Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_5nsu40qk7deejqi42e9c4ul2o5, 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

6545942
6545942
6545952
6545952
6548031
6548031
6548041
6548041

Draw Identity 99% 90% 80% 70%

Popular Name: N-tert-butyl-keto-methyl-N'-phenyl-(3-pyridyl)BLAHdicarboxamide N-tert-butyl-keto-methyl-N'-phen…

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) 2.69 -2.57 -17.67 2 8 0 100 460.534 5 ↓

Analogs

4083301
4083301
4083304
4083304
4093086
4093086
4093087
4093087

Draw Identity 99% 90% 80% 70%

Popular Name: N-tert-butyl-N'-(2-fluorophenyl)-keto-methyl-(3-pyridyl)BLAHdicarboxamide N-tert-butyl-N'-(2-fluorophenyl)…

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) 2.81 -2.17 -19.95 2 8 0 100 478.524 5 ↓

Parameters Provided:

ring.id = 226030
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 = 226030 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=226030&filter.purchasability=annotated

Embed Link to Results