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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]-3-phenyl-imidazolidin-2-one 1-[2-(4-methylpiperazin-1-yl)-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) 1.04 5.87 -19.11 0 6 0 47 302.378 3 ↓
Mid Mid (pH 6-8) 1.04 8.23 -52.96 1 6 1 48 303.386 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(4-ethylpiperazin-1-yl)-2-oxo-ethyl]-3-phenyl-imidazolidin-2-one 1-[2-(4-ethylpiperazin-1-yl)-2-o…

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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 6.66 -19.03 0 6 0 47 316.405 4 ↓
Mid Mid (pH 6-8) 1.42 8.89 -51.68 1 6 1 48 317.413 4 ↓

Analogs

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Popular Name: 1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-ethyl]-3-phenyl-imidazolidin-2-one 1-[2-[4-(2-hydroxyethyl)piperazi…

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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 3.34 -20.71 1 7 0 67 332.404 5 ↓
Lo Low (pH 4.5-6) 0.41 5.64 -53.91 2 7 1 69 333.412 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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) 1.49 8.04 -22.12 0 8 0 73 360.414 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(4-acetylpiperazin-1-yl)-2-oxo-ethyl]-3-phenyl-imidazolidin-2-one 1-[2-(4-acetylpiperazin-1-yl)-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) 0.40 7.28 -23.21 0 7 0 64 330.388 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl]-3-phenyl-imidazolidin-2-one 1-[2-(4-methylsulfonylpiperazin-…

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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 4.85 -26.28 0 8 0 81 366.443 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]-3-(p-tolyl)imidazolidin-2-one 1-[2-(4-methylpiperazin-1-yl)-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) 1.49 6.53 -18.78 0 6 0 47 316.405 3 ↓
Mid Mid (pH 6-8) 1.49 8.89 -55.17 1 6 1 48 317.413 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(4-ethylpiperazin-1-yl)-2-oxo-ethyl]-3-(p-tolyl)imidazolidin-2-one 1-[2-(4-ethylpiperazin-1-yl)-2-o…

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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) 1.86 7.34 -19.01 0 6 0 47 330.432 4 ↓
Mid Mid (pH 6-8) 1.86 9.57 -51.58 1 6 1 48 331.44 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-ethyl]-3-(p-tolyl)imidazolidin-2-one 1-[2-[4-(2-hydroxyethyl)piperazi…

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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 4.02 -20.69 1 7 0 67 346.431 5 ↓
Lo Low (pH 4.5-6) 0.86 6.32 -53.91 2 7 1 69 347.439 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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) 1.94 8.72 -22.12 0 8 0 73 374.441 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(4-acetylpiperazin-1-yl)-2-oxo-ethyl]-3-(p-tolyl)imidazolidin-2-one 1-[2-(4-acetylpiperazin-1-yl)-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) 0.85 7.9 -23.07 0 7 0 64 344.415 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl]-3-(p-tolyl)imidazolidin-2-one 1-[2-(4-methylsulfonylpiperazin-…

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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 5.55 -27.52 0 8 0 81 380.47 4 ↓

Analogs

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Popular Name: 1-(4-fluorophenyl)-3-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]imidazolidin-2-one 1-(4-fluorophenyl)-3-[2-(4-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) 1.20 5.94 -18.6 0 6 0 47 320.368 3 ↓
Mid Mid (pH 6-8) 1.20 8.3 -53.13 1 6 1 48 321.376 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(4-ethylpiperazin-1-yl)-2-oxo-ethyl]-3-(4-fluorophenyl)imidazolidin-2-one 1-[2-(4-ethylpiperazin-1-yl)-2-o…

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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 6.73 -18.49 0 6 0 47 334.395 4 ↓
Mid Mid (pH 6-8) 1.58 8.96 -51.93 1 6 1 48 335.403 4 ↓

Analogs

6670506
6670506

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Popular Name: 1-(4-fluorophenyl)-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-ethyl]imidazolidin-2-one 1-(4-fluorophenyl)-3-[2-[4-(2-hy…

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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) 0.57 3.41 -20.22 1 7 0 67 350.394 5 ↓
Lo Low (pH 4.5-6) 0.57 5.71 -54.13 2 7 1 69 351.402 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(4-acetylpiperazin-1-yl)-2-oxo-ethyl]-3-(4-fluorophenyl)imidazolidin-2-one 1-[2-(4-acetylpiperazin-1-yl)-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) 0.56 7.34 -22.77 0 7 0 64 348.378 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-fluorophenyl)-3-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl]imidazolidin-2-one 1-(4-fluorophenyl)-3-[2-(4-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) 0.58 4.91 -25.96 0 8 0 81 384.433 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-fluorophenyl)-3-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]imidazolidin-2-one 1-(2-fluorophenyl)-3-[2-(4-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) 1.16 6.22 -19.54 0 6 0 47 320.368 3 ↓
Mid Mid (pH 6-8) 1.16 8.58 -53.5 1 6 1 48 321.376 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(4-ethylpiperazin-1-yl)-2-oxo-ethyl]-3-(2-fluorophenyl)imidazolidin-2-one 1-[2-(4-ethylpiperazin-1-yl)-2-o…

