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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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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: (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-2-(4-benzylpiperazin-1-yl)-3-(4-chlorophenyl)-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) 4.92 15.03 -8.42 1 5 0 41 460.001 6 ↓
Mid Mid (pH 6-8) 2.45 15.93 -13.89 1 5 0 49 458.993 6 ↓
Mid Mid (pH 6-8) 2.45 18.19 -63.68 2 5 1 50 460.001 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-benzyl-2-(4-benzylpiperazin-1-yl)-3-(4-chlorophenyl)-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) 4.92 14 -6.3 0 5 0 39 458.993 6 ↓

Analogs

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Popular Name: (5R)-5-benzyl-2-(4-benzylpiperazin-1-yl)-3-(p-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) 4.69 14.28 -7.45 0 5 0 39 438.575 6 ↓
Mid Mid (pH 6-8) 2.22 16.07 -15.33 1 5 0 49 438.575 6 ↓
Mid Mid (pH 6-8) 2.22 18.33 -63.63 2 5 1 50 439.583 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-benzyl-2-(4-benzylpiperazin-1-yl)-3-(p-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) 4.69 14.15 -7.4 0 5 0 39 438.575 6 ↓

Analogs

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Popular Name: (5R)-5-benzyl-2-(4-benzylpiperazin-1-yl)-3-(3,4-dimethylphenyl)-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) 5.07 14.78 -7.58 0 5 0 39 452.602 6 ↓
Mid Mid (pH 6-8) 2.60 16.56 -15.27 1 5 0 49 452.602 6 ↓
Mid Mid (pH 6-8) 2.60 18.87 -63.77 2 5 1 50 453.61 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-benzyl-2-(4-benzylpiperazin-1-yl)-3-(3,4-dimethylphenyl)-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) 5.07 15.73 -10.01 1 5 0 41 453.61 6 ↓
Lo Low (pH 4.5-6) 5.07 17.96 -59.72 2 5 0 42 454.618 6 ↓

Analogs

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Popular Name: (5R)-5-benzyl-2-(4-benzylpiperazin-1-yl)-3-(2,4-dimethylphenyl)-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) 5.07 16.3 -10.46 1 5 0 41 453.61 6 ↓
Mid Mid (pH 6-8) 2.60 16.82 -16.1 1 5 0 49 452.602 6 ↓
Mid Mid (pH 6-8) 2.60 19.16 -64.68 2 5 1 50 453.61 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-benzyl-2-(4-benzylpiperazin-1-yl)-3-(2,4-dimethylphenyl)-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) 5.07 15.26 -7.8 0 5 0 39 452.602 6 ↓

Analogs

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Popular Name: (5R)-5-benzyl-2-(4-benzylpiperazin-1-yl)-3-(m-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) 4.67 14.12 -7.39 0 5 0 39 438.575 6 ↓
Mid Mid (pH 6-8) 2.20 15.88 -15.1 1 5 0 49 438.575 6 ↓
Mid Mid (pH 6-8) 2.20 18.21 -63.72 2 5 1 50 439.583 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-benzyl-2-(4-benzylpiperazin-1-yl)-3-(m-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) 4.67 14.07 -7.55 0 5 0 39 438.575 6 ↓
Mid Mid (pH 6-8) 4.67 16.38 -47.11 1 5 1 40 439.583 6 ↓

Analogs

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Popular Name: (5R)-5-benzyl-2-(4-benzylpiperazin-1-yl)-3-(3-ethylphenyl)-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) 5.13 15.94 -9.87 1 5 0 41 453.61 7 ↓
Mid Mid (pH 6-8) 2.66 16.63 -15.15 1 5 0 49 452.602 7 ↓
Mid Mid (pH 6-8) 2.66 18.95 -64.04 2 5 1 50 453.61 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-benzyl-2-(4-benzylpiperazin-1-yl)-3-(3-ethylphenyl)-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) 5.14 14.83 -7.52 0 5 0 39 452.602 7 ↓

Analogs

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Popular Name: (5R)-5-benzyl-2-(4-benzylpiperazin-1-yl)-3-(2-methoxyphenyl)-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) 4.25 14 -12.75 1 6 0 50 455.582 7 ↓
Mid Mid (pH 6-8) 1.78 14.9 -18.5 1 6 0 58 454.574 7 ↓
Mid Mid (pH 6-8) 1.78 17.17 -65.78 2 6 1 60 455.582 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-benzyl-2-(4-benzylpiperazin-1-yl)-3-(2-methoxyphenyl)-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) 4.25 12.91 -10.27 0 6 0 48 454.574 7 ↓

Analogs

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Popular Name: (5R)-5-benzyl-2-(4-benzylpiperazin-1-yl)-3-(3,5-dimethylphenyl)-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) 5.07 15.84 -10.11 1 5 0 41 453.61 6 ↓
Mid Mid (pH 6-8) 2.60 16.71 -15.56 1 5 0 49 452.602 6 ↓
Mid Mid (pH 6-8) 2.60 18.98 -63.85 2 5 1 50 453.61 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-benzyl-2-(4-benzylpiperazin-1-yl)-3-(3,5-dimethylphenyl)-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) 5.07 14.77 -7.46 0 5 0 39 452.602 6 ↓

Parameters Provided:

ring.id = 90829
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 = 90829 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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