Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_dl21s9iqhpch7i7jbpokq9a7e2, 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

12030164
12030164
12440542
12440542
12440544
12440544
14978245
14978245
14978248
14978248

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-3-(1-ethyl-4-piperidyl)-7-(m-tolylmethyl)-3,7-diazaspiro[4.5]decan-6-one (5S)-3-(1-ethyl-4-piperidyl)-7-(…

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) 2.92 1.62 -97.14 2 4 2 29 371.569 4 ↓

Analogs

12440542
12440542
12440544
12440544
14978245
14978245
14978248
14978248
15062897
15062897

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-3-(1-ethyl-4-piperidyl)-7-(m-tolylmethyl)-3,7-diazaspiro[4.5]decan-6-one (5R)-3-(1-ethyl-4-piperidyl)-7-(…

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) 2.92 1.31 -104.59 2 4 2 29 371.569 4 ↓

Parameters Provided:

ring.id = 80081
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 = 80081 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=80081&filter.purchasability=annotated

Embed Link to Results