UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-Propanone, 1-[(5-pyrazinyl-1,3,4-oxadiazol-2-yl)thio]- (9CI) 2-Propanone, 1-[(5-pyrazinyl-1,3…

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) 0.24 -3.28 -12.11 0 6 0 81 236.256 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Acetamide, N,N-dimethyl-2-[(5-pyrazinyl-1,3,4-oxadiazol-2-yl)thio]- (9CI) Acetamide, N,N-dimethyl-2-[(5-py…

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) -0.39 -3.84 -12.94 0 7 0 85 265.298 4 ↓

Analogs

4890898
4890898

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide 2-[(5-pyrazin-2-yl-1,3,4-oxadiaz…

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) -0.20 -6.09 -13.13 2 7 0 107 251.271 4 ↓

Analogs

4890893
4890893

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide 2-[(5-pyrazin-2-yl-1,3,4-oxadiaz…

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) -0.20 -6.1 -13.05 2 7 0 107 251.271 4 ↓

Parameters Provided:

ring.id = 225261
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 = 225261 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=225261&filter.purchasability=annotated

Embed Link to Results