Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_7j8ikgnb96r86pdgtaoha0us14, 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

2355655
2355655

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[(5E)-4-oxo-2-thioxo-5-[(3,4,5-trimethoxyphenyl)methylene]thiazo N-(5-ethyl-1,3,4-thiadiazol-2-yl…

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) 1.60 8.48 -25.25 1 9 0 105 494.62 9 ↓

Analogs

16945595
16945595
39885916
39885916

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(5E)-5-[(2-chlorophenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]-N-(5-methyl-1,3,4-thiadiazol- 3-[(5E)-5-[(2-chlorophenyl)methy…

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) 2.03 -2.74 -18.62 1 6 0 77 424.96 5 ↓

Analogs

3194988
3194988
39885913
39885913

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[5-[(3-methoxyphenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl 3-[5-[(3-methoxyphenyl)methylene…

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) 1.43 -2.32 -22.51 1 7 0 86 420.541 6 ↓

Parameters Provided:

ring.id = 81353
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 = 81353 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=81353&filter.purchasability=annotated

Embed Link to Results