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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 7-(2-chloro-5-methyl-benzoyl)-2-(2-pyridyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one 7-(2-chloro-5-methyl-benzoyl)-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) 2.27 7.92 -17.63 1 6 0 79 380.835 2 ↓
Mid Mid (pH 6-8) 2.73 5.93 -56.36 0 6 -1 82 379.827 2 ↓

Analogs

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Popular Name: 7-(2-propoxybenzoyl)-2-(2-pyridyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one 7-(2-propoxybenzoyl)-2-(2-pyridy…

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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) 2.66 8.25 -19.52 1 7 0 88 390.443 5 ↓
Mid Mid (pH 6-8) 3.11 6.25 -59.64 0 7 -1 91 389.435 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-oxo-2-(2-pyridyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carbonyl]benzonitrile 2-[4-oxo-2-(2-pyridyl)-3,5,6,8-t…

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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) 0.93 7.04 -25.34 1 7 0 103 357.373 2 ↓
Mid Mid (pH 6-8) 1.38 5.04 -63.38 0 7 -1 106 356.365 2 ↓

Parameters Provided:

ring.id = 33291
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 = 33291 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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