UCSF
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Analogs

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

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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) 0.31 -1.1 -47.43 2 7 1 83 312.353 3 ↓
Lo Low (pH 4.5-6) 0.31 -1.04 -87.55 3 7 2 84 313.361 3 ↓

Analogs

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Popular Name: 6-ethyl-1,3-dimethyl-5-(2-pyridylmethylamino)pyrido[3,2-e]pyrimidine-2,4-dione 6-ethyl-1,3-dimethyl-5-(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) 0.77 -0.82 -46.8 2 7 1 83 326.38 4 ↓
Lo Low (pH 4.5-6) 0.77 -0.75 -86.92 3 7 2 84 327.388 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) -0.12 5.37 -10.58 1 7 0 82 297.318 3 ↓
Mid Mid (pH 6-8) -3.86 5.66 -44.14 2 7 1 84 298.326 3 ↓

Parameters Provided:

ring.id = 95539
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 = 95539 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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