UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-aminothieno[2,3-b]pyridin-2-yl)(phenyl)methanone (3-aminothieno[2,3-b]pyridin-2-y…

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) 3.11 5.48 -11.62 2 3 0 56 254.314 2 ↓
Lo Low (pH 4.5-6) 3.11 5.9 -41.66 3 3 1 57 255.322 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)(2,4-dichlorophenyl)methanone (3-amino-4,6-dimethylthieno[2,3-…

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) 5.21 7.89 -8.89 2 3 0 56 351.258 2 ↓
Mid Mid (pH 6-8) 5.21 8.29 -34.15 3 3 1 57 352.266 2 ↓

Parameters Provided:

ring.id = 23289
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 = 23289 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=23289&filter.purchasability=annotated

Embed Link to Results