UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4167372
4167372

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopentyl-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide N-cyclopentyl-2-[(3-phenyl-1,2,4…

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) 3.68 -3.67 -11.73 1 4 0 54 319.455 5 ↓

Analogs

4167283
4167283

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopentyl-2-[[3-(p-tolyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide N-cyclopentyl-2-[[3-(p-tolyl)-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) 4.13 -3.35 -11.61 1 4 0 54 333.482 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopentyl-2-[[3-(o-tolyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide N-cyclopentyl-2-[[3-(o-tolyl)-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) 4.08 7.3 -12.79 1 4 0 55 333.482 5 ↓

Parameters Provided:

ring.id = 246194
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 = 246194 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=246194&filter.purchasability=annotated

Embed Link to Results