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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: 3-(4-fluorophenyl)-N-[(2S)-2-(4-methyl-1-piperidyl)-2-(2-thienyl)ethyl]-2-thioxo-1H-imidazole-4-carb 3-(4-fluorophenyl)-N-[(2S)-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) 3.51 12.95 -46.86 3 5 1 54 445.609 6 ↓
Mid Mid (pH 6-8) 3.51 10.7 -15.21 2 5 0 53 444.601 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-fluorophenyl)-N-[(2R)-2-(4-methyl-1-piperidyl)-2-(2-thienyl)ethyl]-2-thioxo-1H-imidazole-4-carb 3-(4-fluorophenyl)-N-[(2R)-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) 3.51 12.7 -46.6 3 5 1 54 445.609 6 ↓
Mid Mid (pH 6-8) 3.51 10.46 -14.63 2 5 0 53 444.601 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-(4-methyl-1-piperidyl)-2-(2-thienyl)ethyl]-3-phenyl-2-thioxo-1H-imidazole-4-carboxamide N-[(2S)-2-(4-methyl-1-piperidyl)…

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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) 3.35 12.92 -47.45 3 5 1 54 427.619 6 ↓
Mid Mid (pH 6-8) 3.35 10.66 -16.25 2 5 0 53 426.611 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(4-methyl-1-piperidyl)-2-(2-thienyl)ethyl]-3-phenyl-2-thioxo-1H-imidazole-4-carboxamide N-[(2R)-2-(4-methyl-1-piperidyl)…

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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) 3.35 12.63 -47.05 3 5 1 54 427.619 6 ↓
Mid Mid (pH 6-8) 3.35 10.39 -15.8 2 5 0 53 426.611 6 ↓

Parameters Provided:

ring.id = 102068
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 = 102068 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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