Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_7rfd3d00pbutck56qatm40bsi5, 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

41584337
41584337
41584463
41584463

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-6-hydroxy-4-methyl-2-[(1-methylindol-3-yl)methylene]-7-(morpholinomethyl)benzofuran-3-one (2Z)-6-hydroxy-4-methyl-2-[(1-me…

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) 3.37 7.41 -11.95 1 6 0 68 404.466 3 ↓
Hi High (pH 8-9.5) 3.37 8 -45.19 0 6 -1 71 403.458 3 ↓
Lo Low (pH 4.5-6) 3.37 9.71 -51.16 2 6 1 69 405.474 3 ↓

Analogs

41584192
41584192
41584338
41584338
41584464
41584464
41510697
41510697

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(1-ethylindol-3-yl)methylene]-6-hydroxy-4-methyl-7-(morpholinomethyl)benzofuran-3-one (2Z)-2-[(1-ethylindol-3-yl)methy…

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) 3.75 8.33 -11.58 1 6 0 68 418.493 4 ↓
Hi High (pH 8-9.5) 3.75 8.92 -45.01 0 6 -1 71 417.485 4 ↓
Lo Low (pH 4.5-6) 3.75 10.63 -51.35 2 6 1 69 419.501 4 ↓

Analogs

41584339
41584339
41584465
41584465

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-6-hydroxy-2-[(5-methoxy-1-methyl-indol-3-yl)methylene]-4-methyl-7-(morpholinomethyl)benzofuran- (2Z)-6-hydroxy-2-[(5-methoxy-1-m…

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) 3.40 6.7 -13.96 1 7 0 77 434.492 4 ↓
Hi High (pH 8-9.5) 3.40 7.29 -47.21 0 7 -1 80 433.484 4 ↓
Lo Low (pH 4.5-6) 3.40 9 -54.24 2 7 1 78 435.5 4 ↓

Analogs

41584194
41584194
41584340
41584340
41584466
41584466
41510705
41510705

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-6-hydroxy-4-methyl-7-(morpholinomethyl)benzofuran-3 (2Z)-2-[(1-ethyl-5-methoxy-indol…

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) 3.78 7.62 -13.6 1 7 0 77 448.519 5 ↓
Hi High (pH 8-9.5) 3.78 8.21 -46.89 0 7 -1 80 447.511 5 ↓
Lo Low (pH 4.5-6) 3.78 9.92 -54.41 2 7 1 78 449.527 5 ↓

Parameters Provided:

ring.id = 538008
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 = 538008 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=538008&filter.purchasability=annotated

Embed Link to Results