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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-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-6-oxo-pyran-3-carboxamide N-[5-methyl-2-(4-methyl-6-oxo-1H…

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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) 0.76 6.25 -44.99 1 9 -1 126 326.292 3 ↓
Mid Mid (pH 6-8) 0.30 7.72 -17.96 2 9 0 123 327.3 3 ↓

Analogs

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Popular Name: N-[5-tert-butyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-6-oxo-pyran-3-carboxamide N-[5-tert-butyl-2-(4-methyl-6-ox…

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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) 2.48 8.13 -45.02 1 9 -1 126 368.373 4 ↓
Mid Mid (pH 6-8) 2.02 9.6 -17.03 2 9 0 123 369.381 4 ↓

Analogs

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Popular Name: N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]-6-oxo-pyran-3-carboxamide N-[2-(4,5-dimethyl-6-oxo-1H-pyri…

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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) 1.13 6.86 -45.6 1 9 -1 126 340.319 3 ↓
Mid Mid (pH 6-8) 0.68 8.31 -17.93 2 9 0 123 341.327 3 ↓

Analogs

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Popular Name: N-[5-tert-butyl-2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-6-oxo-pyran-3-carboxamide N-[5-tert-butyl-2-(4,5-dimethyl-…

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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) 2.86 8.74 -45.71 1 9 -1 126 382.4 4 ↓
Mid Mid (pH 6-8) 2.40 10.19 -17.11 2 9 0 123 383.408 4 ↓

Analogs

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Popular Name: N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]-6-oxo-pyran-3-carboxamide N-[2-(5-ethyl-4-methyl-6-oxo-1H-…

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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) 1.60 7.61 -45.93 1 9 -1 126 354.346 4 ↓
Mid Mid (pH 6-8) 1.14 9.01 -18.18 2 9 0 123 355.354 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]-6-oxo-pyran-3-carboxamide N-[2-(4-ethyl-6-oxo-1H-pyrimidin…

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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) 1.33 7.03 -44.9 1 9 -1 126 340.319 4 ↓
Mid Mid (pH 6-8) 0.87 8.46 -16.96 2 9 0 123 341.327 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-6-oxo-pyran-3-carboxamide N-[5-methyl-2-(6-oxo-4-propyl-1H…

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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) 1.83 7.82 -44.8 1 9 -1 126 354.346 5 ↓
Mid Mid (pH 6-8) 1.37 9.23 -16.59 2 9 0 123 355.354 5 ↓

Parameters Provided:

ring.id = 601394
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 = 601394 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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