UCSF
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Analogs

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Popular Name: (3R)-3-[(6-amino-3-pyridyl)sulfanyl]tetrahydrofuran-2-one (3R)-3-[(6-amino-3-pyridyl)sulfa…

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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) -0.04 3.47 -11.8 2 4 0 65 210.258 2 ↓
Lo Low (pH 4.5-6) -0.04 3.94 -29.99 3 4 1 66 211.266 2 ↓

Analogs

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Popular Name: (3S)-3-[(6-amino-3-pyridyl)sulfanyl]tetrahydrofuran-2-one (3S)-3-[(6-amino-3-pyridyl)sulfa…

Find On: PubMed — Wikipedia — Google

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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) -0.04 3.47 -11.81 2 4 0 65 210.258 2 ↓
Lo Low (pH 4.5-6) -0.04 3.93 -29.98 3 4 1 66 211.266 2 ↓

Parameters Provided:

ring.id = 546011
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 = 546011 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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