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) 4.40 11.21 -8.32 0 5 0 39 416.447 4 ↓

Analogs

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Popular Name: (5S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-5-methyl-3-(p-tolyl)-5H-imidazol-4-one (5S)-2-[4-(4-fluorophenyl)pipera…

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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) 3.69 10.27 -8.32 0 5 0 39 366.44 3 ↓
Mid Mid (pH 6-8) 0.70 12.09 -18.15 1 5 0 49 366.44 3 ↓
Mid Mid (pH 6-8) 0.70 9.87 -43.73 2 5 1 50 367.448 3 ↓

Analogs

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Popular Name: (5R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-5-methyl-3-(p-tolyl)-5H-imidazol-4-one (5R)-2-[4-(4-fluorophenyl)pipera…

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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) 3.69 10.27 -8.34 0 5 0 39 366.44 3 ↓

Analogs

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Popular Name: (5S)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-5-methyl-3-(p-tolyl)-5H-imidazol-4-one (5S)-2-[4-(4-methoxyphenyl)piper…

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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) 3.59 9.5 -8.95 0 6 0 48 378.476 4 ↓
Mid Mid (pH 6-8) 0.60 11.32 -18.72 1 6 0 58 378.476 4 ↓
Mid Mid (pH 6-8) 0.60 9.09 -39.46 2 6 1 60 379.484 4 ↓

Analogs

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Popular Name: (5R)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-5-methyl-3-(p-tolyl)-5H-imidazol-4-one (5R)-2-[4-(4-methoxyphenyl)piper…

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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) 3.59 9.5 -8.82 0 6 0 48 378.476 4 ↓

Analogs

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Popular Name: (5S)-5-methyl-3-(p-tolyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]-5H-imidazol-4-one (5S)-5-methyl-3-(p-tolyl)-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) 3.06 10.94 -11.32 0 8 0 67 452.555 7 ↓
Mid Mid (pH 6-8) 0.07 12.74 -21.14 1 8 0 77 452.555 7 ↓
Mid Mid (pH 6-8) 0.07 14.09 -64.38 2 8 1 78 453.563 7 ↓

Analogs

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Popular Name: (5R)-5-methyl-3-(p-tolyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]-5H-imidazol-4-one (5R)-5-methyl-3-(p-tolyl)-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) 3.06 10.59 -15.53 1 8 0 68 453.563 7 ↓
Lo Low (pH 4.5-6) 3.06 12.82 -60.27 2 8 0 70 454.571 7 ↓

Analogs

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Popular Name: (5S)-2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-5-methyl-3-(p-tolyl)-5H-imidazol-4-one (5S)-2-[4-[2-(4-chlorophenoxy)et…

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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) 4.19 10.8 -8.59 0 6 0 48 426.948 6 ↓
Mid Mid (pH 6-8) 1.20 10.4 -40.6 2 6 1 60 427.956 6 ↓
Mid Mid (pH 6-8) 1.20 12.61 -18.1 1 6 0 58 426.948 6 ↓

Analogs

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Popular Name: (5R)-2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-5-methyl-3-(p-tolyl)-5H-imidazol-4-one (5R)-2-[4-[2-(4-chlorophenoxy)et…

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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) 4.19 10.77 -8.6 0 6 0 48 426.948 6 ↓

Analogs

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Popular Name: (5S)-2-[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-1-yl]-5-methyl-3-(p-tolyl)-5H-imidazol-4-one (5S)-2-[4-[2-(2,5-dimethylpyrrol…

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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) 2.88 11.44 -9.57 0 6 0 44 393.535 5 ↓
Mid Mid (pH 6-8) -0.11 11.04 -43.02 2 6 1 55 394.543 5 ↓
Mid Mid (pH 6-8) -0.11 13.26 -19.31 1 6 0 54 393.535 5 ↓

Analogs

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Popular Name: (5R)-2-[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-1-yl]-5-methyl-3-(p-tolyl)-5H-imidazol-4-one (5R)-2-[4-[2-(2,5-dimethylpyrrol…

