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Analogs

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

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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) 1.64 0.6 -46.65 2 6 1 70 329.355 3 ↓

Analogs

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

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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) 1.54 -0.12 -46.32 2 7 1 79 341.391 4 ↓

Analogs

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

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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) 1.49 -0.18 -39.94 2 7 1 79 341.391 4 ↓

Analogs

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

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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) 1.51 -0.2 -45.33 2 7 1 79 341.391 4 ↓

Analogs

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

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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) 2.11 0.88 -46.07 2 6 1 70 343.382 4 ↓

Analogs

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

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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) 2.00 0.16 -45.11 2 7 1 79 355.418 5 ↓

Analogs

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

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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) 1.95 -0.08 -39.8 2 7 1 79 355.418 5 ↓

Analogs

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

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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) 1.98 0.15 -43.47 2 7 1 79 355.418 5 ↓

Analogs

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

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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) 1.21 7.27 -9.62 1 6 0 69 314.32 3 ↓
Mid Mid (pH 6-8) -2.52 7.56 -46.27 2 6 1 71 315.328 3 ↓

Analogs

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

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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) 1.11 6.52 -9.94 1 7 0 78 326.356 4 ↓
Mid Mid (pH 6-8) -2.63 6.81 -45.29 2 7 1 80 327.364 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.06 6.56 -9.41 1 7 0 78 326.356 4 ↓
Mid Mid (pH 6-8) -2.68 6.85 -42.14 2 7 1 80 327.364 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.08 6.52 -10.05 1 7 0 78 326.356 4 ↓
Mid Mid (pH 6-8) -2.66 6.81 -44.5 2 7 1 80 327.364 4 ↓

Parameters Provided:

ring.id = 95526
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 = 95526 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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