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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: 5-(3-imidazol-1-ylpropylamino)-1,3,6-trimethyl-pyrido[3,2-e]pyrimidine-2,4-dione 5-(3-imidazol-1-ylpropylamino)-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) 0.03 7.94 -14.49 1 8 0 87 328.376 5 ↓
Mid Mid (pH 6-8) 0.03 8.42 -42.79 2 8 1 88 329.384 5 ↓

Analogs

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Popular Name: 6-ethyl-5-(3-imidazol-1-ylpropylamino)-1,3-dimethyl-pyrido[3,2-e]pyrimidine-2,4-dione 6-ethyl-5-(3-imidazol-1-ylpropyl…

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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) 0.50 8.95 -12.96 1 8 0 87 342.403 6 ↓
Mid Mid (pH 6-8) 0.50 9.43 -40.45 2 8 1 88 343.411 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(3-imidazol-1-ylpropylamino)-1,3-dimethyl-pyrido[3,2-e]pyrimidine-2,4-dione 5-(3-imidazol-1-ylpropylamino)-1…

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) -0.40 7.57 -14.98 1 8 0 87 314.349 5 ↓
Mid Mid (pH 6-8) -0.40 8.05 -42.47 2 8 1 88 315.357 5 ↓
Lo Low (pH 4.5-6) -4.13 8.34 -89.43 3 8 2 90 316.365 5 ↓

Parameters Provided:

ring.id = 125622
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 = 125622 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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