UCSF
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Analogs

4945687
4945687

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Popular Name: 5-[[3-(1,3-benzodioxol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl]methyl]-2-methoxy-phenol 5-[[3-(1,3-benzodioxol-5-yl)-1,4…

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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) 2.63 5.98 -57.77 3 7 1 81 380.424 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[3-(1,3-benzodioxol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-4,6-dimethyl-phen 2-[[3-(1,3-benzodioxol-5-yl)-1,4…

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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) 3.83 7.63 -43.25 3 6 1 72 378.452 3 ↓
Hi High (pH 8-9.5) 3.83 5.32 -9.95 2 6 0 71 377.444 3 ↓

Parameters Provided:

ring.id = 51909
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 = 51909 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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