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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) 2.88 11.29 -9.55 0 6 0 44 393.535 5 ↓

Analogs

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Popular Name: (5S)-2-(2-furylmethyl-(3-morpholinopropyl)amino)-5-methyl-3-(p-tolyl)-5H-imidazol-4-one (5S)-2-(2-furylmethyl-(3-morphol…

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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) 2.74 9.55 -9.75 0 7 0 62 410.518 8 ↓
Mid Mid (pH 6-8) -0.25 11.35 -19.99 1 7 0 72 410.518 8 ↓
Mid Mid (pH 6-8) -0.25 13.68 -59.62 2 7 1 73 411.526 8 ↓

Analogs

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Popular Name: (5R)-2-(2-furylmethyl-(3-morpholinopropyl)amino)-5-methyl-3-(p-tolyl)-5H-imidazol-4-one (5R)-2-(2-furylmethyl-(3-morphol…

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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) 2.74 9.54 -10.86 0 7 0 62 410.518 8 ↓

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) 3.54 13.83 -9.58 0 6 0 62 393.487 9 ↓
Mid Mid (pH 6-8) 0.55 15.65 -20.82 1 6 0 72 393.487 9 ↓

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) 3.54 13.84 -8.86 0 6 0 62 393.487 9 ↓

Analogs

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Popular Name: (5R)-5-benzyl-3-cyclohexyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5H-imidazol-4-one (5R)-5-benzyl-3-cyclohexyl-2-(3,…

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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) 4.55 14.5 -7.55 0 4 0 36 387.527 4 ↓
Mid Mid (pH 6-8) 2.08 16.29 -15.69 1 4 0 46 387.527 4 ↓

Analogs

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Popular Name: (5S)-5-benzyl-3-cyclohexyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5H-imidazol-4-one (5S)-5-benzyl-3-cyclohexyl-2-(3,…

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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) 4.55 14.54 -7.72 0 4 0 36 387.527 4 ↓

Analogs

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Popular Name: (5R)-5-benzyl-2-(4-benzyl-1-piperidyl)-3-cyclohexyl-5H-imidazol-4-one (5R)-5-benzyl-2-(4-benzyl-1-pipe…

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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) 5.74 16.52 -7.8 0 4 0 36 429.608 6 ↓
Mid Mid (pH 6-8) 3.27 18.35 -16.02 1 4 0 46 429.608 6 ↓
Mid Mid (pH 6-8) 5.74 17.46 -32.19 1 4 1 38 430.616 6 ↓

Analogs

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Popular Name: (5S)-5-benzyl-2-(4-benzyl-1-piperidyl)-3-cyclohexyl-5H-imidazol-4-one (5S)-5-benzyl-2-(4-benzyl-1-pipe…

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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) 5.74 16.51 -7.23 0 4 0 36 429.608 6 ↓
Mid Mid (pH 6-8) 5.74 17.46 -31.88 1 4 1 38 430.616 6 ↓

Analogs

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Popular Name: (5S)-5-benzyl-2-(butyl-methyl-amino)-3-cyclohexyl-5H-imidazol-4-one (5S)-5-benzyl-2-(butyl-methyl-am…

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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) 4.60 12.9 -7.18 0 4 0 36 341.499 7 ↓
Mid Mid (pH 6-8) 2.13 14.65 -15.24 1 4 0 46 341.499 7 ↓

Analogs

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Popular Name: (5R)-5-benzyl-2-(butyl-methyl-amino)-3-cyclohexyl-5H-imidazol-4-one (5R)-5-benzyl-2-(butyl-methyl-am…

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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) 4.60 12.84 -7.19 0 4 0 36 341.499 7 ↓

Analogs

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Popular Name: (5S)-5-benzyl-3-cyclohexyl-2-diethylamino-5H-imidazol-4-one (5S)-5-benzyl-3-cyclohexyl-2-die…

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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) 3.91 12.5 -6.43 0 4 0 36 327.472 6 ↓
Mid Mid (pH 6-8) 1.44 14.33 -13.58 1 4 0 46 327.472 6 ↓

