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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-[(1R,3S)-3-methylcyclohexyl]-2-[4-methyl-6-oxo-2-(4-pyridyl)-1H-pyrimidin-5-yl]acetamide N-[(1R,3S)-3-methylcyclohexyl]-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) 1.85 6.24 -16.11 2 6 0 88 340.427 4 ↓
Hi High (pH 8-9.5) 2.31 4.39 -56.38 1 6 -1 91 339.419 4 ↓
Lo Low (pH 4.5-6) 1.85 6.7 -51.37 3 6 1 89 341.435 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,3S)-3-methylcyclohexyl]-2-[4-methyl-6-oxo-2-(4-pyridyl)-1H-pyrimidin-5-yl]acetamide N-[(1S,3S)-3-methylcyclohexyl]-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) 1.85 6.66 -15.71 2 6 0 88 340.427 4 ↓
Hi High (pH 8-9.5) 2.31 4.81 -56.36 1 6 -1 91 339.419 4 ↓
Lo Low (pH 4.5-6) 1.85 7.12 -51.12 3 6 1 89 341.435 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,3R)-3-methylcyclohexyl]-2-[4-methyl-6-oxo-2-(4-pyridyl)-1H-pyrimidin-5-yl]acetamide N-[(1R,3R)-3-methylcyclohexyl]-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) 1.85 6.66 -15.42 2 6 0 88 340.427 4 ↓
Hi High (pH 8-9.5) 2.31 4.81 -55.35 1 6 -1 91 339.419 4 ↓
Lo Low (pH 4.5-6) 1.85 7.12 -50.93 3 6 1 89 341.435 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,3R)-3-methylcyclohexyl]-2-[4-methyl-6-oxo-2-(4-pyridyl)-1H-pyrimidin-5-yl]acetamide N-[(1S,3R)-3-methylcyclohexyl]-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) 1.85 6.24 -16.18 2 6 0 88 340.427 4 ↓
Hi High (pH 8-9.5) 2.31 4.39 -56.63 1 6 -1 91 339.419 4 ↓
Lo Low (pH 4.5-6) 1.85 6.7 -51.47 3 6 1 89 341.435 4 ↓

Analogs

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Popular Name: N-cyclohexyl-2-[4-methyl-6-oxo-2-(4-pyridyl)-1H-pyrimidin-5-yl]acetamide N-cyclohexyl-2-[4-methyl-6-oxo-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) 1.84 5.63 -16.3 2 6 0 88 326.4 4 ↓
Hi High (pH 8-9.5) 2.30 3.78 -56.42 1 6 -1 91 325.392 4 ↓
Lo Low (pH 4.5-6) 1.84 6.09 -51.57 3 6 1 89 327.408 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclohexyl-N-methyl-2-[4-methyl-6-oxo-2-(4-pyridyl)-1H-pyrimidin-5-yl]acetamide N-cyclohexyl-N-methyl-2-[4-methy…

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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) 2.09 7.44 -16.76 1 6 0 79 340.427 4 ↓
Hi High (pH 8-9.5) 2.55 5.59 -57.86 0 6 -1 82 339.419 4 ↓
Lo Low (pH 4.5-6) 2.09 7.9 -52.02 2 6 1 80 341.435 4 ↓

Parameters Provided:

ring.id = 120007
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 = 120007 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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