UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4Z)-2-(2,5-dimethyl-3-furyl)-4-[(5-methyl-2-thienyl)methylene]oxazol-5-one (4Z)-2-(2,5-dimethyl-3-furyl)-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) 2.82 8.29 -9.96 0 4 0 56 287.34 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4E)-2-(2,5-dimethyl-3-furyl)-4-[(5-methyl-2-thienyl)methylene]oxazol-5-one (4E)-2-(2,5-dimethyl-3-furyl)-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) 2.82 7.57 -9.5 0 4 0 56 287.34 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4Z)-2-(2,5-dimethyl-3-furyl)-4-[(3-methyl-2-thienyl)methylene]oxazol-5-one (4Z)-2-(2,5-dimethyl-3-furyl)-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) 2.98 8.08 -9.8 0 4 0 56 287.34 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4E)-2-(2,5-dimethyl-3-furyl)-4-[(3-methyl-2-thienyl)methylene]oxazol-5-one (4E)-2-(2,5-dimethyl-3-furyl)-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) 2.98 7.44 -9.16 0 4 0 56 287.34 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4Z)-2-(2,5-dimethyl-3-furyl)-4-(2-thienylmethylene)oxazol-5-one (4Z)-2-(2,5-dimethyl-3-furyl)-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) 2.60 7.47 -9.77 0 4 0 56 273.313 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4E)-2-(2,5-dimethyl-3-furyl)-4-(2-thienylmethylene)oxazol-5-one (4E)-2-(2,5-dimethyl-3-furyl)-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) 2.60 6.75 -9.11 0 4 0 56 273.313 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4Z)-4-[(4-bromo-2-thienyl)methylene]-2-(2,5-dimethyl-3-furyl)oxazol-5-one (4Z)-4-[(4-bromo-2-thienyl)methy…

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) 3.34 8.09 -8.95 0 4 0 56 352.209 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4E)-4-[(4-bromo-2-thienyl)methylene]-2-(2,5-dimethyl-3-furyl)oxazol-5-one (4E)-4-[(4-bromo-2-thienyl)methy…

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) 3.34 7.37 -7.87 0 4 0 56 352.209 2 ↓

Parameters Provided:

ring.id = 20689
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 = 20689 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=20689&filter.purchasability=annotated

Embed Link to Results