Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_in8sk9a0c1g9c74pvor0b9ins3, 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-4-[(2-methylthiazol-4-yl)methyl]-1,2,4-triazole-3-thiol 5-methyl-4-[(2-methylthiazol-4-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) 0.01 5.68 -9.88 1 4 0 47 226.33 2 ↓
Mid Mid (pH 6-8) 0.74 5.79 -46.64 0 4 -1 44 225.322 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-ethyl-4-[(2-methylthiazol-4-yl)methyl]-1,2,4-triazole-3-thiol 5-ethyl-4-[(2-methylthiazol-4-yl…

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) 0.59 6.45 -9.41 1 4 0 47 240.357 3 ↓
Mid Mid (pH 6-8) 1.31 6.4 -46.72 0 4 -1 44 239.349 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-isopropyl-4-[(2-methylthiazol-4-yl)methyl]-1,2,4-triazole-3-thiol 5-isopropyl-4-[(2-methylthiazol-…

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) 1.07 6.68 -16.45 1 4 0 47 254.384 3 ↓
Mid Mid (pH 6-8) 1.80 6.77 -55.71 0 4 -1 44 253.376 3 ↓

Parameters Provided:

ring.id = 580840
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 = 580840 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=580840&filter.purchasability=annotated

Embed Link to Results