Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_ervp2mnnbc0vrcsgu7dlcbfk63, O_RDWR) failed: No such file or directory (2) in /domains/zinc12/htdocs/lib/zinc/user/ZincAuthentication.php on line 109

Warning: session_write_close() [function.session-write-close]: Failed to write session data (files). Please verify that the current setting of session.save_path is correct (/tmp/session) in /domains/zinc12/htdocs/lib/zinc/user/ZincAuthentication.php on line 109
Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-pyrimidin-2-ylsulfanylimidazo[1,2-a]pyridine-3-carboxylic 2-pyrimidin-2-ylsulfanylimidazo[…

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) 1.71 6.1 -64.98 0 6 -1 83 271.281 3 ↓
Lo Low (pH 4.5-6) 1.71 6.68 -46.8 1 6 0 84 272.289 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanylimidazo[1,2-a]pyridine-3-carboxylic 2-(4,6-diaminopyrimidin-2-yl)sul…

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) 1.36 3.59 -64.77 4 8 -1 135 301.311 3 ↓
Lo Low (pH 4.5-6) 1.36 4.18 -45.57 5 8 0 137 302.319 3 ↓

Parameters Provided:

ring.id = 615034
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 = 615034 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=615034&filter.purchasability=annotated

Embed Link to Results