UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-methylsulfanylphenyl)-3-[2-oxo-5-(2-thienyl)-1,3,4-oxadiazol-3-yl]-propanamide N-(4-methylsulfanylphenyl)-3-[2-…

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) 2.61 -2.21 -12.53 1 6 0 77 361.448 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(difluoromethoxy)-4-methoxy-phenyl]-3-[2-oxo-5-(2-thienyl)-1,3,4-oxadiazol-3-yl]propanamide N-[3-(difluoromethoxy)-4-methoxy…

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) 2.38 4.01 -16.78 1 8 0 96 411.386 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-acetamido-2-methyl-phenyl)-3-[2-oxo-5-(2-thienyl)-1,3,4-oxadiazol-3-yl]propanamide N-(3-acetamido-2-methyl-phenyl)-…

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) 1.75 4.42 -23.05 2 8 0 106 386.433 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-acetamido-2-fluoro-phenyl)-3-[2-oxo-5-(2-thienyl)-1,3,4-oxadiazol-3-yl]propanamide N-(5-acetamido-2-fluoro-phenyl)-…

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) 1.49 3.52 -16.94 2 8 0 106 390.396 6 ↓

Analogs

21676077
21676077
12803770
12803770

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-ethyl-6-methyl-phenyl)-3-[2-oxo-5-(2-thienyl)-1,3,4-oxadiazol-3-yl]propanamide N-(2-ethyl-6-methyl-phenyl)-3-[2…

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) 2.51 6.91 -11.35 1 6 0 77 357.435 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-(dimethylsulfamoyl)-2-methoxy-phenyl]-3-[2-oxo-5-(2-thienyl)-1,3,4-oxadiazol-3-yl]propanamide N-[5-(dimethylsulfamoyl)-2-metho…

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) 1.48 1.97 -19.86 1 10 0 124 452.514 8 ↓

Analogs

21707306
21707306

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-chloro-2-methoxy-phenyl)-3-[2-oxo-5-(2-thienyl)-1,3,4-oxadiazol-3-yl]propanamide N-(5-chloro-2-methoxy-phenyl)-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) 2.84 4.48 -12.62 1 7 0 86 379.825 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-oxo-5-(2-thienyl)-1,3,4-oxadiazol-3-yl]-N-[2-(2,2,2-trifluoroethoxy)phenyl]propanamide 3-[2-oxo-5-(2-thienyl)-1,3,4-oxa…

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 5.37 -13.14 1 7 0 86 413.377 8 ↓

Parameters Provided:

ring.id = 85411
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 = 85411 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=85411&filter.purchasability=annotated

Embed Link to Results