UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41371509
41371509
41371512
41371512
37468787
37468787
35661345
35661345
36227438
36227438

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-N-[[(3S)-tetrahydrofuran-3-yl]methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide N-ethyl-N-[[(3S)-tetrahydrofuran…

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) 2.11 6.16 -12.23 1 4 0 42 288.391 4 ↓

Analogs

41371509
41371509
41371512
41371512
37468787
37468787
35661345
35661345
36227438
36227438

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-N-[[(3R)-tetrahydrofuran-3-yl]methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide N-ethyl-N-[[(3R)-tetrahydrofuran…

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) 2.11 6.05 -10.66 1 4 0 42 288.391 4 ↓

Parameters Provided:

ring.id = 580311
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 = 580311 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=580311&filter.purchasability=annotated

Embed Link to Results