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Analogs

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Popular Name: 1,3,6-trimethyl-5-[[(2S)-tetrahydrofuran-2-yl]methylamino]pyrido[3,2-e]pyrimidine-2,4-dione 1,3,6-trimethyl-5-[[(2S)-tetrahy…

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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) 0.45 5.06 -7.49 1 7 0 78 304.35 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3,6-trimethyl-5-[[(2R)-tetrahydrofuran-2-yl]methylamino]pyrido[3,2-e]pyrimidine-2,4-dione 1,3,6-trimethyl-5-[[(2R)-tetrahy…

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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) 0.45 5.13 -7.65 1 7 0 78 304.35 3 ↓

Analogs

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Popular Name: 6-ethyl-1,3-dimethyl-5-[[(2S)-tetrahydrofuran-2-yl]methylamino]pyrido[3,2-e]pyrimidine-2,4-dione 6-ethyl-1,3-dimethyl-5-[[(2S)-te…

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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) 0.92 5.8 -6.98 1 7 0 78 318.377 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-ethyl-1,3-dimethyl-5-[[(2R)-tetrahydrofuran-2-yl]methylamino]pyrido[3,2-e]pyrimidine-2,4-dione 6-ethyl-1,3-dimethyl-5-[[(2R)-te…

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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) 0.92 5.91 -9.36 1 7 0 78 318.377 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3-dimethyl-5-[[(2S)-tetrahydrofuran-2-yl]methylamino]pyrido[3,2-e]pyrimidine-2,4-dione 1,3-dimethyl-5-[[(2S)-tetrahydro…

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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) 0.02 4.43 -9.43 1 7 0 78 290.323 3 ↓
Lo Low (pH 4.5-6) -3.71 4.72 -42.27 2 7 1 80 291.331 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3-dimethyl-5-[[(2R)-tetrahydrofuran-2-yl]methylamino]pyrido[3,2-e]pyrimidine-2,4-dione 1,3-dimethyl-5-[[(2R)-tetrahydro…

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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) 0.02 4.5 -9.65 1 7 0 78 290.323 3 ↓
Lo Low (pH 4.5-6) -3.71 4.78 -42.3 2 7 1 80 291.331 3 ↓

Parameters Provided:

ring.id = 125620
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 = 125620 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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