UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

3344213
3344213

Draw Identity 99% 90% 80% 70%

Popular Name: (3Z)-1-methyl-3-[(3-methyl-2-thienyl)methylene]indolin-2-one (3Z)-1-methyl-3-[(3-methyl-2-thi…

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) 3.48 8.91 -9.12 0 2 0 22 255.342 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(E)-(1-carbamoyl-6-chloro-5-fluoro-2-oxo-indolin-3-ylidene)-(2-thienyl)methoxy]methyl [(E)-(1-carbamoyl-6-chloro-5-flu…

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) 2.56 7.6 -9.3 4 8 0 127 481.933 8 ↓

Parameters Provided:

ring.id = 237710
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 = 237710 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=237710&filter.purchasability=annotated

Embed Link to Results