UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(diethylsulfamoyl)-1-methyl-N-(1-phenylcyclobutyl)pyrrole-2-carboxamide 4-(diethylsulfamoyl)-1-methyl-N-…

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) 2.67 7.98 -18.95 1 6 0 71 389.521 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-4-(methylsulfamoyl)-N-(1-phenylcyclobutyl)pyrrole-2-carboxamide 1-methyl-4-(methylsulfamoyl)-N-(…

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) 1.68 4.41 -19.12 2 6 0 80 347.44 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[1-(3-bromophenyl)cyclobutyl]-1H-pyrrole-2-carboxamide N-[1-(3-bromophenyl)cyclobutyl]-…

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) 3.40 6.82 -11.94 2 3 0 45 319.202 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[1-(4-bromophenyl)cyclobutyl]-4-chloro-1H-pyrrole-2-carboxamide N-[1-(4-bromophenyl)cyclobutyl]-…

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) 4.03 7.34 -11.26 2 3 0 45 353.647 3 ↓

Analogs

31040480
31040480
31040482
31040482

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-N-[1-(4-bromophenyl)cyclobutyl]-1H-pyrrole-2-carboxamide 4-bromo-N-[1-(4-bromophenyl)cycl…

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) 4.16 7.45 -11.13 2 3 0 45 398.098 3 ↓

Analogs

37845635
37845635
37845634
37845634

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-N-[1-(3-bromophenyl)cyclobutyl]-1H-pyrrole-2-carboxamide 4-bromo-N-[1-(3-bromophenyl)cycl…

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) 4.13 7.45 -11.85 2 3 0 45 398.098 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-[1-(4-chlorophenyl)cyclobutyl]-1H-pyrrole-2-carboxamide 4-chloro-N-[1-(4-chlorophenyl)cy…

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) 3.90 7.24 -11.31 2 3 0 45 309.196 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-N-[1-(4-chlorophenyl)cyclobutyl]-1H-pyrrole-2-carboxamide 4-bromo-N-[1-(4-chlorophenyl)cyc…

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) 4.03 7.34 -11.22 2 3 0 45 353.647 3 ↓

Parameters Provided:

ring.id = 65211
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 = 65211 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=65211&filter.purchasability=annotated

Embed Link to Results