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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-(2-cyanoethyl)-2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(2-furylmethyl)acetamide N-(2-cyanoethyl)-2-(6,8-dihydro-…

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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) -0.46 6.44 -19.75 0 7 0 86 325.372 6 ↓
Mid Mid (pH 6-8) -0.46 8.63 -60.48 1 7 1 87 326.38 6 ↓

Analogs

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Popular Name: 2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(2-furylmethyl)-N-methyl-acetamide 2-(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) 0.08 7.22 -49.87 1 6 1 64 287.343 4 ↓
Mid Mid (pH 6-8) 0.08 5.03 -15.17 0 6 0 62 286.335 4 ↓

Analogs

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Popular Name: N-(2-cyanoethyl)-N-(2-furylmethyl)-2-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)acetamide N-(2-cyanoethyl)-N-(2-furylmethy…

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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) -0.37 8.59 -61.13 1 7 1 87 340.407 6 ↓
Mid Mid (pH 6-8) -0.37 6.4 -21.76 0 7 0 86 339.399 6 ↓

Analogs

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Popular Name: 2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-methyl-N-[(5-methyl-2-furyl)methyl]acetamide 2-(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) 0.30 8.04 -49.89 1 6 1 64 301.37 4 ↓
Mid Mid (pH 6-8) 0.30 5.85 -15.28 0 6 0 62 300.362 4 ↓

Analogs

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Popular Name: N-(2-furylmethyl)-N-methyl-2-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)acetamide N-(2-furylmethyl)-N-methyl-2-(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) 0.17 7.18 -50.99 1 6 1 64 301.37 4 ↓
Mid Mid (pH 6-8) 0.17 4.99 -17.71 0 6 0 62 300.362 4 ↓

Analogs

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

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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) 0.96 8.62 -51.05 1 6 1 64 329.424 5 ↓
Mid Mid (pH 6-8) 0.96 6.42 -18.08 0 6 0 62 328.416 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 0.74 7.8 -50.89 1 6 1 64 315.397 5 ↓
Mid Mid (pH 6-8) 0.74 5.6 -17.61 0 6 0 62 314.389 5 ↓

Parameters Provided:

ring.id = 353848
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 = 353848 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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