UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-Chloro-9-[(4-methylphenyl)methyl]-n-phenyl-purin-6-amine 2-Chloro-9-[(4-methylphenyl)meth…

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50129-1-O Human Rhinovirus 4 (cluster #1 Of 1), Other Other 6400 0.29 Functional ≤ 10μM
Z50622-1-O Human Rhinovirus 1B (cluster #1 Of 2), Other Other 1000 0.34 Functional ≤ 10μM
Z50674-1-O Human Rhinovirus 2 (cluster #1 Of 1), Other Other 3900 0.30 Functional ≤ 10μM

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) 5.85 -0.04 -11.66 1 5 0 55 349.825 4 ↓

Parameters Provided:

annotation.name = Z50129
anotation.type = F10
page.format = summary
page.num = 1
filter.purchasability = purchasable

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 note AS n ON ci.sub_id_fk=n.sub_id_fk INNER JOIN annotation AS a ON n.anno_id_fk=a.anno_id  WHERE c.free = 1 AND a.short_desc LIKE 'Z50129' AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?annotation.name=Z50129&filter.purchasability=purchasable

Embed Link to Results