UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-dimethylaminophenyl)-2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]acetamide N-(4-dimethylaminophenyl)-2-[(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) 3.51 0.42 -19.05 1 5 0 50 340.423 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-diethylamino-2-methyl-phenyl)-2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]acetamide N-(4-diethylamino-2-methyl-pheny…

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) 4.64 1.42 -18.6 1 5 0 50 382.504 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[4-[[2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]acetyl]amino]phenyl]prop-2-enoic (E)-3-[4-[[2-[(2,2-dimethyl-3H-b…

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) 3.38 9.09 -68.69 1 6 -1 88 366.393 6 ↓

Analogs

26059766
26059766

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-acetamido-2-methoxy-phenyl)-2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]acetamide N-(5-acetamido-2-methoxy-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) 2.62 6.54 -21.25 2 7 0 86 384.432 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-2-(2,2-dimethylcoumaran-7-yl)oxy-acetamide N-(4-chloro-2-methoxy-5-methyl-p…

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) 4.45 0.66 -16.14 1 5 0 56 375.852 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,4-difluoro-5-nitro-phenyl)-2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]acetamide N-(2,4-difluoro-5-nitro-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) 3.55 9.07 -20.71 1 7 0 93 378.331 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]-N-[4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]phenyl]aceta 2-[(2,2-dimethyl-3H-benzofuran-7…

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) 3.62 8.49 -24.76 2 6 0 77 436.43 8 ↓

Parameters Provided:

ring.id = 5499
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 = 5499 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=5499&filter.purchasability=annotated

Embed Link to Results