UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36233236
36233236

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-N-(4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)pyridine-3-sulfonamide 5-bromo-N-(4,5,6,7-tetrahydrothi…

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) 2.65 2.15 -60.26 3 6 1 92 376.281 2 ↓
Hi High (pH 8-9.5) 1.72 0.27 -41.89 1 6 -1 86 374.265 3 ↓
Mid Mid (pH 6-8) 1.72 1.68 -60.9 2 6 0 91 375.273 3 ↓

Parameters Provided:

ring.id = 6607
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 = 6607 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=6607&filter.purchasability=annotated

Embed Link to Results