UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

45616422
45616422
45616425
45616425
45616428
45616428
45616431
45616431
70517503
70517503

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(2-phenoxyethoxymethyl)piperidine (2S)-2-(2-phenoxyethoxymethyl)pi…

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) 2.57 6.07 -36.38 2 3 1 35 236.335 6 ↓

Analogs

45616422
45616422
45616425
45616425
45616428
45616428
45616431
45616431
70517503
70517503

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(2-phenoxyethoxymethyl)piperidine (2R)-2-(2-phenoxyethoxymethyl)pi…

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) 2.57 6.07 -34.18 2 3 1 35 236.335 6 ↓

Parameters Provided:

ring.id = 46238
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 = 46238 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=46238&filter.purchasability=annotated

Embed Link to Results