UCSF
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Analogs

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Popular Name: (5R)-3-(1,3-benzothiazol-2-ylmethyl)spiro[imidazolidine-5,1'-indane]-2,4-quinone (5R)-3-(1,3-benzothiazol-2-ylmet…

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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) 2.65 7.35 -13.23 1 5 0 62 349.415 2 ↓
Ref Reference (pH 7) 2.28 4.1 -11.81 1 5 0 66 349.415 2 ↓

Analogs

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Popular Name: (5S)-3-(1,3-benzothiazol-2-ylmethyl)spiro[imidazolidine-5,1'-indane]-2,4-quinone (5S)-3-(1,3-benzothiazol-2-ylmet…

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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) 2.65 7.35 -14.53 1 5 0 62 349.415 2 ↓
Ref Reference (pH 7) 2.28 4.09 -12.76 1 5 0 66 349.415 2 ↓

Parameters Provided:

ring.id = 245782
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 = 245782 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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