UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12537277
12537277

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Popular Name: (2S)-2-(7-methoxy-1,3-benzodioxol-5-yl)-2,3-dihydro-1H-quinazolin-4-one (2S)-2-(7-methoxy-1,3-benzodioxo…

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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) 2.05 3.37 -17.81 2 6 0 69 298.298 2 ↓

Analogs

12537276
12537276

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Popular Name: (2R)-2-(7-methoxy-1,3-benzodioxol-5-yl)-2,3-dihydro-1H-quinazolin-4-one (2R)-2-(7-methoxy-1,3-benzodioxo…

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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) 2.05 3.37 -17.35 2 6 0 69 298.298 2 ↓

Analogs

12537355
12537355

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Popular Name: (2S)-2-(7-chloro-1,3-benzodioxol-5-yl)-2,3-dihydro-1H-quinazolin-4-one (2S)-2-(7-chloro-1,3-benzodioxol…

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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) 2.87 4.59 -13.99 2 5 0 60 302.717 1 ↓

Analogs

12537354
12537354

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Popular Name: (2R)-2-(7-chloro-1,3-benzodioxol-5-yl)-2,3-dihydro-1H-quinazolin-4-one (2R)-2-(7-chloro-1,3-benzodioxol…

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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) 2.87 4.6 -13.91 2 5 0 60 302.717 1 ↓

Parameters Provided:

ring.id = 104301
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 = 104301 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=104301&filter.purchasability=annotated

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