UCSF
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Analogs

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Popular Name: 5-(1,1-dioxo-1,4-thiazinan-4-yl)pyridin-2-amine 5-(1,1-dioxo-1,4-thiazinan-4-yl)…

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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) 0.06 0.39 -43.25 3 5 1 78 228.297 1 ↓
Mid Mid (pH 6-8) 0.06 -0.09 -13.44 2 5 0 76 227.289 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carboxylic 5-(1,1-dioxo-1,4-thiazinan-4-yl)…

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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) -0.22 1.73 -52.94 0 6 -1 90 255.275 2 ↓
Lo Low (pH 4.5-6) -0.22 2.18 -55.02 1 6 0 92 256.283 2 ↓

Parameters Provided:

ring.id = 78855
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 = 78855 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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