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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-ylmethyl)-3H-quinazolin-4-one 2-(6,8-dihydro-5H-pyrido[3,4-d]p…

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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) 0.63 5.22 -14.57 1 6 0 75 293.33 2 ↓
Lo Low (pH 4.5-6) 0.63 7.45 -57.88 2 6 1 76 294.338 2 ↓

Analogs

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Popular Name: 6-chloro-2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-ylmethyl)-3H-quinazolin-4-one 6-chloro-2-(6,8-dihydro-5H-pyrid…

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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) 1.28 5.73 -13.73 1 6 0 75 327.775 2 ↓
Lo Low (pH 4.5-6) 1.28 7.96 -60.66 2 6 1 76 328.783 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-ylmethyl)-4-oxo-quinazolin-3-yl]acetonitrile 2-[2-(6,8-dihydro-5H-pyrido[3,4-…

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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) 0.48 7.51 -18.76 0 7 0 88 332.367 3 ↓
Lo Low (pH 4.5-6) 0.48 9.76 -64.73 1 7 1 89 333.375 3 ↓

Parameters Provided:

ring.id = 377924
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 = 377924 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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