Analogs

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Popular Name: (5R)-5-benzyl-3-cyclohexyl-2-diethylamino-5H-imidazol-4-one (5R)-5-benzyl-3-cyclohexyl-2-die…

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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) 3.91 12.49 -6.44 0 4 0 36 327.472 6 ↓

Analogs

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Popular Name: (5R)-5-benzyl-2-(4-benzylpiperazin-1-yl)-3-(4-chloro-2-methyl-phenyl)-5H-imidazol-4-one (5R)-5-benzyl-2-(4-benzylpiperaz…

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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) 5.30 14.9 -6.59 0 5 0 39 473.02 6 ↓
Mid Mid (pH 6-8) 2.83 16.67 -14.72 1 5 0 49 473.02 6 ↓
Mid Mid (pH 6-8) 2.83 19.01 -65.05 2 5 1 50 474.028 6 ↓

Analogs

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Popular Name: (5S)-5-benzyl-2-(4-benzylpiperazin-1-yl)-3-(4-chloro-2-methyl-phenyl)-5H-imidazol-4-one (5S)-5-benzyl-2-(4-benzylpiperaz…

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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) 5.30 15.12 -6.75 0 5 0 39 473.02 6 ↓

Analogs

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Popular Name: (5S)-5-benzyl-2-(benzyl-(2-dimethylaminoethyl)amino)-3-(o-tolyl)-5H-imidazol-4-one (5S)-5-benzyl-2-(benzyl-(2-dimet…

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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) 4.78 18.14 -100.84 2 5 2 42 442.607 9 ↓
Hi High (pH 8-9.5) 4.78 15.81 -30.96 1 5 1 41 441.599 9 ↓
Hi High (pH 8-9.5) 4.78 14.58 -7.92 0 5 0 39 440.591 9 ↓

Analogs

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Popular Name: (5R)-5-benzyl-2-(benzyl-(2-dimethylaminoethyl)amino)-3-(o-tolyl)-5H-imidazol-4-one (5R)-5-benzyl-2-(benzyl-(2-dimet…

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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) 4.78 18.15 -107.22 2 5 2 42 442.607 9 ↓
Hi High (pH 8-9.5) 4.78 15.8 -31.22 1 5 1 41 441.599 9 ↓
Hi High (pH 8-9.5) 4.78 14.73 -8 0 5 0 39 440.591 9 ↓

Analogs

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Popular Name: (5R)-5-benzyl-2-(4-benzylpiperazin-1-yl)-3-(o-tolyl)-5H-imidazol-4-one (5R)-5-benzyl-2-(4-benzylpiperaz…

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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 14.62 -7.93 0 5 0 39 438.575 6 ↓
Mid Mid (pH 6-8) 2.17 16.39 -15.76 1 5 0 49 438.575 6 ↓
Mid Mid (pH 6-8) 2.17 18.65 -63.99 2 5 1 50 439.583 6 ↓

Analogs

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Popular Name: (5S)-5-benzyl-2-(4-benzylpiperazin-1-yl)-3-(o-tolyl)-5H-imidazol-4-one (5S)-5-benzyl-2-(4-benzylpiperaz…

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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 14.39 -7.71 0 5 0 39 438.575 6 ↓

Analogs

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Popular Name: (5R)-5-benzyl-3-(o-tolyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-5H-imidazol-4-one (5R)-5-benzyl-3-(o-tolyl)-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) 5.82 15.33 -9.03 0 5 0 39 492.545 6 ↓
Mid Mid (pH 6-8) 3.34 17.11 -18.7 1 5 0 49 492.545 6 ↓
Mid Mid (pH 6-8) 3.34 15.04 -44.97 2 5 1 50 493.553 6 ↓

Analogs

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Popular Name: (5S)-5-benzyl-3-(o-tolyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-5H-imidazol-4-one (5S)-5-benzyl-3-(o-tolyl)-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) 5.82 15.38 -9.13 0 5 0 39 492.545 6 ↓

Parameters Provided:

ring.id = 6733
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 6733 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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