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Popular Name: (2R)-1-[benzyl(methyl)amino]-3-[2-methoxy-5-[[methyl(thiazol-2-ylmethyl)amino]methyl]phenoxy]propan- (2R)-1-[benzyl(methyl)amino]-3-[…

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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) 2.23 7.73 -49.35 2 6 1 59 442.605 12 ↓
Hi High (pH 8-9.5) 2.23 5.34 -13.74 1 6 0 58 441.597 12 ↓

Analogs

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Popular Name: (2S)-1-[benzyl(methyl)amino]-3-[2-methoxy-5-[[methyl(thiazol-2-ylmethyl)amino]methyl]phenoxy]propan- (2S)-1-[benzyl(methyl)amino]-3-[…

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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) 2.23 7.73 -50.59 2 6 1 59 442.605 12 ↓
Hi High (pH 8-9.5) 2.23 5.37 -13.75 1 6 0 58 441.597 12 ↓

Parameters Provided:

ring.id = 405784
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 = 405784 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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