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Analogs

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Popular Name: 6-isopropyl-1,3-dimethyl-5-sulfanyl-pyrido[3,2-e]pyrimidine-2,4-dione 6-isopropyl-1,3-dimethyl-5-sulfa…

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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) 0.94 6.5 -44.86 0 5 -1 63 264.33 1 ↓
Mid Mid (pH 6-8) 0.48 6.9 -48.1 1 5 0 60 265.338 1 ↓

Analogs

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Popular Name: 6-butyl-1,3-dimethyl-5-sulfanyl-pyrido[3,2-e]pyrimidine-2,4-dione 6-butyl-1,3-dimethyl-5-sulfanyl-…

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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) 1.76 7.6 -44.53 0 5 -1 63 278.357 3 ↓
Mid Mid (pH 6-8) 1.30 8 -48.89 1 5 0 60 279.365 3 ↓

Analogs

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Popular Name: 6-isobutyl-1,3-dimethyl-5-sulfanyl-pyrido[3,2-e]pyrimidine-2,4-dione 6-isobutyl-1,3-dimethyl-5-sulfan…

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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) 1.20 7.25 -44.77 0 5 -1 63 278.357 2 ↓
Mid Mid (pH 6-8) 0.74 7.65 -48.4 1 5 0 60 279.365 2 ↓

Parameters Provided:

ring.id = 130727
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 = 130727 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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