Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_ooct9ho3qo9ko05t9kekf1v8b0, 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: 5-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridin-3-amine 5-methyl-6-[(5-methyl-1,3,4-oxad…

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) 0.97 -0.94 -12.87 2 5 0 78 222.273 2 ↓
Lo Low (pH 4.5-6) 0.97 -0.42 -26.67 3 5 1 79 223.281 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-4-carboxylic 2-[(5-methyl-1,3,4-oxadiazol-2-y…

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) 0.81 1.17 -46.87 0 6 -1 92 236.232 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-tert-butyl-5-[(3-nitro-2-pyridyl)sulfanyl]-1,3,4-oxadiazole 2-tert-butyl-5-[(3-nitro-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) 2.58 3.1 -12.09 0 7 0 98 280.309 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-tert-butyl-5-[(5-nitro-2-pyridyl)sulfanyl]-1,3,4-oxadiazole 2-tert-butyl-5-[(5-nitro-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) 2.80 3.22 -11.93 0 7 0 98 280.309 4 ↓

Parameters Provided:

ring.id = 23138
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 = 23138 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=23138&filter.purchasability=annotated

Embed Link to Results