Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_o65fd5d5bomjosugg7qj7570q5, 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

445950
445950

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-methyl-2-pyridyl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide N-(5-methyl-2-pyridyl)-2-[(5-phe…

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) 2.78 8.1 -15.49 2 6 0 84 325.397 5 ↓
Hi High (pH 8-9.5) 2.78 7.9 -52.74 1 6 -1 82 324.389 5 ↓

Analogs

5866050
5866050

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,5-dichloro-6-methyl-2-pyridyl)-2-[[5-(4-ethylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl]acetamide N-(3,5-dichloro-6-methyl-2-pyrid…

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) 4.92 10.52 -10.98 2 6 0 84 422.341 6 ↓
Hi High (pH 8-9.5) 4.92 10.32 -47.06 1 6 -1 82 421.333 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(5-chloro-2-methoxy-phenyl)-4H-1,2,4-triazol-3-yl]sulfanyl]-N-[3-chloro-5-(trifluoromethyl)-2- 2-[[5-(5-chloro-2-methoxy-phenyl…

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) 4.50 9.1 -12.86 2 7 0 93 478.283 7 ↓

Parameters Provided:

ring.id = 1757
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 = 1757 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=1757&filter.purchasability=annotated

Embed Link to Results