Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_qs1mjnrbc78oq14i9a8pr9ctm4, 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: 1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-ylmethyl)cyclohexanol 1-(6,8-dihydro-5H-pyrido[3,4-d]p…

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) 1.42 6.31 -40.13 2 4 1 50 248.35 2 ↓
Hi High (pH 8-9.5) 1.42 4.57 -6.11 1 4 0 49 247.342 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-(cyclohexylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine 7-(cyclohexylmethyl)-6,8-dihydro…

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) 2.37 8.77 -42.38 1 3 1 30 232.351 2 ↓
Hi High (pH 8-9.5) 2.37 6.87 -4.7 0 3 0 29 231.343 2 ↓

Parameters Provided:

ring.id = 355615
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 = 355615 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=355615&filter.purchasability=annotated

Embed Link to Results