Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_rnj682j1o11le2vbhk7gb83cd7, 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

12918971
12918971

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(2,6-dimethylphenyl)amino]-2-oxo-ethyl]-N,6-dimethyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyrida N-[2-[(2,6-dimethylphenyl)amino]…

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) 3.23 12.95 -28.31 1 7 0 84 472.467 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(5-chloro-2-methoxy-phenyl)amino]-2-oxo-ethyl]-N,6-dimethyl-4-oxo-1-phenyl-pyridazine-3-carbox N-[2-[(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) 2.95 10.19 -27.29 1 8 0 94 440.887 6 ↓

Analogs

31471979
31471979

Draw Identity 99% 90% 80% 70%

Popular Name: N,6-dimethyl-4-oxo-N-[2-oxo-2-(p-tolylamino)ethyl]-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxa N,6-dimethyl-4-oxo-N-[2-oxo-2-(p…

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) 3.79 10.51 -35.31 1 7 0 84 458.44 6 ↓

Analogs

31471979
31471979

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(3-fluorophenyl)amino]-2-oxo-ethyl]-N,6-dimethyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine N-[2-[(3-fluorophenyl)amino]-2-o…

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) 3.49 10.01 -37.63 1 7 0 84 462.403 6 ↓

Analogs

31471979
31471979

Draw Identity 99% 90% 80% 70%

Popular Name: 6-methyl-4-oxo-N-[2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethyl]-1-[2-(trifluoromethyl)phenyl]pyridazi 6-methyl-4-oxo-N-[2-oxo-2-[(2,4,…

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) 3.37 11.22 -24.71 2 7 0 93 472.467 6 ↓

Parameters Provided:

ring.id = 40967
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 = 40967 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=40967&filter.purchasability=annotated

Embed Link to Results