Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_9f7d3scn6s48jq696kfrjs8fp3, 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

8871981
8871981

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-(1-acetyl-5-bromo-2-oxo-indolin-3-ylidene)-2-(2,3-dimethylanilino)thiazol-4-one (5E)-5-(1-acetyl-5-bromo-2-oxo-i…

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) 5.83 11.09 -39.97 0 6 -1 83 469.34 2 ↓
Mid Mid (pH 6-8) 5.83 11.69 -14.66 1 6 0 81 470.348 2 ↓

Analogs

8871669
8871669

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-(1-acetyl-2-oxo-indolin-3-ylidene)-2-(2,3-dichloroanilino)thiazol-4-one (5E)-5-(1-acetyl-2-oxo-indolin-3…

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) 5.50 10.13 -37.78 0 6 -1 83 431.28 2 ↓
Lo Low (pH 4.5-6) 5.50 10.86 -14.22 1 6 0 81 432.288 2 ↓

Analogs

39869675
39869675
39869778
39869778
39869881
39869881
39870186
39870186
5373303
5373303

Draw Identity 99% 90% 80% 70%

Popular Name: (3Z)-3-[(2Z)-2-(4-hydroxyphenyl)imino-4-oxo-thiazolidin-5-ylidene]-1-methyl-indolin-2-one (3Z)-3-[(2Z)-2-(4-hydroxyphenyl)…

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) 3.51 4.87 -44.57 1 6 -1 86 350.379 2 ↓
Ref Reference (pH 7) 4.46 3.14 -47.92 1 6 -1 91 350.379 1 ↓
Mid Mid (pH 6-8) 4.00 4.96 -10.58 2 6 0 87 351.387 1 ↓

Analogs

5772434
5772434
8821921
8821921
33913111
33913111
33929246
33929246
33937932
33937932

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-3-{2-[(4-bromophenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene}-1,3-dihydro-2H-indol-2-one 5-bromo-3-{2-[(4-bromophenyl)imi…

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) 5.51 6.95 -37.87 1 5 -1 77 478.145 2 ↓
Ref Reference (pH 7) 6.00 7.01 -7.88 2 5 0 78 479.153 1 ↓
Ref Reference (pH 7) 6.00 7.44 -7.59 2 5 0 78 479.153 1 ↓

Parameters Provided:

ring.id = 18887
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 = 18887 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=18887&filter.purchasability=annotated

Embed Link to Results