UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

8964630
8964630

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2Z,5S)-2-[1-[2-[2-[[(1Z)-1-[(1R,5S)-6,6-dimethyl-3-oxo-2-bicyclo[3.1.0]hexanylidene]ethyl]amino] (1R,2Z,5S)-2-[1-[2-[2-[[(1Z)-1-[…

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) 5.81 10.43 -84.21 0 4 -2 71 446.682 9 ↓
Mid Mid (pH 6-8) 5.27 12.24 -41.1 1 4 -1 65 447.69 9 ↓
Lo Low (pH 4.5-6) 4.73 13.68 -12.81 2 4 0 58 448.698 9 ↓

Parameters Provided:

ring.id = 551329
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 = 551329 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=551329&filter.purchasability=annotated

Embed Link to Results