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

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)-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

Draw Identity 99% 90% 80% 70%

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

Draw Identity 99% 90% 80% 70%

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

Draw Identity 99% 90% 80% 70%

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 ↓

Parameters Provided:

ring.id = 90768
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 = 90768 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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