Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_3jl58kt4os586evnabt7d31vc2, 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

35894830
35894830
35894836
35894836
35894838
35894838
35894840
35894840
35894842
35894842

Draw Identity 99% 90% 80% 70%

Popular Name: (4aR,5S)-3-methyl-N-(2-morpholinoethyl)-8-nitro-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-car (4aR,5S)-3-methyl-N-(2-morpholin…

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) 1.20 6.03 -54.24 2 9 1 95 404.491 5 ↓
Mid Mid (pH 6-8) 1.20 3.61 -14.17 1 9 0 94 403.483 5 ↓
Mid Mid (pH 6-8) 1.20 8.29 -104.29 3 9 2 96 405.499 5 ↓

Analogs

35894836
35894836
35894838
35894838
35894840
35894840
35894842
35894842
35894562
35894562

Draw Identity 99% 90% 80% 70%

Popular Name: (4aR,5S)-3-isopropyl-N-(2-morpholinoethyl)-8-nitro-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5- (4aR,5S)-3-isopropyl-N-(2-morpho…

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) 1.87 7.21 -50.72 2 9 1 95 432.545 6 ↓
Mid Mid (pH 6-8) 1.87 9.49 -101.75 3 9 2 96 433.553 6 ↓
Mid Mid (pH 6-8) 1.87 4.76 -13.46 1 9 0 94 431.537 6 ↓

Parameters Provided:

ring.id = 42047
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 = 42047 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=42047&filter.purchasability=annotated

Embed Link to Results