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

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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) 0.13 6.17 -51.46 2 7 1 85 302.358 3 ↓
Mid Mid (pH 6-8) 0.13 3.78 -12.23 1 7 0 84 301.35 3 ↓

Analogs

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

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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) 0.13 6.13 -48.11 2 7 1 85 302.358 3 ↓
Mid Mid (pH 6-8) 0.13 3.85 -15.25 1 7 0 84 301.35 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 0.04 6.21 -51.22 2 7 1 85 288.331 3 ↓
Mid Mid (pH 6-8) 0.04 3.82 -11.77 1 7 0 84 287.323 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 0.04 6.16 -47.9 2 7 1 85 288.331 3 ↓
Mid Mid (pH 6-8) 0.04 3.89 -14.84 1 7 0 84 287.323 3 ↓

Analogs

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

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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) 0.66 6.85 -47.9 2 7 1 85 316.385 4 ↓
Mid Mid (pH 6-8) 0.66 4.93 -11.97 1 7 0 84 315.377 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 0.66 6.92 -51.05 2 7 1 85 316.385 4 ↓
Mid Mid (pH 6-8) 0.66 4.32 -12.28 1 7 0 84 315.377 4 ↓

Analogs

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Popular Name: 2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(5-methylisoxazol-3-yl)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 5.68 -56.97 2 7 1 85 274.304 3 ↓
Mid Mid (pH 6-8) 0.08 3.49 -15.52 1 7 0 84 273.296 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 0.16 5.64 -57.28 2 7 1 85 288.331 3 ↓
Mid Mid (pH 6-8) 0.16 3.45 -15.98 1 7 0 84 287.323 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 0.57 6.89 -47.67 2 7 1 85 302.358 4 ↓
Mid Mid (pH 6-8) 0.57 4.97 -11.49 1 7 0 84 301.35 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 0.57 6.96 -50.86 2 7 1 85 302.358 4 ↓
Mid Mid (pH 6-8) 0.57 4.35 -11.86 1 7 0 84 301.35 4 ↓

Parameters Provided:

ring.id = 351725
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 = 351725 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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