UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-N-cyclopropyl-N-(2-hydroxyethyl)-3-methyl-benzofuran-2-carboxamide 5-chloro-N-cyclopropyl-N-(2-hydr…

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) 2.70 5.65 -7.41 1 4 0 54 293.75 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-7-fluoro-N-(2-hydroxyethyl)-3-methyl-benzofuran-2-carboxamide N-cyclopropyl-7-fluoro-N-(2-hydr…

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) 2.17 5.2 -8.63 1 4 0 54 277.295 4 ↓

Analogs

37853959
37853959
37854211
37854211

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-N-cyclopropyl-N-(2-hydroxyethyl)-3-methyl-benzofuran-2-carboxamide 5-bromo-N-cyclopropyl-N-(2-hydro…

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 5.76 -7.27 1 4 0 54 338.201 4 ↓

Analogs

42894080
42894080
42894114
42894114

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-N-(2-hydroxyethyl)benzofuran-2-carboxamide N-cyclopropyl-N-(2-hydroxyethyl)…

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) 1.67 4.46 -8.7 1 4 0 54 245.278 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-N-(2-hydroxyethyl)-3-methyl-benzofuran-2-carboxamide N-cyclopropyl-N-(2-hydroxyethyl)…

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) 2.05 5.14 -8.43 1 4 0 54 259.305 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-5-fluoro-N-(2-hydroxyethyl)-3-methyl-benzofuran-2-carboxamide N-cyclopropyl-5-fluoro-N-(2-hydr…

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) 1.22 5.2 -7.86 1 4 0 54 277.295 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyanomethyl)-N-cyclopropyl-3-methyl-benzofuran-2-carboxamide N-(cyanomethyl)-N-cyclopropyl-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) 2.47 8.09 -10.99 0 4 0 57 254.289 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-(2-cyanoethyl)-N-cyclopropyl-benzofuran-2-carboxamide 5-amino-N-(2-cyanoethyl)-N-cyclo…

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) 0.82 6.12 -10.29 2 5 0 83 269.304 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(7-bromobenzofuran-2-carbonyl)-cyclopropyl-amino]propanoic 3-[(7-bromobenzofuran-2-carbonyl…

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) 2.58 9.03 -49.11 0 5 -1 74 351.176 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-N,3,7-trimethyl-benzofuran-2-carboxamide N-cyclopropyl-N,3,7-trimethyl-be…

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) 3.08 8 -7.77 0 3 0 33 243.306 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-N-cyclopropyl-N,3-dimethyl-benzofuran-2-carboxamide 5-chloro-N-cyclopropyl-N,3-dimet…

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 7.85 -6.36 0 3 0 33 263.724 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-chloro-N-cyclopropyl-N,3-dimethyl-benzofuran-2-carboxamide 7-chloro-N-cyclopropyl-N,3-dimet…

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) 3.31 7.85 -7.46 0 3 0 33 263.724 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyanomethyl)-N-cyclopropyl-3,7-dimethyl-benzofuran-2-carboxamide N-(cyanomethyl)-N-cyclopropyl-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) 2.87 8.74 -10.98 0 4 0 57 268.316 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyanomethyl)-N-cyclopropyl-5-methyl-benzofuran-2-carboxamide N-(cyanomethyl)-N-cyclopropyl-5-…

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) 2.52 8.08 -10.89 0 4 0 57 254.289 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-bromo-N-(cyanomethyl)-N-cyclopropyl-benzofuran-2-carboxamide 7-bromo-N-(cyanomethyl)-N-cyclop…

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) 2.85 8.02 -10.75 0 4 0 57 319.158 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-N-(cyanomethyl)-N-cyclopropyl-benzofuran-2-carboxamide 5-bromo-N-(cyanomethyl)-N-cyclop…

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) 2.88 8.03 -10.05 0 4 0 57 319.158 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyanomethyl)-N-cyclopropyl-5-fluoro-3-methyl-benzofuran-2-carboxamide N-(cyanomethyl)-N-cyclopropyl-5-…

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) 1.63 8.14 -10.51 0 4 0 57 272.279 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyanomethyl)-N-cyclopropyl-7-fluoro-3-methyl-benzofuran-2-carboxamide N-(cyanomethyl)-N-cyclopropyl-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) 2.58 8.15 -11.6 0 4 0 57 272.279 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-N-(cyanomethyl)-N-cyclopropyl-benzofuran-2-carboxamide 5-chloro-N-(cyanomethyl)-N-cyclo…

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) 2.75 7.93 -10.2 0 4 0 57 274.707 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-chloro-N-(cyanomethyl)-N-cyclopropyl-3-methyl-benzofuran-2-carboxamide 7-chloro-N-(cyanomethyl)-N-cyclo…

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) 3.10 8.6 -10.74 0 4 0 57 288.734 3 ↓

Parameters Provided:

ring.id = 63074
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 = 63074 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=63074&filter.purchasability=annotated

Embed Link to Results