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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: [5-bromo-3'-(4-hydroxyphenyl)-2,4'-dioxo-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidin]-5'-yl]acetic acid [5-bromo-3'-(4-hydroxyphenyl)-2,…

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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) 2.19 4.73 -60.5 2 7 -1 110 448.274 3 ↓
Hi High (pH 8-9.5) 2.19 5.52 -103.51 1 7 -2 113 447.266 3 ↓
Lo Low (pH 4.5-6) 2.19 3.61 -18.96 3 7 0 107 449.282 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-bromo-3'-(4-hydroxyphenyl)-2,4'-dioxo-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidin]-5'-yl]acetic acid [5-bromo-3'-(4-hydroxyphenyl)-2,…

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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) 2.19 4.53 -60.17 2 7 -1 110 448.274 3 ↓
Hi High (pH 8-9.5) 2.19 5.31 -102.5 1 7 -2 113 447.266 3 ↓
Lo Low (pH 4.5-6) 2.19 3.41 -20.1 3 7 0 107 449.282 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-bromo-3'-(4-hydroxyphenyl)-2,4'-dioxo-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidin]-5'-yl]acetic acid [5-bromo-3'-(4-hydroxyphenyl)-2,…

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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) 2.19 4.51 -59.96 2 7 -1 110 448.274 3 ↓
Hi High (pH 8-9.5) 2.19 5.3 -102.38 1 7 -2 113 447.266 3 ↓
Lo Low (pH 4.5-6) 2.19 3.39 -20.16 3 7 0 107 449.282 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-bromo-3'-(4-hydroxyphenyl)-2,4'-dioxo-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidin]-5'-yl]acetic acid [5-bromo-3'-(4-hydroxyphenyl)-2,…

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) 2.19 4.71 -60.42 2 7 -1 110 448.274 3 ↓
Hi High (pH 8-9.5) 2.19 5.49 -103.61 1 7 -2 113 447.266 3 ↓
Lo Low (pH 4.5-6) 2.19 3.59 -19.05 3 7 0 107 449.282 3 ↓

Parameters Provided:

ring.id = 128684
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 = 128684 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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