Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_leck01hgu6hb2vs6ugg5ei1cb0, 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: 4-amino-N-methyl-N-(2-pyridylmethyl)-1,2,5-oxadiazole-3-carboxamide 4-amino-N-methyl-N-(2-pyridylmet…

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) -0.09 2.35 -6.81 2 7 0 98 233.231 3 ↓
Lo Low (pH 4.5-6) -0.09 2.87 -36.4 3 7 1 99 234.239 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-isopropyl-N-(2-pyridylmethyl)-1,2,5-oxadiazole-3-carboxamide 4-amino-N-isopropyl-N-(2-pyridyl…

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) 0.58 4.14 -5.74 2 7 0 98 261.285 4 ↓
Lo Low (pH 4.5-6) 0.58 4.83 -32.56 3 7 1 99 262.293 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-(2-methoxyethyl)-N-(2-pyridylmethyl)-1,2,5-oxadiazole-3-carboxamide 4-amino-N-(2-methoxyethyl)-N-(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) -0.11 3 -7.84 2 8 0 107 277.284 6 ↓
Lo Low (pH 4.5-6) -0.11 3.53 -38.88 3 8 1 109 278.292 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(6-methyl-2-pyridyl)methyl]-1,2,5-oxadiazole-3-carboxamide 4-amino-N-[(6-methyl-2-pyridyl)m…

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) -0.28 0.55 -7.64 3 7 0 107 233.231 3 ↓
Lo Low (pH 4.5-6) -0.28 0.92 -35.79 4 7 1 108 234.239 3 ↓

Parameters Provided:

ring.id = 122783
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 = 122783 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=122783&filter.purchasability=annotated

Embed Link to Results