UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

9158386
9158386
12861929
12861929

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(Z)-(6,7-dimethyl-3-oxo-benzofuran-2-ylidene)methyl]-2-methoxy-phenyl] [4-[(Z)-(6,7-dimethyl-3-oxo-benz…

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) 6.78 16.48 -12.44 0 5 0 66 462.586 8 ↓

Analogs

9158386
9158386
12861929
12861929

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(Z)-(5,7-dimethyl-3-oxo-benzofuran-2-ylidene)methyl]-2-methoxy-phenyl] [4-[(Z)-(5,7-dimethyl-3-oxo-benz…

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) 6.78 16.61 -12.3 0 5 0 66 462.586 8 ↓

Analogs

6756414
6756414
6624110
6624110
6624105
6624105
9158386
9158386

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(Z)-(4,6-dimethyl-3-oxo-benzofuran-2-ylidene)methyl]-2-methoxy-phenyl] [4-[(Z)-(4,6-dimethyl-3-oxo-benz…

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) 6.78 16.61 -12.24 0 5 0 66 462.586 8 ↓

Analogs

9158386
9158386
12861929
12861929

Draw Identity 99% 90% 80% 70%

Popular Name: [2-ethoxy-4-[(Z)-(3-oxobenzofuran-2-ylidene)methyl]phenyl] [2-ethoxy-4-[(Z)-(3-oxobenzofura…

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) 6.35 16.22 -12.56 0 5 0 66 448.559 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-ethoxy-4-[(Z)-(5-methyl-3-oxo-benzofuran-2-ylidene)methyl]phenyl] [2-ethoxy-4-[(Z)-(5-methyl-3-oxo…

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) 6.78 17.12 -12.26 0 5 0 66 462.586 9 ↓

Analogs

16742201
16742201
16742202
16742202
12861929
12861929

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(Z)-(5-chloro-3-oxo-benzofuran-2-ylidene)methyl]-2-ethoxy-phenyl] [4-[(Z)-(5-chloro-3-oxo-benzofur…

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) 7.01 16.96 -11.47 0 5 0 66 483.004 9 ↓

Analogs

12861929
12861929
9158386
9158386

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(Z)-(5-bromo-3-oxo-benzofuran-2-ylidene)methyl]-2-ethoxy-phenyl] [4-[(Z)-(5-bromo-3-oxo-benzofura…

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) 7.14 17.07 -11.3 0 5 0 66 527.455 9 ↓

Analogs

9158386
9158386
12861929
12861929

Draw Identity 99% 90% 80% 70%

Popular Name: [2-ethoxy-4-[(Z)-(5-ethyl-3-oxo-benzofuran-2-ylidene)methyl]phenyl] [2-ethoxy-4-[(Z)-(5-ethyl-3-oxo-…

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) 7.24 17.65 -12.1 0 5 0 66 476.613 10 ↓

Analogs

16742201
16742201
16742202
16742202
9158386
9158386

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(Z)-(5-chloro-6-methyl-3-oxo-benzofuran-2-ylidene)methyl]-2-ethoxy-phenyl] [4-[(Z)-(5-chloro-6-methyl-3-oxo…

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) 7.38 17.31 -11.26 0 5 0 66 497.031 9 ↓

Parameters Provided:

ring.id = 7064
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 = 7064 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=7064&filter.purchasability=annotated

Embed Link to Results