UCSF
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Popular Name: 5-(pyrimidin-4-ylmethylamino)-2,3-dihydrophthalazine-1,4-dione 5-(pyrimidin-4-ylmethylamino)-2,…

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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) 0.61 -0.34 -48.12 2 7 -1 107 268.256 3 ↓
Lo Low (pH 4.5-6) 0.61 -1.06 -12.67 3 7 0 104 269.264 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2-methylpyrimidin-4-yl)methylamino]-2,3-dihydrophthalazine-1,4-dione 5-[(2-methylpyrimidin-4-yl)methy…

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) 0.70 -0.37 -48.52 2 7 -1 107 282.283 3 ↓
Lo Low (pH 4.5-6) 0.70 -1.1 -12.98 3 7 0 104 283.291 3 ↓

Parameters Provided:

ring.id = 154409
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 = 154409 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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