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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-[(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-5-(m-tolyl)-1,2,4-oxadiazole 3-[(2-methyl-6,8-dihydro-5H-pyri…

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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) 1.76 5.14 -12.88 0 6 0 68 321.384 3 ↓
Lo Low (pH 4.5-6) 1.76 7.37 -46.59 1 6 1 69 322.392 3 ↓

Analogs

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Popular Name: 3-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-ylmethyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole 3-(6,8-dihydro-5H-pyrido[3,4-d]p…

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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) 1.31 3.82 -12.64 0 7 0 77 323.356 4 ↓
Lo Low (pH 4.5-6) 1.31 6.05 -47.19 1 7 1 78 324.364 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-ylmethyl)-5-(m-tolyl)-1,2,4-oxadiazole 3-(6,8-dihydro-5H-pyrido[3,4-d]p…

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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) 1.68 5.18 -12.45 0 6 0 68 307.357 3 ↓
Lo Low (pH 4.5-6) 1.68 7.41 -46.31 1 6 1 69 308.365 3 ↓

Analogs

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Popular Name: 3-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-ylmethyl)-5-phenyl-1,2,4-oxadiazole 3-(6,8-dihydro-5H-pyrido[3,4-d]p…

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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) 1.25 4.51 -12.59 0 6 0 68 293.33 3 ↓
Lo Low (pH 4.5-6) 1.25 6.75 -46.27 1 6 1 69 294.338 3 ↓

Analogs

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Popular Name: 5-(4-methoxyphenyl)-3-[(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,2,4-oxadiazole 5-(4-methoxyphenyl)-3-[(2-methyl…

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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) 1.40 6.16 -46.91 1 7 1 78 338.391 4 ↓
Mid Mid (pH 6-8) 1.40 3.91 -12.44 0 7 0 77 337.383 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-5-(p-tolyl)-1,2,4-oxadiazole 3-[(2-methyl-6,8-dihydro-5H-pyri…

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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) 1.79 5.15 -12.77 0 6 0 68 321.384 3 ↓
Lo Low (pH 4.5-6) 1.79 7.38 -46.35 1 6 1 69 322.392 3 ↓

Parameters Provided:

ring.id = 352925
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 = 352925 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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