Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_r7grnnbl6ti0a5k8auvgt0qd07, 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

12002338
12002338
12002342
12002342
12002344
12002344
55408524
55408524
56998219
56998219

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,7aR)-4-(4-chlorophenyl)-1-cyclohexyl-6,6-dioxo-4a,5,7,7a-tetrahydro-2H-thieno[3,4-e]pyrazin-3-o (4aS,7aR)-4-(4-chlorophenyl)-1-c…

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) 3.07 -3.96 -65 1 5 1 59 383.921 2 ↓

Analogs

12002342
12002342
12002344
12002344
55408524
55408524
56998219
56998219
56998222
56998222

Draw Identity 99% 90% 80% 70%

Popular Name: (4aR,7aR)-4-(4-chlorophenyl)-1-cyclohexyl-6,6-dioxo-4a,5,7,7a-tetrahydro-2H-thieno[3,4-e]pyrazin-3-o (4aR,7aR)-4-(4-chlorophenyl)-1-c…

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) 3.07 -4.19 -62.12 1 5 1 59 383.921 2 ↓

Analogs

12002344
12002344
55408524
55408524
56998219
56998219
56998222
56998222
56998223
56998223

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,7aS)-4-(4-chlorophenyl)-1-cyclohexyl-6,6-dioxo-4a,5,7,7a-tetrahydro-2H-thieno[3,4-e]pyrazin-3-o (4aS,7aS)-4-(4-chlorophenyl)-1-c…

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) 3.07 -4.19 -62.89 1 5 1 59 383.921 2 ↓

Analogs

55408524
55408524
56998219
56998219
56998222
56998222
56998223
56998223
11998897
11998897

Draw Identity 99% 90% 80% 70%

Popular Name: (4aR,7aS)-4-(4-chlorophenyl)-1-cyclohexyl-6,6-dioxo-4a,5,7,7a-tetrahydro-2H-thieno[3,4-e]pyrazin-3-o (4aR,7aS)-4-(4-chlorophenyl)-1-c…

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) 3.07 -3.95 -65.07 1 5 1 59 383.921 2 ↓

Parameters Provided:

ring.id = 64771
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 = 64771 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=64771&filter.purchasability=annotated

Embed Link to Results