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

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethoxy]benzonitrile 4-[2-(6,8-dihydro-5H-pyrido[3,4-…

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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) 1.51 8.54 -53.48 1 5 1 63 281.339 4 ↓
Mid Mid (pH 6-8) 1.51 6.21 -10.51 0 5 0 62 280.331 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethoxy]benzonitrile 3-[2-(6,8-dihydro-5H-pyrido[3,4-…

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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) 1.49 8.53 -52.11 1 5 1 63 281.339 4 ↓
Mid Mid (pH 6-8) 1.49 6.21 -10.96 0 5 0 62 280.331 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethoxy]benzonitrile 4-[2-(2-methyl-6,8-dihydro-5H-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) 1.60 8.51 -53.77 1 5 1 63 295.366 4 ↓
Mid Mid (pH 6-8) 1.60 6.18 -11.01 0 5 0 62 294.358 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethoxy]benzenesulfonamide 4-[2-(2-methyl-6,8-dihydro-5H-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) 0.54 3.06 -57.16 3 7 1 100 349.436 5 ↓
Mid Mid (pH 6-8) 0.54 0.74 -15.31 2 7 0 98 348.428 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethoxy]benzonitrile 2-[2-(6,8-dihydro-5H-pyrido[3,4-…

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) 1.47 8.57 -48.21 1 5 1 63 281.339 4 ↓
Mid Mid (pH 6-8) 1.47 6.24 -12.62 0 5 0 62 280.331 4 ↓

Parameters Provided:

ring.id = 340991
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 = 340991 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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