UCSF
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Analogs

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Popular Name: 4-hydroxy-2-methyl-N-(4-methylthiazol-2-yl)-1,1-dioxo-benzo[e]thiazine-3-carboxamide 4-hydroxy-2-methyl-N-(4-methylth…

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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) 1.58 3.07 -18.39 1 7 0 100 351.409 1 ↓
Hi High (pH 8-9.5) 3.16 1.96 -54.76 1 7 -1 106 350.401 1 ↓
Mid Mid (pH 6-8) 1.98 3.61 -58.49 1 7 -1 106 350.401 1 ↓

Analogs

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Popular Name: (3R)-1,1,4-trioxo-2,3-dihydrobenzo[e]thiazine-3-carboxylic (3R)-1,1,4-trioxo-2,3-dihydroben…

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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) -1.88 1.21 -50.98 1 6 -1 103 240.216 1 ↓
Mid Mid (pH 6-8) -1.88 0.24 -122.93 0 6 -2 105 239.208 1 ↓

Analogs

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Popular Name: (3S)-1,1,4-triketo-2-methyl-3H-benzo[e]thiazine-3-carboxylic-acid-methyl-ester (3S)-1,1,4-triketo-2-methyl-3H-b…

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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) 0.44 -1.89 -13.24 0 6 0 80 269.278 2 ↓

Analogs

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Popular Name: 1-[5-(4-hydroxy-1,1-dioxo-2H-benzo[e]thiazin-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-one 1-[5-(4-hydroxy-1,1-dioxo-2H-ben…

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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) -0.25 -1.07 -52.85 0 8 -1 121 320.306 3 ↓
Mid Mid (pH 6-8) -0.25 0.19 -21.25 1 8 0 119 321.314 3 ↓

Parameters Provided:

ring.id = 62066
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 = 62066 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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