Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_tph61g5sv2qhtnhujsv356fv54, 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

36569257
36569257
6638224
6638224

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-1-methyl-5-[(morpholinoamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione (5Z)-1-methyl-5-[(morpholinoamin…

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) -0.81 -0.36 -41.76 1 7 -1 82 269.306 2 ↓
Mid Mid (pH 6-8) -1.27 1.6 -8.63 2 7 0 79 270.314 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-1-butyl-5-[(morpholinoamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione (5Z)-1-butyl-5-[(morpholinoamino…

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) 0.63 2.21 -42.55 1 7 -1 82 311.387 5 ↓
Mid Mid (pH 6-8) 0.17 4.16 -8 2 7 0 79 312.395 5 ↓

Parameters Provided:

ring.id = 56893
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 = 56893 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=56893&filter.purchasability=annotated

Embed Link to Results