UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

53122849
53122849

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3E)-3-[(5S)-1-cyclopentyl-5-isopentyl-2,4-dioxo-3-piperidylidene]-1,1-dioxo-4H-benzo[e][1,2,4]th N-[(3E)-3-[(5S)-1-cyclopentyl-5-…

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) 2.47 4.95 -51.21 1 10 -1 144 523.657 7 ↓
Hi High (pH 8-9.5) 3.05 4.44 -216.41 0 10 -3 152 521.641 7 ↓
Mid Mid (pH 6-8) 3.05 4.74 -108.24 1 10 -2 150 522.649 7 ↓

Parameters Provided:

ring.id = 194581
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 = 194581 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=194581&filter.purchasability=annotated

Embed Link to Results