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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: 3-[4-[(1-cyclopropyl-4-piperidyl)oxy]phenyl]-2-methyl-pyrido[3,4-d]pyrimidin-4-one 3-[4-[(1-cyclopropyl-4-piperidyl…

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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) 1.43 10.68 -43.31 1 6 1 61 377.468 4 ↓
Hi High (pH 8-9.5) 1.43 8.49 -9.03 0 6 0 60 376.46 4 ↓

Analogs

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Popular Name: 3-[2-[(1R)-1-fluoroethoxy]-4-[3-(1-piperidyl)propoxy]phenyl]-2-methyl-pyrido[3,4-d]pyrimidin-4-one 3-[2-[(1R)-1-fluoroethoxy]-4-[3-…

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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) 3.43 11.31 -47.47 1 7 1 71 441.527 8 ↓

Analogs

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Popular Name: 3-[2-[(1S)-1-fluoroethoxy]-4-[3-(1-piperidyl)propoxy]phenyl]-2-methyl-pyrido[3,4-d]pyrimidin-4-one 3-[2-[(1S)-1-fluoroethoxy]-4-[3-…

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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) 3.43 11.31 -49.37 1 7 1 71 441.527 8 ↓

Analogs

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Popular Name: 3-[4-[(1-cyclopentyl-4-piperidyl)oxy]phenyl]-2-methyl-pyrido[3,4-d]pyrimidin-4-one 3-[4-[(1-cyclopentyl-4-piperidyl…

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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) 2.46 11.81 -45.05 1 6 1 61 405.522 4 ↓
Hi High (pH 8-9.5) 2.46 9.65 -8.67 0 6 0 60 404.514 4 ↓

Analogs

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Popular Name: 6-chloro-3-[2-methoxy-4-[3-(1-piperidyl)propoxy]phenyl]-2-methyl-pyrido[3,4-d]pyrimidin-4-one 6-chloro-3-[2-methoxy-4-[3-(1-pi…

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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) 3.80 10.71 -47.68 1 7 1 71 443.955 7 ↓

Analogs

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Popular Name: 2-methyl-3-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyrido[3,4-d]pyrimidin-4-one 2-methyl-3-[4-[3-[(2S)-2-methylp…

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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) 2.41 10.42 -43.77 1 6 1 61 379.484 6 ↓

Analogs

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Popular Name: 2-methyl-3-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyrido[3,4-d]pyrimidin-4-one 2-methyl-3-[4-[3-[(2R)-2-methylp…

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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) 2.41 10.71 -43.63 1 6 1 61 379.484 6 ↓

Analogs

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Popular Name: 3-[4-[(1-cyclobutyl-4-piperidyl)oxy]phenyl]-6-fluoro-2-methyl-pyrido[3,4-d]pyrimidin-4-one 3-[4-[(1-cyclobutyl-4-piperidyl)…

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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) 2.23 11.17 -44.31 1 6 1 61 409.485 4 ↓
Hi High (pH 8-9.5) 2.23 9.02 -8.55 0 6 0 60 408.477 4 ↓

Analogs

32199794
32199794

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Popular Name: 6-Chloro-3-methylpyrido[3,4-d]pyrimidin-4(3H)-one 6-Chloro-3-methylpyrido[3,4-d]py…

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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) 0.98 3.85 -10.82 0 4 0 48 195.609 0 ↓

Parameters Provided:

ring.id = 195792
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 = 195792 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=195792&filter.purchasability=annotated

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