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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: N-(6-methoxy-3-pyridyl)-2-[4-(1-methyl-2,4-dioxo-3-propyl-5H-pyrrolo[5,4-e]pyrimidin-6-yl)phenoxy]ac N-(6-methoxy-3-pyridyl)-2-[4-(1-…

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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) 3.46 7.11 -23.61 2 10 0 120 463.494 8 ↓
Lo Low (pH 4.5-6) 3.46 7.83 -52.73 3 10 1 122 464.502 8 ↓

Analogs

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Popular Name: 2-[4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[5,4-e]pyrimidin-6-yl)phenoxy]-N-(6-methoxy-3-pyridyl)acetami 2-[4-(2,4-dioxo-1,3-dipropyl-5H-…

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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) 4.34 8.78 -23.63 2 10 0 120 491.548 10 ↓
Lo Low (pH 4.5-6) 4.34 9.5 -53.08 3 10 1 122 492.556 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[5,4-e]pyrimidin-6-yl)phenoxy]-N-(3-pyridyl)acetamide 2-[4-(2,4-dioxo-1,3-dipropyl-5H-…

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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) 3.94 10.31 -22.77 2 9 0 111 461.522 9 ↓
Lo Low (pH 4.5-6) 3.94 10.6 -54.9 3 9 1 112 462.53 9 ↓

Parameters Provided:

ring.id = 224152
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 = 224152 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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