Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_dcrc8sacj92gcn0rrd7dts1oc3, 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: N-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]-1,1-dioxo-thian-4-amine N-[(4-methoxy-3,5-dimethyl-2-pyr…

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) 1.32 2.37 -58.23 2 5 1 73 299.416 4 ↓
Hi High (pH 8-9.5) 1.32 1.18 -14.02 1 5 0 68 298.408 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(6-methoxy-2-pyridyl)methyl]-1,1-dioxo-thian-4-amine N-[(6-methoxy-2-pyridyl)methyl]-…

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) 0.51 0.33 -61.99 2 5 1 73 271.362 4 ↓
Mid Mid (pH 6-8) 0.51 -0.88 -15.85 1 5 0 68 270.354 4 ↓

Parameters Provided:

ring.id = 89646
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 = 89646 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=89646&filter.purchasability=annotated

Embed Link to Results