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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (E)-3-(4-butylphenyl)-3-cyclobutyl-prop-2-enoic (E)-3-(4-butylphenyl)-3-cyclobut…

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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) 4.32 11.75 -49.03 0 2 -1 40 257.353 6 ↓
Lo Low (pH 4.5-6) 4.32 9.73 -4.06 1 2 0 37 258.361 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-cyclobutyl-3-(4-propoxyphenyl)prop-2-enoic (E)-3-cyclobutyl-3-(4-propoxyphe…

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) 3.39 9.8 -48.32 0 3 -1 49 259.325 6 ↓
Lo Low (pH 4.5-6) 3.39 7.74 -5.02 1 3 0 47 260.333 6 ↓

Parameters Provided:

ring.id = 27451
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 = 27451 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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