Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_0b1nlaftdo7tjk8ton7iippim5, 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

41537027
41537027
60229630
60229630
60229632
60229632
60229635
60229635
60229639
60229639

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,4R,5S,6R)-6-(2-thiazol-2-ylethylcarbamoyl)bicyclo[2.2.1]hept-2-ene-5-carboxylic (1S,4R,5S,6R)-6-(2-thiazol-2-yle…

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) 1.13 5.67 -53.77 1 5 -1 82 291.352 5 ↓
Lo Low (pH 4.5-6) 1.13 3.91 -18.14 2 5 0 79 292.36 5 ↓

Analogs

60229630
60229630
60229632
60229632
60229635
60229635
60229639
60229639
41537023
41537023

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,4R,5S,6S)-6-(2-thiazol-2-ylethylcarbamoyl)bicyclo[2.2.1]hept-2-ene-5-carboxylic (1S,4R,5S,6S)-6-(2-thiazol-2-yle…

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) 1.13 5.4 -43.43 1 5 -1 82 291.352 5 ↓
Lo Low (pH 4.5-6) 1.13 3.45 -11.63 2 5 0 79 292.36 5 ↓

Parameters Provided:

ring.id = 391335
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 = 391335 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=391335&filter.purchasability=annotated

Embed Link to Results