Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_0ttbiq7if3shkn3fncoo5lshq0, 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: (2-methyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-5-yl)-(3,4,5-trimethoxyphenyl)methanone (2-methyl-6,7-dihydro-4H-thiazol…

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) 1.10 5.59 -13.39 0 6 0 61 348.424 4 ↓

Analogs

41194432
41194432

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(methoxymethyl)-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-5-yl]-phenyl-methanone [2-(methoxymethyl)-6,7-dihydro-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) 1.44 5.5 -12.98 0 4 0 42 288.372 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(methoxymethyl)-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-5-yl]-(o-tolyl)methanone [2-(methoxymethyl)-6,7-dihydro-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) 1.84 6.17 -11.85 0 4 0 42 302.399 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(methoxymethyl)-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-5-yl]-(m-tolyl)methanone [2-(methoxymethyl)-6,7-dihydro-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) 1.86 6.21 -12.62 0 4 0 42 302.399 3 ↓

Analogs

41194423
41194423

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(methoxymethyl)-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-5-yl]-(p-tolyl)methanone [2-(methoxymethyl)-6,7-dihydro-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) 1.89 6.22 -12.3 0 4 0 42 302.399 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-fluorophenyl)-[2-(methoxymethyl)-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-5-yl]methanone (2-fluorophenyl)-[2-(methoxymeth…

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) 1.55 5.59 -16.95 0 4 0 42 306.362 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(methoxymethyl)-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-5-yl]-(2-methoxyphenyl)methanone [2-(methoxymethyl)-6,7-dihydro-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) 2.00 5.69 -16.09 0 5 0 52 318.398 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(methoxymethyl)-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-5-yl]-(4-methoxyphenyl)methanone [2-(methoxymethyl)-6,7-dihydro-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) 1.50 4.8 -13.72 0 5 0 52 318.398 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3,5-dimethoxyphenyl)-[2-(methoxymethyl)-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-5-yl]methanone (3,5-dimethoxyphenyl)-[2-(methox…

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) 1.48 4.1 -13.82 0 6 0 61 348.424 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-chlorophenyl)-[2-(methoxymethyl)-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-5-yl]methanone (4-chlorophenyl)-[2-(methoxymeth…

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) 2.12 6.02 -11.9 0 4 0 42 322.817 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(methoxymethyl)-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-5-yl]-(2,3,4-trifluorophenyl)methanone [2-(methoxymethyl)-6,7-dihydro-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) 1.79 5.72 -18.78 0 4 0 42 342.342 3 ↓

Parameters Provided:

ring.id = 520798
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 = 520798 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=520798&filter.purchasability=annotated

Embed Link to Results