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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: 4-[(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-2-phenyl-oxazole 4-[(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) 2.01 7.12 -47.89 1 5 1 56 307.377 3 ↓
Mid Mid (pH 6-8) 2.01 4.83 -12.69 0 5 0 55 306.369 3 ↓

Analogs

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Popular Name: 2-(3-fluorophenyl)-4-[(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]oxazole 2-(3-fluorophenyl)-4-[(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) 2.15 7.18 -50.06 1 5 1 56 325.367 3 ↓
Mid Mid (pH 6-8) 2.15 4.9 -12.16 0 5 0 55 324.359 3 ↓

Analogs

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Popular Name: 4-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-ylmethyl)-2-(p-tolyl)oxazole 4-(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) 2.37 5.55 -12.06 0 5 0 55 306.369 3 ↓
Lo Low (pH 4.5-6) 2.37 7.83 -47.58 1 5 1 56 307.377 3 ↓

Analogs

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Popular Name: 2-(4-chlorophenyl)-4-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-ylmethyl)oxazole 2-(4-chlorophenyl)-4-(6,8-dihydr…

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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) 2.60 5.4 -10.81 0 5 0 55 326.787 3 ↓
Lo Low (pH 4.5-6) 2.60 7.67 -48.97 1 5 1 56 327.795 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-ylmethyl)-2-(3-fluorophenyl)oxazole 4-(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) 2.06 4.94 -13.07 0 5 0 55 310.332 3 ↓
Lo Low (pH 4.5-6) 2.06 7.22 -49.44 1 5 1 56 311.34 3 ↓

Analogs

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Popular Name: 2-(3,4-difluorophenyl)-4-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-ylmethyl)oxazole 2-(3,4-difluorophenyl)-4-(6,8-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) 2.18 4.99 -12.63 0 5 0 55 328.322 3 ↓
Lo Low (pH 4.5-6) 2.18 7.28 -51.85 1 5 1 56 329.33 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-ylmethyl)-2-phenyl-oxazole 4-(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) 1.92 4.88 -12.14 0 5 0 55 292.342 3 ↓
Lo Low (pH 4.5-6) 1.92 7.15 -47.7 1 5 1 56 293.35 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-fluorophenyl)-4-[(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]oxazole 2-(4-fluorophenyl)-4-[(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) 2.17 7.19 -49.61 1 5 1 56 325.367 3 ↓
Mid Mid (pH 6-8) 2.17 4.9 -11.55 0 5 0 55 324.359 3 ↓

Parameters Provided:

ring.id = 353631
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 = 353631 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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