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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-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)acetamide 2-(6-benzyl-2-ethyl-4-oxo-7,8-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) 0.55 7.05 -48.12 3 6 1 82 327.408 5 ↓
Mid Mid (pH 6-8) 0.55 4.76 -20.16 2 6 0 81 326.4 5 ↓

Analogs

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Popular Name: 2-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-propyl-acetamide 2-(6-benzyl-2-ethyl-4-oxo-7,8-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) 1.80 10.13 -47 2 6 1 68 369.489 7 ↓
Mid Mid (pH 6-8) 1.80 7.84 -18.96 1 6 0 67 368.481 7 ↓

Analogs

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Popular Name: 6-benzyl-2-[3-(dimethylamino)propylamino]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one 6-benzyl-2-[3-(dimethylamino)pro…

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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) 1.99 10.55 -92.84 4 6 2 67 343.475 7 ↓
Hi High (pH 8-9.5) 1.99 8.26 -50.93 3 6 1 65 342.467 7 ↓
Hi High (pH 8-9.5) 2.44 8.54 -77.79 3 6 1 70 342.467 7 ↓

Analogs

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Popular Name: 6-benzyl-2-(5-hydroxypentylamino)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one 6-benzyl-2-(5-hydroxypentylamino…

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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) 2.10 7.45 -44.81 4 6 1 82 343.451 8 ↓
Hi High (pH 8-9.5) 2.10 5.15 -13.86 3 6 0 81 342.443 8 ↓

Analogs

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Popular Name: N-[2-[(6-benzyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)amino]ethyl]acetamide N-[2-[(6-benzyl-4-oxo-3,5,7,8-te…

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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) 0.83 6.81 -50.71 4 7 1 91 342.423 6 ↓
Hi High (pH 8-9.5) 0.83 4.52 -18.04 3 7 0 90 341.415 6 ↓
Hi High (pH 8-9.5) 1.29 4.81 -54.69 3 7 0 94 341.415 6 ↓

Analogs

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Popular Name: 2-(6-benzyl-2-methyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-[(1R)-1-methylpropyl]acetam 2-(6-benzyl-2-methyl-4-oxo-7,8-d…

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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) 1.56 10.12 -47.57 2 6 1 68 369.489 6 ↓
Mid Mid (pH 6-8) 1.56 7.83 -20.25 1 6 0 67 368.481 6 ↓

Analogs

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Popular Name: 2-(6-benzyl-2-methyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-[(1S)-1-methylpropyl]acetam 2-(6-benzyl-2-methyl-4-oxo-7,8-d…

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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) 1.56 10.12 -47.6 2 6 1 68 369.489 6 ↓
Mid Mid (pH 6-8) 1.56 7.83 -20.24 1 6 0 67 368.481 6 ↓

Analogs

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

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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) 2.00 10.38 -47.71 2 6 1 68 383.516 7 ↓
Mid Mid (pH 6-8) 2.00 8.09 -20 1 6 0 67 382.508 7 ↓

Analogs

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

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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) 1.23 9.1 -47.97 2 6 1 68 355.462 6 ↓
Mid Mid (pH 6-8) 1.23 6.82 -20.31 1 6 0 67 354.454 6 ↓

Analogs

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Popular Name: N-isopentyl-2-[2-methyl-6-(m-tolylmethyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]acetamide N-isopentyl-2-[2-methyl-6-(m-tol…

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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) 2.43 11.1 -47.23 2 6 1 68 397.543 7 ↓
Mid Mid (pH 6-8) 2.43 8.81 -19.63 1 6 0 67 396.535 7 ↓

Parameters Provided:

ring.id = 377253
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 = 377253 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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