UCSF
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Popular Name: 3-[3-[2-[(8-nitro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)amino]-2-oxo-ethyl]sulfanyl-5-oxo-4H-1,2,4-t 3-[3-[2-[(8-nitro-3,4-dihydro-2H…

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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) 0.92 3.67 -109.13 1 13 -2 195 449.401 8 ↓
Lo Low (pH 4.5-6) 0.47 5.16 -55.57 2 13 -1 192 450.409 8 ↓

Parameters Provided:

ring.id = 132511
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 = 132511 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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