UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[2-[2-(3-methoxyphenyl)ethyl]-4-methyl-phenyl]-4,4-dimethyl-5H-oxazole 2-[2-[2-(3-methoxyphenyl)ethyl]-…

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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) 4.88 9.47 -6.23 0 3 0 31 323.436 5 ↓
Mid Mid (pH 6-8) 4.88 9.1 -26.88 1 3 1 32 324.444 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[2-(3-ethylphenyl)ethyl]-4-methyl-phenyl]-4,4-dimethyl-5H-oxazole 2-[2-[2-(3-ethylphenyl)ethyl]-4-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 5.74 11.59 -4.53 0 2 0 22 321.464 5 ↓
Mid Mid (pH 6-8) 5.74 11.23 -27.45 1 2 1 23 322.472 5 ↓

Parameters Provided:

ring.id = 198067
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 = 198067 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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