Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_nor0n7o58cpsgpkdhq5hlpub56, 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

3666284
3666284
3666285
3666285

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[3,4-bis(benzyloxy)benzylidene]-2-(4-chlorophenyl)-1,3-oxazol-5(4H)-one 4-[3,4-bis(benzyloxy)benzylidene…

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) 6.83 2.4 -12.05 1 0 0 61 495.962 5 ↓

Analogs

4851711
4851711
6090058
6090058

Draw Identity 99% 90% 80% 70%

Popular Name: 4-{3,4-bis[(2-methylbenzyl)oxy]benzylidene}-2-(3-methylphenyl)-1,3-oxazol-5(4H)-one 4-{3,4-bis[(2-methylbenzyl)oxy]b…

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) 7.37 2.34 -15.04 2 0 0 61 503.598 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-{3,4-bis[(2-methylbenzyl)oxy]benzylidene}-2-phenyl-1,3-oxazol-5(4H)-one 4-{3,4-bis[(2-methylbenzyl)oxy]b…

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) 6.95 2.02 -15.04 0 5 0 61 489.571 8 ↓

Analogs

4851721
4851721

Draw Identity 99% 90% 80% 70%

Popular Name: 4-{3,4-bis[(2-methylbenzyl)oxy]benzylidene}-2-(4-tert-butylphenyl)-1,3-oxazol-5(4H)-one 4-{3,4-bis[(2-methylbenzyl)oxy]b…

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) 8.66 3.17 -14.14 0 5 0 61 545.679 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[3,4-bis(benzyloxy)benzylidene]-2-(3-iodophenyl)-1,3-oxazol-5(4H)-one 4-[3,4-bis(benzyloxy)benzylidene…

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) 7.21 1.72 -13.05 0 5 0 61 587.413 8 ↓

Analogs

5703301
5703301

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[3,4-bis(benzyloxy)benzylidene]-2-(2-bromophenyl)-1,3-oxazol-5(4H)-one 4-[3,4-bis(benzyloxy)benzylidene…

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) 6.91 2.48 -13.4 0 5 0 61 540.413 8 ↓

Parameters Provided:

ring.id = 230421
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 = 230421 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=230421&filter.purchasability=annotated

Embed Link to Results