UCSF
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Analogs

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Popular Name: N-[(4S)-4-methyl-2,5-dioxo-4-phenethyl-imidazolidin-1-yl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7 N-[(4S)-4-methyl-2,5-dioxo-4-phe…

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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) 1.38 6.39 -25.55 3 8 0 108 438.509 5 ↓
Hi High (pH 8-9.5) 2.46 5.76 -57.59 2 8 -1 114 437.501 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4R)-4-methyl-2,5-dioxo-4-phenethyl-imidazolidin-1-yl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7 N-[(4R)-4-methyl-2,5-dioxo-4-phe…

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) 1.38 6.37 -25.5 3 8 0 108 438.509 5 ↓
Hi High (pH 8-9.5) 2.46 5.74 -57.44 2 8 -1 114 437.501 5 ↓

Parameters Provided:

ring.id = 144509
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 = 144509 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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