UCSF
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Analogs

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Popular Name: (2R)-3-(1,3-benzodioxol-5-yl)-2-(1H-imidazol-2-yl)-1,2-dihydroquinazolin-4-one (2R)-3-(1,3-benzodioxol-5-yl)-2-…

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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) 2.30 5.71 -17.48 2 7 0 79 334.335 2 ↓
Mid Mid (pH 6-8) 2.30 6.32 -41.48 3 7 1 81 335.343 2 ↓

Analogs

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Popular Name: (2S)-3-(1,3-benzodioxol-5-yl)-2-(1H-imidazol-2-yl)-1,2-dihydroquinazolin-4-one (2S)-3-(1,3-benzodioxol-5-yl)-2-…

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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) 2.30 5.7 -21.43 2 7 0 79 334.335 2 ↓
Mid Mid (pH 6-8) 2.30 6.34 -42.67 3 7 1 81 335.343 2 ↓

Parameters Provided:

ring.id = 494206
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 = 494206 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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