UCSF
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Analogs

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Popular Name: 1,3,6-trimethyl-5-(2-thienylmethylamino)pyrido[3,2-e]pyrimidine-2,4-dione 1,3,6-trimethyl-5-(2-thienylmeth…

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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) 1.38 -0.94 -43.37 2 6 1 70 317.394 3 ↓

Analogs

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

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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) 1.84 -0.96 -42.03 2 6 1 70 331.421 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.95 6.32 -8.87 1 6 0 69 302.359 3 ↓
Mid Mid (pH 6-8) -2.79 6.61 -43.64 2 6 1 71 303.367 3 ↓

Parameters Provided:

ring.id = 95547
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 = 95547 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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