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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

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 ↓

Analogs

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Popular Name: (5R)-5-benzyl-3-(p-tolyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-5H-imidazol-4-one (5R)-5-benzyl-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) 5.86 15.08 -8.51 0 5 0 39 492.545 6 ↓
Mid Mid (pH 6-8) 3.39 16.83 -16.91 1 5 0 49 492.545 6 ↓
Mid Mid (pH 6-8) 3.39 14.66 -38.59 2 5 1 50 493.553 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-benzyl-3-(p-tolyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-5H-imidazol-4-one (5S)-5-benzyl-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) 5.86 15.07 -8.61 0 5 0 39 492.545 6 ↓

Analogs

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Popular Name: (5R)-5-benzyl-3-(m-tolyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-5H-imidazol-4-one (5R)-5-benzyl-3-(m-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) 5.84 15.07 -8.65 0 5 0 39 492.545 6 ↓
Mid Mid (pH 6-8) 3.37 16.83 -17 1 5 0 49 492.545 6 ↓
Mid Mid (pH 6-8) 3.37 14.66 -39.57 2 5 1 50 493.553 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-benzyl-3-(m-tolyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-5H-imidazol-4-one (5S)-5-benzyl-3-(m-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) 5.84 15.07 -8.7 0 5 0 39 492.545 6 ↓

Analogs

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Popular Name: (5R)-2-[4-(4-acetylphenyl)piperazin-1-yl]-5-benzyl-3-(4-methoxyphenyl)-5H-imidazol-4-one (5R)-2-[4-(4-acetylphenyl)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) 4.50 15.18 -17.36 1 7 0 67 483.592 7 ↓
Mid Mid (pH 6-8) 2.03 14.83 -21.13 1 7 0 76 482.584 7 ↓
Mid Mid (pH 6-8) 2.03 12.65 -45.37 2 7 1 77 483.592 7 ↓

Analogs

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Popular Name: (5S)-2-[4-(4-acetylphenyl)piperazin-1-yl]-5-benzyl-3-(4-methoxyphenyl)-5H-imidazol-4-one (5S)-2-[4-(4-acetylphenyl)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) 4.50 13.01 -12.95 0 7 0 65 482.584 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-2-[4-(4-acetylphenyl)piperazin-1-yl]-5-benzyl-3-(2-methoxyphenyl)-5H-imidazol-4-one (5R)-2-[4-(4-acetylphenyl)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) 4.45 15.39 -18.44 1 7 0 67 483.592 7 ↓
Mid Mid (pH 6-8) 1.98 15.01 -24.23 1 7 0 76 482.584 7 ↓
Mid Mid (pH 6-8) 1.98 12.86 -46.41 2 7 1 77 483.592 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-2-[4-(4-acetylphenyl)piperazin-1-yl]-5-benzyl-3-(2-methoxyphenyl)-5H-imidazol-4-one (5S)-2-[4-(4-acetylphenyl)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) 4.45 13.26 -15.48 0 7 0 65 482.584 7 ↓

Analogs

9644125
9644125
9644126
9644126

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Popular Name: (5S)-2-[4-(4-acetylphenyl)piperazin-1-yl]-5-benzyl-3-(3,5-dimethylphenyl)-5H-imidazol-4-one (5S)-2-[4-(4-acetylphenyl)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) 5.27 15.19 -12.71 0 6 0 56 480.612 6 ↓
Mid Mid (pH 6-8) 2.79 16.94 -21.45 1 6 0 66 480.612 6 ↓
Mid Mid (pH 6-8) 2.79 14.77 -47.73 2 6 1 67 481.62 6 ↓

Analogs

9644125
9644125
9644126
9644126

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-2-[4-(4-acetylphenyl)piperazin-1-yl]-5-benzyl-3-(3,5-dimethylphenyl)-5H-imidazol-4-one (5R)-2-[4-(4-acetylphenyl)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) 5.27 15.2 -12.64 0 6 0 56 480.612 6 ↓

Parameters Provided:

ring.id = 90850
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 = 90850 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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