UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[1-(2-morpholinoethyl)indol-5-yl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide N-[1-(2-morpholinoethyl)indol-5-…

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) 1.20 1.2 -46.72 2 10 -1 128 433.448 5 ↓
Lo Low (pH 4.5-6) 1.20 3.46 -82.19 3 10 0 129 434.456 5 ↓
Lo Low (pH 4.5-6) 0.74 5.41 -60.5 4 10 1 126 435.464 5 ↓

Parameters Provided:

ring.id = 503762
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 = 503762 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=503762&filter.purchasability=annotated

Embed Link to Results