UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(1,3-dioxoisoindolin-2-yl)-1-methyl-pyrazole-4-carboxylic 5-(1,3-dioxoisoindolin-2-yl)-1-m…

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) 1.30 5.91 -64.35 0 7 -1 97 270.224 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-5-(5-methyl-1,3-dioxo-isoindolin-2-yl)pyrazole-4-carboxylic 1-methyl-5-(5-methyl-1,3-dioxo-i…

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) 1.72 7.41 -61.94 0 7 -1 97 284.251 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(5-bromo-1,3-dioxo-isoindolin-2-yl)-1-methyl-pyrazole-4-carboxylic 5-(5-bromo-1,3-dioxo-isoindolin-…

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) 2.08 7.35 -57.26 0 7 -1 97 349.12 2 ↓

Parameters Provided:

ring.id = 46935
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 = 46935 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=46935&filter.purchasability=annotated

Embed Link to Results