UCSF
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Popular Name: 6-(5-methyl-1H-pyrazol-3-yl)-3-[(4-phenylpiperazin-1-yl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadia 6-(5-methyl-1H-pyrazol-3-yl)-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) 2.06 6.72 -11.87 1 8 0 78 380.481 4 ↓
Lo Low (pH 4.5-6) 2.06 8.91 -44.67 2 8 1 79 381.489 4 ↓

Analogs

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Popular Name: 6-(5-isopropyl-1H-pyrazol-3-yl)-3-[(4-phenylpiperazin-1-yl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thia 6-(5-isopropyl-1H-pyrazol-3-yl)-…

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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) 3.12 8.09 -10.67 1 8 0 78 408.535 5 ↓
Lo Low (pH 4.5-6) 3.12 10.17 -44.5 2 8 1 79 409.543 5 ↓

Parameters Provided:

ring.id = 506741
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 = 506741 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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