UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12236293
12236293

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Popular Name: 2-[(3R)-5-oxo-2,3-dihydrothiazolo[3,2-a]pyrimidin-3-yl]-N-(4-pyridyl)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) 0.08 -2.73 -11.86 1 6 0 77 288.332 3 ↓
Lo Low (pH 4.5-6) 0.08 -2.62 -41.05 2 6 1 78 289.34 3 ↓

Analogs

12236291
12236291

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Popular Name: 2-[(3S)-5-oxo-2,3-dihydrothiazolo[3,2-a]pyrimidin-3-yl]-N-(4-pyridyl)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) 0.08 -2.7 -12.99 1 6 0 77 288.332 3 ↓
Lo Low (pH 4.5-6) 0.08 -2.59 -41.78 2 6 1 78 289.34 3 ↓

Analogs

12236500
12236500

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Popular Name: 2-[(3S)-7-methyl-5-oxo-2,3-dihydrothiazolo[3,2-a]pyrimidin-3-yl]-N-(4-pyridyl)acetamide 2-[(3S)-7-methyl-5-oxo-2,3-dihyd…

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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) 0.52 -2.59 -12.35 1 6 0 77 302.359 3 ↓
Lo Low (pH 4.5-6) 0.52 -2.47 -41.91 2 6 1 78 303.367 3 ↓

Analogs

12236498
12236498

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Popular Name: 2-[(3R)-7-methyl-5-oxo-2,3-dihydrothiazolo[3,2-a]pyrimidin-3-yl]-N-(4-pyridyl)acetamide 2-[(3R)-7-methyl-5-oxo-2,3-dihyd…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.52 -2.57 -12.35 1 6 0 77 302.359 3 ↓
Lo Low (pH 4.5-6) 0.52 -2.46 -41.79 2 6 1 78 303.367 3 ↓

Parameters Provided:

ring.id = 98794
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 = 98794 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=98794&filter.purchasability=annotated

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