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Popular Name: (2R)-2-(1-methylimidazol-2-yl)sulfanyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-propanamide (2R)-2-(1-methylimidazol-2-yl)su…

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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) 3.95 9.35 -16.41 1 6 0 65 373.478 4 ↓
Lo Low (pH 4.5-6) 3.95 9.65 -44.51 2 6 1 67 374.486 4 ↓

Analogs

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Popular Name: (2S)-2-(1-methylimidazol-2-yl)sulfanyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-propanamide (2S)-2-(1-methylimidazol-2-yl)su…

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) 3.95 9.34 -13.3 1 6 0 65 373.478 4 ↓
Lo Low (pH 4.5-6) 3.95 9.64 -42.05 2 6 1 67 374.486 4 ↓

Parameters Provided:

ring.id = 125536
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 = 125536 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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