Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_p14020t85iomnhv9a5laq3r2a2, 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

12401905
12401905
20470337
20470337

Draw Identity 99% 90% 80% 70%

Popular Name: 1,5-diphenyl-3,7-bis[(1S)-1-phenylethyl]-3,7-diazabicyclo[3.3.1]nonan-9-one 1,5-diphenyl-3,7-bis[(1S)-1-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) 6.51 18.57 -6.35 0 3 0 24 500.686 6 ↓
Lo Low (pH 4.5-6) 6.51 19.8 -38.71 1 3 1 25 501.694 6 ↓
Lo Low (pH 4.5-6) 6.51 19.77 -37.69 1 3 1 25 501.694 6 ↓

Analogs

20470337
20470337
12401904
12401904

Draw Identity 99% 90% 80% 70%

Popular Name: 1,5-diphenyl-3,7-bis[(1R)-1-phenylethyl]-3,7-diazabicyclo[3.3.1]nonan-9-one 1,5-diphenyl-3,7-bis[(1R)-1-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) 6.51 17.53 -6.87 0 3 0 24 500.686 6 ↓
Lo Low (pH 4.5-6) 6.51 19.37 -36.99 1 3 1 25 501.694 6 ↓

Parameters Provided:

ring.id = 100521
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 = 100521 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=100521&filter.purchasability=annotated

Embed Link to Results