Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_5rdcpjiqvjuqf6ncp4dukmkrl0, 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

36533564
36533564
39284019
39284019
39284020
39284020
44608503
44608503
44608504
44608504

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,3R,4R,5S,6S)-3,4-diacetoxy-6-bromo-5-(1,3-dioxoisoindolin-2-yl)tetrahydropyran-2-yl]methyl [(2R,3R,4R,5S,6S)-3,4-diacetoxy-…

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) 2.25 12.07 -18.38 0 10 0 127 498.282 8 ↓

Analogs

44608503
44608503
44608504
44608504
22053092
22053092
22053096
22053096

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,3R,4R,5S,6S)-3,4-diacetoxy-6-bromo-5-(1,3-dioxoisoindolin-2-yl)tetrahydropyran-2-yl]methyl [(2S,3R,4R,5S,6S)-3,4-diacetoxy-…

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) 2.25 9.39 -17.73 0 10 0 127 498.282 8 ↓

Analogs

39284019
39284019
39284020
39284020
44608503
44608503
44608504
44608504
22053092
22053092

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,3R,4R,5S,6R)-3,4-diacetoxy-6-bromo-5-(1,3-dioxoisoindolin-2-yl)tetrahydropyran-2-yl]methyl [(2R,3R,4R,5S,6R)-3,4-diacetoxy-…

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) 2.25 12.03 -17.81 0 10 0 127 498.282 8 ↓

Parameters Provided:

ring.id = 4398
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 = 4398 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=4398&filter.purchasability=annotated

Embed Link to Results