UCSF
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Analogs

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Popular Name: 7-methoxy-5-(2-pyridyl)isothiazolo[4,5-b]pyridine 7-methoxy-5-(2-pyridyl)isothiazo…

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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) 2.20 4.08 -7.6 0 4 0 48 243.291 2 ↓
Mid Mid (pH 6-8) 2.20 4.26 -29.51 1 4 1 49 244.299 2 ↓
Lo Low (pH 4.5-6) 2.20 4.29 -41.03 1 4 1 49 244.299 2 ↓

Analogs

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Popular Name: ethyl 7-oxo-3-phenyl-4,7-dihydro[1,2]thiazolo[4,5-b]pyridine-6-carboxylate ethyl 7-oxo-3-phenyl-4,7-dihydro…

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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) 3.04 7.14 -45.78 0 5 -1 75 299.331 4 ↓
Lo Low (pH 4.5-6) 2.58 8.15 -14.39 1 5 0 72 300.339 4 ↓

Analogs

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Popular Name: 7-oxo-3-(pyridin-2-yl)-4,7-dihydro[1,2]thiazolo[4,5-b]pyridine-6-carboxylic acid 7-oxo-3-(pyridin-2-yl)-4,7-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) 1.26 3.36 -46.77 1 6 -1 99 272.265 2 ↓
Lo Low (pH 4.5-6) 1.26 3.75 -52.51 2 6 0 100 273.273 2 ↓

Parameters Provided:

ring.id = 134861
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 = 134861 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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