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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 7.02 -19.39 0 6 0 47 334.395 4 ↓
Mid Mid (pH 6-8) 1.53 9.24 -52.24 1 6 1 48 335.403 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-fluorophenyl)-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-ethyl]imidazolidin-2-one 1-(2-fluorophenyl)-3-[2-[4-(2-hy…

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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) 0.52 3.69 -21.3 1 7 0 67 350.394 5 ↓
Lo Low (pH 4.5-6) 0.52 5.99 -54.41 2 7 1 69 351.402 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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) 1.61 8.39 -22.57 0 8 0 73 378.404 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(4-acetylpiperazin-1-yl)-2-oxo-ethyl]-3-(2-fluorophenyl)imidazolidin-2-one 1-[2-(4-acetylpiperazin-1-yl)-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) 0.52 7.63 -23.83 0 7 0 64 348.378 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-fluorophenyl)-3-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl]imidazolidin-2-one 1-(2-fluorophenyl)-3-[2-(4-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) 0.53 5.2 -26.86 0 8 0 81 384.433 4 ↓

Analogs

4874778
4874778

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Popular Name: 1-(3-chlorophenyl)-3-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]imidazolidin-2-one 1-(3-chlorophenyl)-3-[2-(4-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) 1.69 6.39 -16.88 0 6 0 47 336.823 3 ↓
Mid Mid (pH 6-8) 1.69 8.75 -51.74 1 6 1 48 337.831 3 ↓

Analogs

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Popular Name: 1-(3-chlorophenyl)-3-[2-(4-ethylpiperazin-1-yl)-2-oxo-ethyl]imidazolidin-2-one 1-(3-chlorophenyl)-3-[2-(4-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) 2.07 7.19 -16.74 0 6 0 47 350.85 4 ↓
Mid Mid (pH 6-8) 2.07 9.41 -50.54 1 6 1 48 351.858 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-chlorophenyl)-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-ethyl]imidazolidin-2-one 1-(3-chlorophenyl)-3-[2-[4-(2-hy…

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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 3.86 -18.51 1 7 0 67 366.849 5 ↓
Lo Low (pH 4.5-6) 1.06 6.16 -52.57 2 7 1 69 367.857 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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) 2.14 8.57 -19.97 0 8 0 73 394.859 5 ↓

Analogs

4874778
4874778

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Popular Name: 1-[2-(4-acetylpiperazin-1-yl)-2-oxo-ethyl]-3-(3-chlorophenyl)imidazolidin-2-one 1-[2-(4-acetylpiperazin-1-yl)-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) 1.05 7.74 -20.95 0 7 0 64 364.833 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-chlorophenyl)-3-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl]imidazolidin-2-one 1-(3-chlorophenyl)-3-[2-(4-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) 1.07 5.37 -24.28 0 8 0 81 400.888 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-chlorophenyl)-3-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]imidazolidin-2-one 1-(4-chlorophenyl)-3-[2-(4-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) 1.72 6.39 -18.16 0 6 0 47 336.823 3 ↓
Mid Mid (pH 6-8) 1.72 8.75 -52.54 1 6 1 48 337.831 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-chlorophenyl)-3-[2-(4-ethylpiperazin-1-yl)-2-oxo-ethyl]imidazolidin-2-one 1-(4-chlorophenyl)-3-[2-(4-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) 2.09 7.18 -17.98 0 6 0 47 350.85 4 ↓
Mid Mid (pH 6-8) 2.09 9.41 -51.35 1 6 1 48 351.858 4 ↓

Analogs

4913969
4913969
4573397
4573397

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Popular Name: 1-(4-chlorophenyl)-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-ethyl]imidazolidin-2-one 1-(4-chlorophenyl)-3-[2-[4-(2-hy…

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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 3.86 -19.7 1 7 0 67 366.849 5 ↓
Lo Low (pH 4.5-6) 1.09 6.16 -53.64 2 7 1 69 367.857 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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) 2.17 8.57 -21.29 0 8 0 73 394.859 5 ↓

Analogs

4929928
4929928

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Popular Name: 1-[2-(4-acetylpiperazin-1-yl)-2-oxo-ethyl]-3-(4-chlorophenyl)imidazolidin-2-one 1-[2-(4-acetylpiperazin-1-yl)-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) 1.08 7.8 -22.33 0 7 0 64 364.833 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-chlorophenyl)-3-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl]imidazolidin-2-one 1-(4-chlorophenyl)-3-[2-(4-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) 1.09 5.37 -25.39 0 8 0 81 400.888 4 ↓

