UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36129721
36129721
32025569
32025569
32024663
32024663
37042442
37042442
1743178
1743178

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(cyclopropylamino)-N-(2-hydroxyethyl)-N-(1-methyl-4-piperidyl)propanamide 3-(cyclopropylamino)-N-(2-hydrox…

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) -0.13 4.42 -79.8 4 5 2 62 271.405 7 ↓

Analogs

58938552
58938552

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(cyclopropylamino)-N-(2-dimethylaminoethyl)-N-(1-methyl-4-piperidyl)propanamide 3-(cyclopropylamino)-N-(2-dimeth…

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) 0.54 8.68 -166.59 4 5 3 46 299.483 8 ↓

Parameters Provided:

ring.id = 579864
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 = 579864 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=579864&filter.purchasability=annotated

Embed Link to Results