UCSF
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Analogs

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Popular Name: 1-(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea 1-(5-chloro-[1,2,4]triazolo[4,3-…

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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) 2.78 7.49 -17.43 2 8 0 93 345.746 1 ↓
Mid Mid (pH 6-8) 2.23 6.76 -61.7 1 8 -1 96 344.738 3 ↓

Analogs

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Popular Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)urea 1-(2,3-dihydro-1,4-benzodioxin-6…

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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) 2.53 6.72 -16.96 2 9 0 102 355.354 3 ↓
Hi High (pH 8-9.5) 1.98 6.02 -67.47 1 9 -1 105 354.346 5 ↓

Parameters Provided:

ring.id = 386622
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 = 386622 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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