Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_nltboqrohkmf710jj7e2dkpf27, 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

41536737
41536737

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,4R,5S,6R)-6-(1H-pyrrol-2-ylmethylcarbamoyl)bicyclo[2.2.1]hept-2-ene-5-carboxylic (1S,4R,5S,6R)-6-(1H-pyrrol-2-ylm…

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) 1.21 5.5 -45.77 2 5 -1 85 259.285 4 ↓
Lo Low (pH 4.5-6) 1.21 3.74 -13.49 3 5 0 82 260.293 4 ↓

Analogs

41536733
41536733

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,4R,5S,6S)-6-(1H-pyrrol-2-ylmethylcarbamoyl)bicyclo[2.2.1]hept-2-ene-5-carboxylic (1S,4R,5S,6S)-6-(1H-pyrrol-2-ylm…

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) 1.21 5.25 -42.78 2 5 -1 85 259.285 4 ↓
Lo Low (pH 4.5-6) 1.21 3.3 -8.18 3 5 0 82 260.293 4 ↓

Parameters Provided:

ring.id = 545720
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 = 545720 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=545720&filter.purchasability=annotated

Embed Link to Results