UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

13747856
13747856

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-6-(difluoromethyl)-4-(1-methylpyrazol-4-yl)thieno[5,4-b]pyridine-2-carboxamide 3-amino-6-(difluoromethyl)-4-(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) 1.57 1.38 -11.83 4 6 0 100 323.328 3 ↓
Lo Low (pH 4.5-6) 1.57 1.63 -36.98 5 6 1 101 324.336 3 ↓

Analogs

13747857
13747857

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-6-(difluoromethyl)-4-(1-ethylpyrazol-4-yl)thieno[5,4-b]pyridine-2-carboxamide 3-amino-6-(difluoromethyl)-4-(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) 1.95 2.25 -11.59 4 6 0 100 337.355 4 ↓
Lo Low (pH 4.5-6) 1.95 2.5 -36.73 5 6 1 101 338.363 4 ↓

Parameters Provided:

ring.id = 254885
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 = 254885 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=254885&filter.purchasability=annotated

Embed Link to Results