UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12236287
12236287

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Popular Name: 2-[(3R)-5-oxo-2,3-dihydrothiazolo[3,2-a]pyrimidin-3-yl]-N-(2-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) 0.47 -2.2 -13.7 1 6 0 77 288.332 3 ↓
Lo Low (pH 4.5-6) 0.47 -2.55 -35.98 2 6 1 78 289.34 3 ↓

Analogs

12236284
12236284

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Popular Name: 2-[(3S)-5-oxo-2,3-dihydrothiazolo[3,2-a]pyrimidin-3-yl]-N-(2-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) 0.47 -2.17 -14.9 1 6 0 77 288.332 3 ↓
Lo Low (pH 4.5-6) 0.47 -2.52 -36.47 2 6 1 78 289.34 3 ↓

Analogs

12236504
12236504

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Popular Name: 2-[(3R)-7-methyl-5-oxo-2,3-dihydrothiazolo[3,2-a]pyrimidin-3-yl]-N-(6-methyl-2-pyridyl)acetamide 2-[(3R)-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) 0.96 -1.91 -13.87 1 6 0 77 316.386 3 ↓
Lo Low (pH 4.5-6) 0.96 -2.26 -34.57 2 6 1 78 317.394 3 ↓

Analogs

12236502
12236502

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Popular Name: 2-[(3S)-7-methyl-5-oxo-2,3-dihydrothiazolo[3,2-a]pyrimidin-3-yl]-N-(6-methyl-2-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) 0.96 -1.91 -14.54 1 6 0 77 316.386 3 ↓
Lo Low (pH 4.5-6) 0.96 -2.26 -34.97 2 6 1 78 317.394 3 ↓

Analogs

12236622
12236622

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Popular Name: 2-[(3R)-6-methyl-5-oxo-2,3-dihydrothiazolo[3,2-a]pyrimidin-3-yl]-N-(6-methyl-2-pyridyl)acetamide 2-[(3R)-6-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) 0.95 -1.77 -13.71 1 6 0 77 316.386 3 ↓
Lo Low (pH 4.5-6) 0.95 -2.12 -34.28 2 6 1 78 317.394 3 ↓

Analogs

12236620
12236620

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Popular Name: 2-[(3S)-6-methyl-5-oxo-2,3-dihydrothiazolo[3,2-a]pyrimidin-3-yl]-N-(6-methyl-2-pyridyl)acetamide 2-[(3S)-6-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) 0.95 -1.77 -14.42 1 6 0 77 316.386 3 ↓
Lo Low (pH 4.5-6) 0.95 -2.12 -34.68 2 6 1 78 317.394 3 ↓

Parameters Provided:

ring.id = 98793
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 = 98793 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=98793&filter.purchasability=annotated

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