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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-benzyl-2-[7-oxo-3-(4-pyridyl)isothiazolo[4,5-d]pyrimidin-6-yl]acetamide N-benzyl-2-[7-oxo-3-(4-pyridyl)i…

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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) 1.17 7.54 -19.87 1 7 0 90 377.429 5 ↓
Lo Low (pH 4.5-6) 1.17 8 -50.6 2 7 1 91 378.437 5 ↓

Analogs

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Popular Name: 2-[7-oxo-3-(4-pyridyl)isothiazolo[4,5-d]pyrimidin-6-yl]-N-(p-tolylmethyl)acetamide 2-[7-oxo-3-(4-pyridyl)isothiazol…

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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) 1.62 8.22 -19.86 1 7 0 90 391.456 5 ↓
Lo Low (pH 4.5-6) 1.62 8.68 -50.54 2 7 1 91 392.464 5 ↓

Analogs

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Popular Name: N-[(3-methoxyphenyl)methyl]-2-[7-oxo-3-(4-pyridyl)isothiazolo[4,5-d]pyrimidin-6-yl]acetamide N-[(3-methoxyphenyl)methyl]-2-[7…

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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) 1.20 6.83 -20.71 1 8 0 99 407.455 6 ↓
Lo Low (pH 4.5-6) 1.20 7.3 -51.11 2 8 1 100 408.463 6 ↓

Analogs

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Popular Name: N-[(2,3-dimethoxyphenyl)methyl]-2-[7-oxo-3-(4-pyridyl)isothiazolo[4,5-d]pyrimidin-6-yl]acetamide N-[(2,3-dimethoxyphenyl)methyl]-…

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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) 0.99 7.35 -24.08 1 9 0 108 437.481 7 ↓
Lo Low (pH 4.5-6) 0.99 7.81 -54.87 2 9 1 109 438.489 7 ↓

Analogs

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Popular Name: N-[(4-fluorophenyl)methyl]-2-[7-oxo-3-(4-pyridyl)isothiazolo[4,5-d]pyrimidin-6-yl]acetamide N-[(4-fluorophenyl)methyl]-2-[7-…

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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 7.61 -20.9 1 7 0 90 395.419 5 ↓
Lo Low (pH 4.5-6) 1.33 8.07 -52.1 2 7 1 91 396.427 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-methoxyphenyl)methyl]-2-[7-oxo-3-(4-pyridyl)isothiazolo[4,5-d]pyrimidin-6-yl]acetamide N-[(4-methoxyphenyl)methyl]-2-[7…

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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) 1.22 6.83 -21.09 1 8 0 99 407.455 6 ↓
Lo Low (pH 4.5-6) 1.22 7.3 -51.93 2 8 1 100 408.463 6 ↓

Parameters Provided:

ring.id = 382692
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 = 382692 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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