Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_vliso9uema89flc192efadnra4, 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: N-[1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-1-methyl-ethyl]-2,4-dimethyl-thiazole-5-carboxamide N-[1-(5-tert-butyl-1,2,4-oxadiaz…

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) 2.44 3.59 -8.23 1 6 0 81 322.434 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-1-methyl-ethyl]-2-isopropyl-4-methyl-thiazole-5-carboxamide N-[1-(5-tert-butyl-1,2,4-oxadiaz…

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) 3.50 4.94 -7.37 1 6 0 81 350.488 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-butyl-N-[1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-1-methyl-ethyl]-4-methyl-thiazole-5-carboxamide 2-butyl-N-[1-(5-tert-butyl-1,2,4…

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) 4.08 5.89 -7.48 1 6 0 81 364.515 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-1-methyl-ethyl]-4-methyl-2-propyl-thiazole-5-carboxamide N-[1-(5-tert-butyl-1,2,4-oxadiaz…

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) 3.52 5.11 -7.44 1 6 0 81 350.488 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-1-methyl-ethyl]-4-methyl-thiazole-5-carboxamide N-[1-(5-tert-butyl-1,2,4-oxadiaz…

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) 2.73 2.86 -8.15 1 6 0 81 308.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-tert-butyl-N-[1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-1-methyl-ethyl]thiazole-5-carboxamide 2-tert-butyl-N-[1-(5-tert-butyl-…

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) 3.95 4.84 -7.83 1 6 0 81 350.488 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-1-methyl-ethyl]-2-ethyl-thiazole-5-carboxamide N-[1-(5-tert-butyl-1,2,4-oxadiaz…

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 3.74 -7.9 1 6 0 81 322.434 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-tert-butyl-N-[1-methyl-1-(5-propyl-1,2,4-oxadiazol-3-yl)ethyl]thiazole-5-carboxamide 2-tert-butyl-N-[1-methyl-1-(5-pr…

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) 3.30 4.48 -8.06 1 6 0 81 336.461 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-1-methyl-ethyl]-2-methyl-thiazole-5-carboxamide N-[1-(5-tert-butyl-1,2,4-oxadiaz…

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) 2.22 2.98 -8.41 1 6 0 81 308.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(ethylamino)-N,4-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiazole-5-carboxamide 2-(ethylamino)-N,4-dimethyl-N-[(…

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) 0.60 2.4 -13.92 1 7 0 84 295.368 5 ↓

Parameters Provided:

ring.id = 360169
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 = 360169 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=360169&filter.purchasability=annotated

Embed Link to Results