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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: (2S)-N-(2-cyclohexen-1-ylethyl)-2-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propanamide (2S)-N-(2-cyclohexen-1-ylethyl)-…

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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) 1.98 8.49 -40.6 2 5 1 59 329.468 5 ↓
Mid Mid (pH 6-8) 1.98 6.21 -14.09 1 5 0 58 328.46 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2-cyclohexen-1-ylethyl)-2-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propanamide (2R)-N-(2-cyclohexen-1-ylethyl)-…

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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) 1.98 8.52 -44.96 2 5 1 59 329.468 5 ↓
Mid Mid (pH 6-8) 1.98 6.11 -10.19 1 5 0 58 328.46 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-cyclohexen-1-ylethyl)-2-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)acetamide N-(2-cyclohexen-1-ylethyl)-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) 2.15 7.99 -49.67 2 5 1 59 315.441 5 ↓
Mid Mid (pH 6-8) 2.15 5.79 -14.32 1 5 0 58 314.433 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(2-cyclohexen-1-ylethyl)-2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propanamide (2S)-N-(2-cyclohexen-1-ylethyl)-…

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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) 1.89 8.52 -40.45 2 5 1 59 315.441 5 ↓
Mid Mid (pH 6-8) 1.89 6.25 -13.58 1 5 0 58 314.433 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2-cyclohexen-1-ylethyl)-2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propanamide (2R)-N-(2-cyclohexen-1-ylethyl)-…

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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) 1.89 8.57 -44.76 2 5 1 59 315.441 5 ↓
Mid Mid (pH 6-8) 1.89 6.15 -9.74 1 5 0 58 314.433 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-cyclohexen-1-ylethyl)-2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)acetamide N-(2-cyclohexen-1-ylethyl)-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) 2.72 8.6 -49.56 2 5 1 59 329.468 6 ↓
Mid Mid (pH 6-8) 2.72 6.39 -14.15 1 5 0 58 328.46 6 ↓

Parameters Provided:

ring.id = 352339
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 = 352339 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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