Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_kn7kl8lj95mc17dhofsvkuaq15, 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: 1-tetrahydropyran-4-yl-1,2,4-triazol-3-amine 1-tetrahydropyran-4-yl-1,2,4-tri…

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) -0.36 4 -7.97 2 5 0 66 168.2 1 ↓
Lo Low (pH 4.5-6) -0.36 4.52 -34.01 3 5 1 67 169.208 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-tetrahydropyran-4-yl-1,2,4-triazole-3-carbonitrile 1-tetrahydropyran-4-yl-1,2,4-tri…

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) -0.31 3.85 -8.39 0 5 0 64 178.195 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1-tetrahydropyran-4-yl-1,2,4-triazol-3-yl)methanamine (1-tetrahydropyran-4-yl-1,2,4-tr…

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) -0.88 1.56 -41.85 3 5 1 68 183.235 2 ↓
Hi High (pH 8-9.5) -0.88 1.16 -7.6 2 5 0 66 182.227 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-tetrahydropyran-4-yl-1,2,4-triazole-3-carbothioamide 1-tetrahydropyran-4-yl-1,2,4-tri…

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) -0.26 2.97 -14.09 2 5 0 66 212.278 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-tetrahydropyran-4-yl-1,2,4-triazole 1-tetrahydropyran-4-yl-1,2,4-tri…

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) -0.17 4.41 -6.72 0 4 0 40 153.185 1 ↓

Parameters Provided:

ring.id = 262314
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 = 262314 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=262314&filter.purchasability=annotated

Embed Link to Results