Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_5eje051rlvhlhm4a2g1aonskc4, 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: (2E,6S)-2-[(E)-[3-(1,3-benzodioxol-5-yl)-1-methyl-propylidene]hydrazono]-4-oxo-N-phenyl-1,3-thiazina (2E,6S)-2-[(E)-[3-(1,3-benzodiox…

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) 3.28 8.35 -17.9 2 8 0 101 438.509 6 ↓
Mid Mid (pH 6-8) 3.28 7.38 -51.66 1 8 -1 103 437.501 7 ↓
Mid Mid (pH 6-8) 3.28 7.46 -25.73 2 8 0 101 438.509 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2E,6R)-2-[(E)-[3-(1,3-benzodioxol-5-yl)-1-methyl-propylidene]hydrazono]-4-oxo-N-phenyl-1,3-thiazina (2E,6R)-2-[(E)-[3-(1,3-benzodiox…

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) 3.28 8.33 -17.88 2 8 0 101 438.509 6 ↓
Mid Mid (pH 6-8) 3.28 7.38 -51.59 1 8 -1 103 437.501 7 ↓
Mid Mid (pH 6-8) 3.28 7.46 -26.07 2 8 0 101 438.509 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2E,6S)-2-[(E)-[3-(1,3-benzodioxol-5-yl)-1-methyl-propylidene]hydrazono]-N-(4-chlorophenyl)-4-oxo-1, (2E,6S)-2-[(E)-[3-(1,3-benzodiox…

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) 3.95 8.87 -18.19 2 8 0 101 472.954 6 ↓
Mid Mid (pH 6-8) 3.95 7.9 -50.13 1 8 -1 103 471.946 7 ↓
Mid Mid (pH 6-8) 3.95 7.98 -25.87 2 8 0 101 472.954 7 ↓

Parameters Provided:

ring.id = 145555
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 = 145555 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=145555&filter.purchasability=annotated

Embed Link to Results