Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_ncm3q9og42j790aaae7u6a3114, 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: 7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile 7-(1,5-dimethylpyrazol-4-yl)pyra…

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) 0.53 5.68 -17.01 0 6 0 72 238.254 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-(1-ethyl-3-methyl-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile 7-(1-ethyl-3-methyl-pyrazol-4-yl…

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) 0.90 2.81 -14.54 0 6 0 71 252.281 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-(1-ethyl-5-methyl-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic-acid-ethyl-ester 7-(1-ethyl-5-methyl-pyrazol-4-yl…

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) 1.36 2.37 -19 0 7 0 74 299.334 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-(1,3-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic-acid-ethyl-ester 7-(1,3-dimethylpyrazol-4-yl)pyra…

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) 0.98 2.4 -16.75 0 7 0 74 285.307 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-(1-ethyl-5-methyl-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile 7-(1-ethyl-5-methyl-pyrazol-4-yl…

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) 0.90 2.76 -16.68 0 6 0 71 252.281 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic-acid-ethyl-ester 7-(1,5-dimethylpyrazol-4-yl)pyra…

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) 0.98 2.28 -19.25 0 7 0 74 285.307 4 ↓

Parameters Provided:

ring.id = 235838
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 = 235838 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=235838&filter.purchasability=annotated

Embed Link to Results