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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[methyl-[(5-oxothiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-(p-tolyl)acetamide 2-[methyl-[(5-oxothiazolo[3,2-a]…

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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) 2.45 6.52 -38.52 2 6 1 68 343.432 5 ↓
Hi High (pH 8-9.5) 2.45 6.6 -18.98 1 6 0 67 342.424 5 ↓

Analogs

16588210
16588210
30219377
30219377

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Popular Name: 2-[ethyl-[(3-methyl-5-oxo-thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-(3-methoxyphenyl)acetamide 2-[ethyl-[(3-methyl-5-oxo-thiazo…

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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) 2.63 6.52 -32.83 2 7 1 77 387.485 7 ↓
Hi High (pH 8-9.5) 2.63 7.87 -51.26 2 7 1 77 387.485 7 ↓
Hi High (pH 8-9.5) 2.63 6.12 -20.57 1 7 0 76 386.477 7 ↓

Analogs

16622556
16622556
16587963
16587963

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[ethyl-[(3-methyl-5-oxo-thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-(2-methoxyphenyl)acetamide 2-[ethyl-[(3-methyl-5-oxo-thiazo…

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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) 2.61 6.75 -38.31 2 7 1 77 387.485 7 ↓
Hi High (pH 8-9.5) 2.61 6.79 -16.96 1 7 0 76 386.477 7 ↓
Hi High (pH 8-9.5) 2.61 8.88 -45.11 2 7 1 77 387.485 7 ↓

Analogs

2726064
2726064
14095801
14095801
16557606
16557606

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3-methyl-5-oxo-thiazolo[3,2-a]pyrimidin-7-yl)methyl-propyl-amino]-N-(o-tolyl)acetamide 2-[(3-methyl-5-oxo-thiazolo[3,2-…

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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) 3.50 8.96 -39.74 2 6 1 68 385.513 7 ↓
Hi High (pH 8-9.5) 3.50 9.03 -17 1 6 0 67 384.505 7 ↓
Hi High (pH 8-9.5) 3.50 11.1 -48.27 2 6 1 68 385.513 7 ↓

Parameters Provided:

ring.id = 158950
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 = 158950 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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