UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[4-[2-(3,4-dimethoxyphenyl)ethylamino]-4-(4,4-dimethyl-2,6-dioxo-cyclohexylidene)butyl]isoindoline 2-[4-[2-(3,4-dimethoxyphenyl)eth…

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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) 4.31 11.49 -55.51 0 8 -1 110 517.602 10 ↓
Mid Mid (pH 6-8) 3.72 0.5 -45.22 1 8 1 106 519.618 10 ↓
Lo Low (pH 4.5-6) 4.31 10.92 -23.13 1 8 0 107 518.61 10 ↓

Analogs

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Popular Name: 2-[4-(4,4-dimethyl-2,6-dioxo-cyclohexylidene)-4-(phenethylamino)butyl]isoindoline-1,3-dione 2-[4-(4,4-dimethyl-2,6-dioxo-cyc…

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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) 4.66 12.23 -53.73 0 6 -1 92 457.55 8 ↓
Mid Mid (pH 6-8) 4.08 0.13 -38.77 1 6 1 87 459.566 8 ↓
Lo Low (pH 4.5-6) 4.66 11.56 -19.24 1 6 0 89 458.558 8 ↓

Parameters Provided:

ring.id = 100763
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 = 100763 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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