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

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: isopropyl(methyl)dispiro[BLAH]dione isopropyl(methyl)dispiro[BLAH]dione

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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) 2.76 7.89 -35.94 2 4 1 51 327.448 1 ↓
Mid Mid (pH 6-8) 2.76 5.66 -9.53 1 4 0 49 326.44 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: isopropyl(methyl)dispiro[BLAH]dione isopropyl(methyl)dispiro[BLAH]dione

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) 2.76 7.62 -29.95 2 4 1 51 327.448 1 ↓
Mid Mid (pH 6-8) 2.76 5.39 -7.32 1 4 0 49 326.44 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: isopropyl(methyl)dispiro[BLAH]dione isopropyl(methyl)dispiro[BLAH]dione

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) 2.76 8.44 -33.69 2 4 1 51 327.448 1 ↓
Mid Mid (pH 6-8) 2.76 6.07 -7.25 1 4 0 49 326.44 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: isopropyl(methyl)dispiro[BLAH]dione isopropyl(methyl)dispiro[BLAH]dione

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) 2.76 9.71 -40.58 2 4 1 51 327.448 1 ↓
Mid Mid (pH 6-8) 2.76 7.33 -12.74 1 4 0 49 326.44 1 ↓

Parameters Provided:

ring.id = 543685
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 = 543685 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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