UCSF
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Popular Name: N-ethyl-N-[2-(5-methyl-1H-benzimidazol-2-yl)ethyl]-2-[(4S,6R)-6-methyl-2-thioxo-hexahydropyrimidin-4 N-ethyl-N-[2-(5-methyl-1H-benzim…

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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) 3.78 8.27 -28.39 3 6 0 73 373.526 6 ↓
Mid Mid (pH 6-8) 3.78 8.69 -43.51 4 6 1 74 374.534 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-2-[(4S,6R)-6-methyl-2-thioxo-hexahydropyrimidin-4-yl]acet N-[2-(4-methyl-1H-benzimidazol-2…

Find On: PubMed — Wikipedia — Google

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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) 3.14 5.2 -30.47 4 6 0 82 345.472 5 ↓
Mid Mid (pH 6-8) 3.14 5.62 -51.14 5 6 1 83 346.48 5 ↓

Parameters Provided:

ring.id = 401173
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 = 401173 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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