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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: 2-[[(2S)-2-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propanoyl]amino]thiophene-3-carboxam 2-[[(2S)-2-(2-methyl-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) -0.17 3.4 -42.9 4 7 1 102 346.436 4 ↓
Mid Mid (pH 6-8) -0.17 1.12 -15.09 3 7 0 101 345.428 4 ↓

Analogs

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Popular Name: 2-[[(2R)-2-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propanoyl]amino]thiophene-3-carboxam 2-[[(2R)-2-(2-methyl-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) -0.17 3.43 -46.15 4 7 1 102 346.436 4 ↓
Mid Mid (pH 6-8) -0.17 1.05 -12.22 3 7 0 101 345.428 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(2S)-2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propanoyl]amino]thiophene-3-carboxamide 2-[[(2S)-2-(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) -0.26 1.16 -14.63 3 7 0 101 331.401 4 ↓
Mid Mid (pH 6-8) -0.26 3.44 -42.69 4 7 1 102 332.409 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(2R)-2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propanoyl]amino]thiophene-3-carboxamide 2-[[(2R)-2-(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) -0.26 1.09 -11.87 3 7 0 101 331.401 4 ↓
Mid Mid (pH 6-8) -0.26 3.48 -46 4 7 1 102 332.409 4 ↓

Analogs

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

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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) 0.71 4.16 -13.56 1 6 0 82 299.359 3 ↓
Mid Mid (pH 6-8) 0.71 6.35 -55.46 2 6 1 83 300.367 3 ↓

Analogs

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

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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) 1.37 6.92 -55.61 2 6 1 83 328.421 4 ↓
Mid Mid (pH 6-8) 1.37 4.72 -13.87 1 6 0 82 327.413 4 ↓

Parameters Provided:

ring.id = 355339
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 = 355339 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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