UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-[(1S)-2-imidazol-1-yl-1-methyl-ethyl]-2-sulfanyl-quinazolin-4-one 3-[(1S)-2-imidazol-1-yl-1-methyl…

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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) 1.08 9.91 -33.55 2 5 1 57 287.368 3 ↓
Mid Mid (pH 6-8) 1.08 9.4 -13.46 1 5 0 56 286.36 3 ↓
Mid Mid (pH 6-8) 1.81 9.62 -33.85 1 5 0 54 286.36 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1R)-2-imidazol-1-yl-1-methyl-ethyl]-2-sulfanyl-quinazolin-4-one 3-[(1R)-2-imidazol-1-yl-1-methyl…

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) 1.08 9.84 -31.53 2 5 1 57 287.368 3 ↓
Mid Mid (pH 6-8) 1.81 9.04 -41.76 0 5 -1 53 285.352 3 ↓
Mid Mid (pH 6-8) 1.08 9.33 -13.04 1 5 0 56 286.36 3 ↓

Parameters Provided:

ring.id = 544865
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 = 544865 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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