Analogs

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Popular Name: 1-(3,4-difluorophenyl)-3-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]imidazolidin-2-one 1-(3,4-difluorophenyl)-3-[2-(4-m…

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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 5.99 -16.99 0 6 0 47 338.358 3 ↓
Mid Mid (pH 6-8) 1.29 8.35 -52.89 1 6 1 48 339.366 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,4-difluorophenyl)-3-[2-(4-ethylpiperazin-1-yl)-2-oxo-ethyl]imidazolidin-2-one 1-(3,4-difluorophenyl)-3-[2-(4-e…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.67 6.78 -16.89 0 6 0 47 352.385 4 ↓
Mid Mid (pH 6-8) 1.67 9.01 -51.74 1 6 1 48 353.393 4 ↓

Analogs

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Popular Name: 1-(3,4-difluorophenyl)-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-ethyl]imidazolidin-2-one 1-(3,4-difluorophenyl)-3-[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) 0.66 3.46 -18.72 1 7 0 67 368.384 5 ↓
Lo Low (pH 4.5-6) 0.66 5.76 -53.73 2 7 1 69 369.392 5 ↓

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) 1.74 8.17 -20.39 0 8 0 73 396.394 5 ↓

Analogs

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Popular Name: 1-[2-(4-acetylpiperazin-1-yl)-2-oxo-ethyl]-3-(3,4-difluorophenyl)imidazolidin-2-one 1-[2-(4-acetylpiperazin-1-yl)-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) 0.66 7.34 -21.32 0 7 0 64 366.368 3 ↓

Analogs

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Popular Name: 1-(3,4-difluorophenyl)-3-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl]imidazolidin-2-one 1-(3,4-difluorophenyl)-3-[2-(4-m…

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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 4.97 -24.74 0 8 0 81 402.423 4 ↓

Analogs

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Popular Name: 1-(4-methoxyphenyl)-3-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]imidazolidin-2-one 1-(4-methoxyphenyl)-3-[2-(4-meth…

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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) 1.10 5.16 -20.28 0 7 0 56 332.404 4 ↓
Mid Mid (pH 6-8) 1.10 7.52 -54.04 1 7 1 58 333.412 4 ↓

Analogs

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Popular Name: 1-[2-(4-ethylpiperazin-1-yl)-2-oxo-ethyl]-3-(4-methoxyphenyl)imidazolidin-2-one 1-[2-(4-ethylpiperazin-1-yl)-2-o…

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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 5.96 -20.17 0 7 0 56 346.431 5 ↓
Mid Mid (pH 6-8) 1.47 8.18 -52.8 1 7 1 58 347.439 5 ↓

Analogs

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Popular Name: 1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-ethyl]-3-(4-methoxyphenyl)imidazolidin-2-one 1-[2-[4-(2-hydroxyethyl)piperazi…

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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) 0.46 2.63 -21.05 1 8 0 77 362.43 6 ↓
Lo Low (pH 4.5-6) 0.46 4.94 -54.6 2 8 1 78 363.438 6 ↓

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) 1.55 7.34 -23.41 0 9 0 83 390.44 6 ↓

Analogs

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Popular Name: 1-[2-(4-acetylpiperazin-1-yl)-2-oxo-ethyl]-3-(4-methoxyphenyl)imidazolidin-2-one 1-[2-(4-acetylpiperazin-1-yl)-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) 0.46 6.57 -24.37 0 8 0 73 360.414 4 ↓

Analogs

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Popular Name: 1-(4-methoxyphenyl)-3-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl]imidazolidin-2-one 1-(4-methoxyphenyl)-3-[2-(4-meth…

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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) 0.47 4.17 -27.88 0 9 0 90 396.469 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-methoxyphenyl)-3-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]imidazolidin-2-one 1-(2-methoxyphenyl)-3-[2-(4-meth…

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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) 1.05 5.52 -20.44 0 7 0 56 332.404 4 ↓
Mid Mid (pH 6-8) 1.05 7.87 -54.02 1 7 1 58 333.412 4 ↓

Analogs

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Popular Name: 1-[2-(4-ethylpiperazin-1-yl)-2-oxo-ethyl]-3-(2-methoxyphenyl)imidazolidin-2-one 1-[2-(4-ethylpiperazin-1-yl)-2-o…

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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 6.31 -20.31 0 7 0 56 346.431 5 ↓
Mid Mid (pH 6-8) 1.42 8.53 -52.76 1 7 1 58 347.439 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-ethyl]-3-(2-methoxyphenyl)imidazolidin-2-one 1-[2-[4-(2-hydroxyethyl)piperazi…

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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) 0.42 2.98 -22.14 1 8 0 77 362.43 6 ↓
Lo Low (pH 4.5-6) 0.42 5.29 -54.89 2 8 1 78 363.438 6 ↓

Parameters Provided:

ring.id = 558312
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 = 558312 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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