Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_q559rph0glbr4cubre7icsfsv2, 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

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3-fluorophenyl)-5-[(1-isopropylimidazol-2-yl)methyl]-6,7-dihydro-4H-isoxazolo[4,5-c]pyridine 3-(3-fluorophenyl)-5-[(1-isoprop…

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) 2.54 9.23 -41.68 1 5 1 48 341.41 4 ↓
Hi High (pH 8-9.5) 2.54 8.81 -11.63 0 5 0 47 340.402 4 ↓
Lo Low (pH 4.5-6) 2.54 11.46 -120.1 2 5 2 50 342.418 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3,4-difluorophenyl)-5-[(1-propylimidazol-2-yl)methyl]-6,7-dihydro-4H-isoxazolo[4,5-c]pyridine 3-(3,4-difluorophenyl)-5-[(1-pro…

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) 2.80 9.97 -43.81 1 5 1 48 359.4 5 ↓
Hi High (pH 8-9.5) 2.80 9.53 -11.72 0 5 0 47 358.392 5 ↓
Mid Mid (pH 6-8) 2.80 10.95 -51.43 1 5 1 48 359.4 5 ↓

Parameters Provided:

ring.id = 526461
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 = 526461 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=526461&filter.purchasability=annotated

Embed Link to Results