Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_ms4n3j7njlmh2itgv8c9m0okm3, O_RDWR) failed: No such file or directory (2) in /domains/zinc12/htdocs/lib/zinc/user/ZincAuthentication.php on line 109

Warning: session_write_close() [function.session-write-close]: Failed to write session data (files). Please verify that the current setting of session.save_path is correct (/tmp/session) in /domains/zinc12/htdocs/lib/zinc/user/ZincAuthentication.php on line 109
Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclododecyl-2-(2-oxo-3-phenyl-imidazolidin-1-yl)acetamide N-cyclododecyl-2-(2-oxo-3-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) 6.34 12 -18.12 1 5 0 53 385.552 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclododecyl-2-[2-oxo-3-(p-tolyl)imidazolidin-1-yl]acetamide N-cyclododecyl-2-[2-oxo-3-(p-tol…

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) 6.79 12.68 -18.11 1 5 0 53 399.579 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclododecyl-2-[3-(4-fluorophenyl)-2-oxo-imidazolidin-1-yl]acetamide N-cyclododecyl-2-[3-(4-fluorophe…

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) 6.50 12.07 -17.49 1 5 0 53 403.542 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclododecyl-2-[3-(2-fluorophenyl)-2-oxo-imidazolidin-1-yl]acetamide N-cyclododecyl-2-[3-(2-fluorophe…

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) 6.46 12.35 -18.72 1 5 0 53 403.542 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-(3-chlorophenyl)-2-oxo-imidazolidin-1-yl]-N-cyclododecyl-acetamide 2-[3-(3-chlorophenyl)-2-oxo-imid…

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) 6.99 12.52 -15.94 1 5 0 53 419.997 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-(4-chlorophenyl)-2-oxo-imidazolidin-1-yl]-N-cyclododecyl-acetamide 2-[3-(4-chlorophenyl)-2-oxo-imid…

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) 7.02 12.52 -17.02 1 5 0 53 419.997 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclododecyl-2-[3-(3,4-difluorophenyl)-2-oxo-imidazolidin-1-yl]acetamide N-cyclododecyl-2-[3-(3,4-difluor…

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) 6.60 12.12 -16.02 1 5 0 53 421.532 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclododecyl-2-[3-(4-methoxyphenyl)-2-oxo-imidazolidin-1-yl]acetamide N-cyclododecyl-2-[3-(4-methoxyph…

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) 6.40 11.29 -18.37 1 6 0 62 415.578 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclododecyl-2-[3-(2-methoxyphenyl)-2-oxo-imidazolidin-1-yl]acetamide N-cyclododecyl-2-[3-(2-methoxyph…

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 11.64 -19.62 1 6 0 62 415.578 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclododecyl-2-[3-(4-ethoxyphenyl)-2-oxo-imidazolidin-1-yl]acetamide N-cyclododecyl-2-[3-(4-ethoxyphe…

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) 6.77 12.22 -18.2 1 6 0 62 429.605 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclododecyl-2-[3-(3,4-dimethoxyphenyl)-2-oxo-imidazolidin-1-yl]acetamide N-cyclododecyl-2-[3-(3,4-dimetho…

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) 5.99 11.2 -20.15 1 7 0 71 445.604 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclododecyl-2-[3-(2,5-dimethoxyphenyl)-2-oxo-imidazolidin-1-yl]acetamide N-cyclododecyl-2-[3-(2,5-dimetho…

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) 6.38 10.94 -21.57 1 7 0 71 445.604 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclododecyl-2-[3-(4-isopropylphenyl)-2-oxo-imidazolidin-1-yl]acetamide N-cyclododecyl-2-[3-(4-isopropyl…

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) 7.85 13.92 -17.76 1 5 0 53 427.633 5 ↓

Parameters Provided:

ring.id = 558353
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 = 558353 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=558353&filter.purchasability=annotated

Embed Link to Results