Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_aqotmccef11fa7n186s38hhcs0, 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

2791705
2791705
2791937
2791937
2792071
2792071
2792371
2792371
2792597
2792597

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(E)-[3-[(2-benzylphenoxy)methyl]-4-methoxy-benzylidene]amino]-5-(difluoromethyl)-1,2,4-triazole-3 4-[(E)-[3-[(2-benzylphenoxy)meth…

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) 5.80 14.93 -49.56 0 6 -1 62 479.532 9 ↓
Lo Low (pH 4.5-6) 5.08 15.09 -16.7 1 6 0 64 480.54 9 ↓

Analogs

2791705
2791705
2791937
2791937
2792371
2792371
2792597
2792597
2790338
2790338

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(E)-[3-[(2-benzylphenoxy)methyl]-4-methoxy-benzylidene]amino]-5-(trifluoromethyl)-1,2,4-triazole- 4-[(E)-[3-[(2-benzylphenoxy)meth…

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) 6.16 15.08 -44.14 0 6 -1 62 497.522 9 ↓

Parameters Provided:

ring.id = 237386
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 = 237386 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=237386&filter.purchasability=annotated

Embed Link to Results