UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

64007070
64007070
12570635
12570635
12570640
12570640

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(cyclohexylmethyl)-7-[[[(3S)-quinuclidin-3-yl]amino]methyl]-[1,3]dioxolo[4,5-g]quinolin-6-one 5-(cyclohexylmethyl)-7-[[[(3S)-q…

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) 3.97 10.09 -36.08 2 6 1 57 424.565 5 ↓
Lo Low (pH 4.5-6) 3.97 11.03 -112.47 3 6 2 62 425.573 5 ↓

Analogs

64007070
64007070
12570635
12570635
12570640
12570640

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(cyclohexylmethyl)-7-[[[(3R)-quinuclidin-3-yl]amino]methyl]-[1,3]dioxolo[4,5-g]quinolin-6-one 5-(cyclohexylmethyl)-7-[[[(3R)-q…

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) 3.97 10 -46.53 2 6 1 57 424.565 5 ↓
Lo Low (pH 4.5-6) 3.97 11.02 -121.27 3 6 2 62 425.573 5 ↓

Parameters Provided:

ring.id = 139501
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 = 139501 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=139501&filter.purchasability=annotated

Embed Link to Results