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

Analogs

12236306
12236306

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Popular Name: 2-[(3R)-5-oxo-2,3-dihydrothiazolo[3,2-a]pyrimidin-3-yl]-N-thiazol-2-yl-acetamide 2-[(3R)-5-oxo-2,3-dihydrothiazol…

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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) 0.42 -3.05 -14.19 1 6 0 77 294.361 3 ↓

Analogs

12236303
12236303

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Popular Name: 2-[(3S)-5-oxo-2,3-dihydrothiazolo[3,2-a]pyrimidin-3-yl]-N-thiazol-2-yl-acetamide 2-[(3S)-5-oxo-2,3-dihydrothiazol…

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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) 0.42 -3.16 -12.13 1 6 0 77 294.361 3 ↓

Analogs

12236312
12236312

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Popular Name: N-(4-methylthiazol-2-yl)-2-[(3R)-5-oxo-2,3-dihydrothiazolo[3,2-a]pyrimidin-3-yl]acetamide N-(4-methylthiazol-2-yl)-2-[(3R)…

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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) 0.64 -3.03 -11.94 1 6 0 77 308.388 3 ↓

Analogs

12236308
12236308

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Popular Name: N-(4-methylthiazol-2-yl)-2-[(3S)-5-oxo-2,3-dihydrothiazolo[3,2-a]pyrimidin-3-yl]acetamide N-(4-methylthiazol-2-yl)-2-[(3S)…

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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) 0.64 -3.01 -12.36 1 6 0 77 308.388 3 ↓

Analogs

12236627
12236627

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Popular Name: ethyl ethyl

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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) 1.51 -1.67 -16.3 1 8 0 103 394.478 7 ↓

Analogs

12236625
12236625

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Popular Name: ethyl ethyl

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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) 1.51 -1.65 -17.64 1 8 0 103 394.478 7 ↓

Parameters Provided:

ring.id = 98803
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 = 98803 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=98803&filter.purchasability=annotated

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