UCSF
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Analogs

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Popular Name: 1-[(5-fluoro-1H-benzimidazol-2-yl)methyl]-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea 1-[(5-fluoro-1H-benzimidazol-2-y…

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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) 1.19 2.63 -11.58 3 7 0 96 306.326 3 ↓
Lo Low (pH 4.5-6) 1.19 3.43 -44.51 4 7 1 97 307.334 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(1H-benzimidazol-2-ylmethyl)-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea 1-(1H-benzimidazol-2-ylmethyl)-3…

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) 1.05 2.56 -12.28 3 7 0 96 288.336 3 ↓
Lo Low (pH 4.5-6) 1.05 3.41 -40.47 4 7 1 97 289.344 3 ↓

Parameters Provided:

ring.id = 398305
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 = 398305 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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