UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2R)-3-cyclopropyl-2-[2-(3-pyridylmethoxy)phenyl]-1,2-dihydroquinazolin-4-one (2R)-3-cyclopropyl-2-[2-(3-pyrid…

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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) 2.88 10.51 -11.49 1 5 0 54 371.44 5 ↓
Lo Low (pH 4.5-6) 2.88 10.98 -52.13 2 5 1 56 372.448 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-cyclopropyl-2-[2-(3-pyridylmethoxy)phenyl]-1,2-dihydroquinazolin-4-one (2S)-3-cyclopropyl-2-[2-(3-pyrid…

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) 2.88 10.82 -12.03 1 5 0 54 371.44 5 ↓
Lo Low (pH 4.5-6) 2.88 11.28 -50.65 2 5 1 56 372.448 5 ↓

Parameters Provided:

ring.id = 138910
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 = 138910 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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