UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

45653988
45653988
45653990
45653990
48232243
48232243
48232246
48232246
51810443
51810443

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3-dimethyl-N-[(3S)-quinuclidin-3-yl]pyrazolo[3,4-b]pyridin-5-amine 1,3-dimethyl-N-[(3S)-quinuclidin…

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) 2.34 6.58 -44.47 2 5 1 47 272.376 2 ↓

Analogs

45653988
45653988
45653990
45653990
48232243
48232243
48232246
48232246
51810443
51810443

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3-dimethyl-N-[(3R)-quinuclidin-3-yl]pyrazolo[3,4-b]pyridin-5-amine 1,3-dimethyl-N-[(3R)-quinuclidin…

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) 2.34 6.58 -44.55 2 5 1 47 272.376 2 ↓

Parameters Provided:

ring.id = 140239
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 = 140239 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=140239&filter.purchasability=annotated

Embed Link to Results