UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

6664853
6664853
6664857
6664857

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-7-methyl-2,5-dioxo-N-(2-pyridyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide (7R)-7-methyl-2,5-dioxo-N-(2-pyr…

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) 1.27 4.96 -20.14 2 6 0 92 297.314 2 ↓
Hi High (pH 8-9.5) 1.73 4.82 -61.67 1 6 -1 95 296.306 2 ↓

Analogs

6664853
6664853
6664857
6664857

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-7-methyl-2,5-dioxo-N-(2-pyridyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide (7S)-7-methyl-2,5-dioxo-N-(2-pyr…

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) 1.27 4.96 -20.14 2 6 0 92 297.314 2 ↓
Hi High (pH 8-9.5) 1.73 4.82 -61.65 1 6 -1 95 296.306 2 ↓

Parameters Provided:

ring.id = 586677
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 = 586677 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=586677&filter.purchasability=annotated

Embed Link to Results