UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

3170824
3170824
13860717
13860717

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-benzylsulfanylethyl)-2-(4-fluorophenoxy)pyridine-3-carboxamide N-(2-benzylsulfanylethyl)-2-(4-f…

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) 4.22 10.34 -16.7 1 4 0 51 382.46 8 ↓

Analogs

41864129
41864129
3170824
3170824
4299967
4299967
2141702
2141702

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-benzylsulfanylethyl)-2-(2,4-dimethylphenoxy)pyridine-3-carboxamide N-(2-benzylsulfanylethyl)-2-(2,4…

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) 4.88 11.52 -18.31 1 4 0 51 392.524 8 ↓

Parameters Provided:

ring.id = 602558
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 = 602558 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=602558&filter.purchasability=annotated

Embed Link to Results