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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: N-(5-chloro-2-methoxy-phenyl)-2-(6-methyl-4-oxo-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl) N-(5-chloro-2-methoxy-phenyl)-2-…

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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) 3.34 10.28 -44.62 2 7 1 78 439.923 5 ↓
Hi High (pH 8-9.5) 3.34 7.87 -18.08 1 7 0 76 438.915 5 ↓

Analogs

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Popular Name: N-(2,5-dichlorophenyl)-2-(6-methyl-4-oxo-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)acetami N-(2,5-dichlorophenyl)-2-(6-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) 3.96 11.49 -43.18 2 6 1 68 444.342 4 ↓
Hi High (pH 8-9.5) 3.96 9.06 -15.87 1 6 0 67 443.334 4 ↓

Analogs

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Popular Name: 2-(6-ethyl-4-oxo-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(2,4,6-trimethylphenyl)aceta 2-(6-ethyl-4-oxo-2-phenyl-7,8-di…

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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) 3.32 13.38 -43.33 2 6 1 68 431.56 5 ↓
Hi High (pH 8-9.5) 3.32 11.1 -17.8 1 6 0 67 430.552 5 ↓

Analogs

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Popular Name: 2-(6-ethyl-4-oxo-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-methyl-N-phenyl-acetamide 2-(6-ethyl-4-oxo-2-phenyl-7,8-di…

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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) 3.30 12.66 -44.66 1 6 1 60 403.506 5 ↓
Mid Mid (pH 6-8) 3.30 10.38 -19.04 0 6 0 58 402.498 5 ↓

Analogs

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Popular Name: N-(3-acetylphenyl)-2-[6-ethyl-2-(4-fluorophenyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]ac N-(3-acetylphenyl)-2-[6-ethyl-2-…

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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) 3.09 11.47 -51.47 2 7 1 86 449.506 6 ↓
Hi High (pH 8-9.5) 3.09 9.18 -25.71 1 7 0 84 448.498 6 ↓

Analogs

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Popular Name: N-(2,6-dimethylphenyl)-2-[6-ethyl-2-(4-fluorophenyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-y N-(2,6-dimethylphenyl)-2-[6-ethy…

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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) 3.08 12.8 -44.33 2 6 1 68 435.523 5 ↓
Hi High (pH 8-9.5) 3.08 10.51 -16.56 1 6 0 67 434.515 5 ↓

Analogs

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Popular Name: 2-[6-ethyl-2-(4-fluorophenyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]-N-(5-fluoro-2-methyl 2-[6-ethyl-2-(4-fluorophenyl)-4-…

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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) 3.76 12.04 -47.31 2 6 1 68 439.486 5 ↓
Hi High (pH 8-9.5) 3.76 9.76 -20.58 1 6 0 67 438.478 5 ↓

Analogs

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Popular Name: 2-[6-ethyl-2-(4-fluorophenyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]-N-(2-ethyl-6-methyl- 2-[6-ethyl-2-(4-fluorophenyl)-4-…

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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) 3.55 13.22 -43.39 2 6 1 68 449.55 6 ↓
Hi High (pH 8-9.5) 3.55 10.93 -15.93 1 6 0 67 448.542 6 ↓

Analogs

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Popular Name: N-(2,3-dimethylphenyl)-2-[6-ethyl-2-(4-fluorophenyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-y N-(2,3-dimethylphenyl)-2-[6-ethy…

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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) 4.02 12.54 -45.49 2 6 1 68 435.523 5 ↓
Hi High (pH 8-9.5) 4.02 10.26 -17.96 1 6 0 67 434.515 5 ↓

Analogs

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Popular Name: N-(2,5-dimethylphenyl)-2-[6-ethyl-2-(4-fluorophenyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-y N-(2,5-dimethylphenyl)-2-[6-ethy…

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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) 4.04 12.65 -45.34 2 6 1 68 435.523 5 ↓
Hi High (pH 8-9.5) 4.04 10.37 -17.94 1 6 0 67 434.515 5 ↓

Analogs

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Popular Name: N-(2-chlorophenyl)-2-(4-oxo-2-phenyl-6-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)acetamide N-(2-chlorophenyl)-2-(4-oxo-2-ph…

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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) 4.18 12.35 -42.65 2 6 1 68 437.951 6 ↓
Hi High (pH 8-9.5) 4.18 10.09 -15.64 1 6 0 67 436.943 6 ↓

Analogs

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Popular Name: N-(2-methoxy-5-methyl-phenyl)-2-(4-oxo-2-phenyl-6-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl) N-(2-methoxy-5-methyl-phenyl)-2-…

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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) 3.99 11.86 -43.85 2 7 1 78 447.559 7 ↓
Hi High (pH 8-9.5) 3.99 9.57 -17.81 1 7 0 76 446.551 7 ↓

Analogs

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Popular Name: N-(o-tolyl)-2-(4-oxo-2-phenyl-6-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)acetamide N-(o-tolyl)-2-(4-oxo-2-phenyl-6-…

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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) 3.96 12.65 -44.67 2 6 1 68 417.533 6 ↓
Hi High (pH 8-9.5) 3.96 10.37 -18.88 1 6 0 67 416.525 6 ↓

Parameters Provided:

ring.id = 562587
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 = 562587 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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