Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_qu1lvpdd1aog2v7fdt0l99e352, 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

52269942
52269942
52269945
52269945
52269948
52269948
52269951
52269951

Draw Identity 99% 90% 80% 70%

Popular Name: 1,1-dicyclopropyl-N-[(5-methyl-2-furyl)methyl]methanamine 1,1-dicyclopropyl-N-[(5-methyl-2…

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) 2.70 7.87 -34.14 2 2 1 30 206.309 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,1-dicyclopropyl-N-[(5-nitro-2-furyl)methyl]methanamine 1,1-dicyclopropyl-N-[(5-nitro-2-…

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) 2.56 7.78 -49.34 2 5 1 76 237.279 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,1-dicyclopropyl-N-[[5-(difluoromethylsulfanylmethyl)-2-furyl]methyl]methanamine 1,1-dicyclopropyl-N-[[5-(difluor…

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) 3.77 9.51 -38.22 2 2 1 30 288.383 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,1-dicyclopropyl-N-[(5-iodo-2-furyl)methyl]methanamine 1,1-dicyclopropyl-N-[(5-iodo-2-f…

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) 3.69 8.28 -37.38 2 2 1 30 318.178 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,1-dicyclopropyl-N-[[5-(methylsulfanylmethyl)-2-furyl]methyl]methanamine 1,1-dicyclopropyl-N-[[5-(methyls…

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) 3.22 9.12 -37 2 2 1 30 252.403 7 ↓

Parameters Provided:

ring.id = 26413
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 = 26413 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=26413&filter.purchasability=annotated

Embed Link to Results