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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: (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

Draw Identity 99% 90% 80% 70%

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-[(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

Draw Identity 99% 90% 80% 70%

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-[…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 ↓

Parameters Provided:

ring.id = 90769
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 = 90769 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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