UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-N-(1-ethyl-2-oxo-indolin-5-yl)benzenesulfonamide 4-ethyl-N-(1-ethyl-2-oxo-indolin…

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) 3.39 7.2 -13.32 1 5 0 66 344.436 5 ↓
Hi High (pH 8-9.5) 3.39 7.28 -41.32 0 5 -1 69 343.428 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-ethyl-N-(1-ethyl-2-oxo-indolin-5-yl)-2-methoxy-benzenesulfonamide 5-ethyl-N-(1-ethyl-2-oxo-indolin…

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) 3.37 7.08 -15.13 1 6 0 76 374.462 6 ↓
Hi High (pH 8-9.5) 3.37 7.15 -46.31 0 6 -1 78 373.454 6 ↓

Analogs

9572725
9572725

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-N-(1-methyl-2-oxo-indolin-5-yl)benzenesulfonamide 4-ethyl-N-(1-methyl-2-oxo-indoli…

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) 3.01 6.41 -13.37 1 5 0 66 330.409 4 ↓
Hi High (pH 8-9.5) 3.01 6.48 -40.29 0 5 -1 69 329.401 4 ↓

Parameters Provided:

ring.id = 11895
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 = 11895 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=11895&filter.purchasability=annotated

Embed Link to Results