UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4168183
4168183
6328262
6328262
6328264
6328264
6328589
6328589
6328595
6328595

Draw Identity 99% 90% 80% 70%

Popular Name: (1-Adamantan-1-yl-ethyl)-pyridin-3-yl-methyl-amine hydrochloride (1-Adamantan-1-yl-ethyl)-pyridin…

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) 3.53 -0.21 -44.18 2 2 1 29 271.428 4 ↓
Lo Low (pH 4.5-6) 3.53 -0.1 -109.89 3 2 2 30 272.436 4 ↓

Analogs

6328262
6328262
6328264
6328264
6328589
6328589
6328595
6328595
21793567
21793567

Draw Identity 99% 90% 80% 70%

Popular Name: (1-Adamantan-1-yl-ethyl)-pyridin-3-yl-methyl-amine hydrochloride (1-Adamantan-1-yl-ethyl)-pyridin…

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) 3.53 -0.21 -44.14 2 2 1 29 271.428 4 ↓
Lo Low (pH 4.5-6) 3.53 -0.1 -110.2 3 2 2 30 272.436 4 ↓

Parameters Provided:

ring.id = 246460
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 = 246460 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=246460&filter.purchasability=annotated

Embed Link to Results