Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_inuh0806b09smab0kooq3aj2j6, 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

11998125
11998125

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-phenyl-2-pyrrolidin-1-yl-ethyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide N-[(2S)-2-phenyl-2-pyrrolidin-1-…

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) 2.08 -4.26 -54.55 2 7 1 88 428.534 6 ↓

Analogs

11998119
11998119

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-phenyl-2-pyrrolidin-1-yl-ethyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide N-[(2R)-2-phenyl-2-pyrrolidin-1-…

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) 2.08 -4.31 -52.94 2 7 1 88 428.534 6 ↓

Analogs

11998633
11998633

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-(2-chloro-6-fluoro-phenyl)-2-pyrrolidin-1-yl-ethyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)b N-[(2S)-2-(2-chloro-6-fluoro-phe…

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) 2.82 -4.42 -48.93 2 7 1 88 480.969 6 ↓

Analogs

11998630
11998630

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(2-chloro-6-fluoro-phenyl)-2-pyrrolidin-1-yl-ethyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)b N-[(2R)-2-(2-chloro-6-fluoro-phe…

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) 2.82 -3.47 -44.14 2 7 1 88 480.969 6 ↓

Parameters Provided:

ring.id = 68772
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 = 68772 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=68772&filter.purchasability=annotated

Embed Link to Results