UCSF
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Analogs

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Popular Name: [3-[(3aR,7aR)-5-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]phenyl] [3-[(3aR,7aR)-5-methyl-1,3-dioxo…

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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) 4.56 12.69 -11.18 0 8 0 110 406.394 5 ↓
Ref Reference (pH 7) 4.56 12.69 -11.15 0 8 0 110 406.394 5 ↓
Ref Reference (pH 7) 4.56 12.69 -12.59 0 8 0 110 406.394 5 ↓

Analogs

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Popular Name: 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)phenyl 4-bromobenzoate 3-(1,3-dioxo-1,3,3a,4,7,7a-hexah…

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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) 4.86 11.96 -9.68 0 5 0 64 426.266 4 ↓

Parameters Provided:

ring.id = 41840
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 = 41840 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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