UCSF
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Analogs

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Popular Name: (4R)-N-[(3-methylisoxazol-5-yl)methyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-[(3-methylisoxazol-5-yl)m…

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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) 1.53 6.72 -47.96 2 3 1 43 249.359 3 ↓
Hi High (pH 8-9.5) 1.53 5.52 -8.34 1 3 0 38 248.351 3 ↓

Analogs

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Popular Name: (4S)-N-[(3-methylisoxazol-5-yl)methyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-[(3-methylisoxazol-5-yl)m…

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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) 1.53 6.72 -47.31 2 3 1 43 249.359 3 ↓
Hi High (pH 8-9.5) 1.53 5.63 -8.6 1 3 0 38 248.351 3 ↓

Parameters Provided:

ring.id = 210779
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 = 210779 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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