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Popular Name: 2,2-bis[(1S)-1-(1H-indol-3-yl)-2-nitro-ethyl]cyclohexane-1,3-dione 2,2-bis[(1S)-1-(1H-indol-3-yl)-2…

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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) 2.69 12.52 -20.96 2 10 0 157 488.5 8 ↓
Hi High (pH 8-9.5) 2.41 12.87 -64.27 2 10 -1 163 487.492 7 ↓
Hi High (pH 8-9.5) 2.13 13.36 -116.79 2 10 -2 169 486.484 6 ↓

Parameters Provided:

ring.id = 228742
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 = 228742 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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