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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

32625198
32625198

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Popular Name: 6-Isopropyl-2-pyridin-4-yl-pyrimidin-4-ol 6-Isopropyl-2-pyridin-4-yl-pyrim…

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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) 1.78 4.65 -8.97 1 4 0 59 215.256 2 ↓
Hi High (pH 8-9.5) 2.24 2.59 -47.01 0 4 -1 62 214.248 2 ↓
Lo Low (pH 4.5-6) 1.78 5.09 -46.74 2 4 1 60 216.264 2 ↓

Analogs

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

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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) 2.22 7.58 -16.52 1 6 0 79 342.443 5 ↓
Hi High (pH 8-9.5) 2.67 5.72 -57.41 0 6 -1 82 341.435 5 ↓
Lo Low (pH 4.5-6) 2.22 8.03 -51.69 2 6 1 80 343.451 5 ↓

Analogs

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

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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) 2.22 7.3 -14.28 1 6 0 79 342.443 5 ↓
Hi High (pH 8-9.5) 2.67 5.5 -55.06 0 6 -1 82 341.435 5 ↓
Lo Low (pH 4.5-6) 2.22 7.76 -49.46 2 6 1 80 343.451 5 ↓

Analogs

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Popular Name: N-[(1S)-1,3-dimethylbutyl]-N-methyl-2-[4-methyl-6-oxo-2-(4-pyridyl)-1H-pyrimidin-5-yl]acetamide N-[(1S)-1,3-dimethylbutyl]-N-met…

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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) 2.17 8 -16.01 1 6 0 79 342.443 6 ↓
Hi High (pH 8-9.5) 2.62 6.13 -56.93 0 6 -1 82 341.435 6 ↓
Lo Low (pH 4.5-6) 2.17 8.44 -51 2 6 1 80 343.451 6 ↓

Analogs

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Popular Name: N-[(1R)-1,3-dimethylbutyl]-N-methyl-2-[4-methyl-6-oxo-2-(4-pyridyl)-1H-pyrimidin-5-yl]acetamide N-[(1R)-1,3-dimethylbutyl]-N-met…

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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) 2.17 7.99 -16.09 1 6 0 79 342.443 6 ↓
Hi High (pH 8-9.5) 2.62 6.13 -58.07 0 6 -1 82 341.435 6 ↓
Lo Low (pH 4.5-6) 2.17 8.44 -50.88 2 6 1 80 343.451 6 ↓

Analogs

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Popular Name: N-(3,3-dimethylbutyl)-3-[4-methyl-6-oxo-2-(4-pyridyl)-1H-pyrimidin-5-yl]propanamide N-(3,3-dimethylbutyl)-3-[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) 2.43 6.17 -14.32 2 6 0 88 342.443 7 ↓
Hi High (pH 8-9.5) 2.89 4.32 -50.91 1 6 -1 91 341.435 7 ↓
Lo Low (pH 4.5-6) 2.43 6.62 -52.64 3 6 1 89 343.451 7 ↓

Analogs

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Popular Name: N-[(1S)-1-ethyl-2-methyl-propyl]-3-[4-methyl-6-oxo-2-(4-pyridyl)-1H-pyrimidin-5-yl]propanamide N-[(1S)-1-ethyl-2-methyl-propyl]…

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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) 2.44 6.61 -13.58 2 6 0 88 342.443 7 ↓
Hi High (pH 8-9.5) 2.90 4.81 -51.15 1 6 -1 91 341.435 7 ↓
Lo Low (pH 4.5-6) 2.44 6.79 -51.75 3 6 1 89 343.451 7 ↓

Analogs

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Popular Name: N-[(1R)-1-ethyl-2-methyl-propyl]-3-[4-methyl-6-oxo-2-(4-pyridyl)-1H-pyrimidin-5-yl]propanamide N-[(1R)-1-ethyl-2-methyl-propyl]…

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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) 2.44 6.3 -13.41 2 6 0 88 342.443 7 ↓
Hi High (pH 8-9.5) 2.90 4.5 -50.8 1 6 -1 91 341.435 7 ↓
Lo Low (pH 4.5-6) 2.44 7.07 -51.72 3 6 1 89 343.451 7 ↓

Analogs

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Popular Name: N-isohexyl-3-[4-methyl-6-oxo-2-(4-pyridyl)-1H-pyrimidin-5-yl]propanamide N-isohexyl-3-[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) 2.38 6.58 -14.29 2 6 0 88 342.443 8 ↓
Hi High (pH 8-9.5) 2.84 4.74 -50.78 1 6 -1 91 341.435 8 ↓
Lo Low (pH 4.5-6) 2.38 7.04 -52.84 3 6 1 89 343.451 8 ↓

Analogs

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Popular Name: N-hexyl-3-[4-methyl-6-oxo-2-(4-pyridyl)-1H-pyrimidin-5-yl]propanamide N-hexyl-3-[4-methyl-6-oxo-2-(4-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) 2.90 6.8 -14.28 2 6 0 88 342.443 9 ↓
Hi High (pH 8-9.5) 3.36 5 -50.83 1 6 -1 91 341.435 9 ↓
Lo Low (pH 4.5-6) 2.90 7.26 -52.83 3 6 1 89 343.451 9 ↓

Analogs

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Popular Name: 3-[4-methyl-6-oxo-2-(4-pyridyl)-1H-pyrimidin-5-yl]-N-[(1R)-1-methylpropyl]propanamide 3-[4-methyl-6-oxo-2-(4-pyridyl)-…

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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) 1.66 5.47 -14.28 2 6 0 88 314.389 6 ↓
Hi High (pH 8-9.5) 2.12 3.67 -51.54 1 6 -1 91 313.381 6 ↓
Lo Low (pH 4.5-6) 1.66 5.93 -52.7 3 6 1 89 315.397 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[4-methyl-6-oxo-2-(4-pyridyl)-1H-pyrimidin-5-yl]-N-[(1S)-1-methylpropyl]propanamide 3-[4-methyl-6-oxo-2-(4-pyridyl)-…

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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) 1.66 5.47 -14.31 2 6 0 88 314.389 6 ↓
Hi High (pH 8-9.5) 2.12 3.67 -51.53 1 6 -1 91 313.381 6 ↓
Lo Low (pH 4.5-6) 1.66 5.93 -52.66 3 6 1 89 315.397 6 ↓

Analogs

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

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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) 1.88 5.22 -16.08 2 6 0 88 314.389 7 ↓
Hi High (pH 8-9.5) 2.34 3.41 -55.27 1 6 -1 91 313.381 7 ↓
Lo Low (pH 4.5-6) 1.88 5.68 -51.77 3 6 1 89 315.397 7 ↓

Analogs

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Popular Name: N-butyl-N-ethyl-2-[4-methyl-6-oxo-2-(4-pyridyl)-1H-pyrimidin-5-yl]acetamide N-butyl-N-ethyl-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) 2.00 7.49 -16.51 1 6 0 79 328.416 7 ↓
Hi High (pH 8-9.5) 2.46 5.67 -57.48 0 6 -1 82 327.408 7 ↓
Lo Low (pH 4.5-6) 2.00 7.94 -51.93 2 6 1 80 329.424 7 ↓

Analogs

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

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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) -0.06 2.11 -16.83 2 6 0 88 258.281 3 ↓
Hi High (pH 8-9.5) 0.40 0.25 -55.82 1 6 -1 91 257.273 3 ↓
Lo Low (pH 4.5-6) -0.06 2.57 -52.41 3 6 1 89 259.289 3 ↓

Parameters Provided:

ring.id = 110995
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 = 110995 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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