Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_7u7l9n6cefkcrqmguitav8i7o3, 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-benzyl-2-[7-(3-methoxyphenyl)-5-methyl-4-oxo-pyrrolo[3,2-d]pyrimidin-3-yl]acetamide N-benzyl-2-[7-(3-methoxyphenyl)-…

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 10.35 -21.44 1 7 0 78 402.454 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-chlorophenyl)methyl]-2-[7-(3-methoxyphenyl)-5-methyl-4-oxo-pyrrolo[3,2-d]pyrimidin-3-yl]acetam N-[(2-chlorophenyl)methyl]-2-[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) 3.97 10.76 -22.52 1 7 0 78 436.899 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[7-(3-methoxyphenyl)-5-methyl-4-oxo-pyrrolo[3,2-d]pyrimidin-3-yl]-N-(p-tolylmethyl)acetamide 2-[7-(3-methoxyphenyl)-5-methyl-…

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) 3.79 11.02 -21.39 1 7 0 78 416.481 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-fluorophenyl)methyl]-2-[7-(3-methoxyphenyl)-5-methyl-4-oxo-pyrrolo[3,2-d]pyrimidin-3-yl]acetam N-[(4-fluorophenyl)methyl]-2-[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) 3.51 10.42 -22.14 1 7 0 78 420.444 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-methoxyphenyl)methyl]-2-[7-(3-methoxyphenyl)-5-methyl-4-oxo-pyrrolo[3,2-d]pyrimidin-3-yl]aceta N-[(4-methoxyphenyl)methyl]-2-[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) 3.40 9.65 -22.61 1 8 0 87 432.48 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3-methoxyphenyl)methyl]-2-[7-(3-methoxyphenyl)-5-methyl-4-oxo-pyrrolo[3,2-d]pyrimidin-3-yl]aceta N-[(3-methoxyphenyl)methyl]-2-[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) 3.38 9.65 -23.36 1 8 0 87 432.48 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-chlorophenyl)methyl]-2-[7-(3-methoxyphenyl)-5-methyl-4-oxo-pyrrolo[3,2-d]pyrimidin-3-yl]acetam N-[(4-chlorophenyl)methyl]-2-[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) 4.02 10.87 -21.59 1 7 0 78 436.899 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2,3-dimethoxyphenyl)methyl]-2-[7-(3-methoxyphenyl)-5-methyl-4-oxo-pyrrolo[3,2-d]pyrimidin-3-yl]a N-[(2,3-dimethoxyphenyl)methyl]-…

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) 3.16 9.59 -24.54 1 9 0 97 462.506 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-2-[7-(4-chlorophenyl)-5-methyl-4-oxo-pyrrolo[3,2-d]pyrimidin-3-yl]acetamide N-benzyl-2-[7-(4-chlorophenyl)-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) 3.99 11.57 -19.77 1 6 0 69 406.873 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-chlorophenyl)methyl]-2-[7-(4-chlorophenyl)-5-methyl-4-oxo-pyrrolo[3,2-d]pyrimidin-3-yl]acetami N-[(2-chlorophenyl)methyl]-2-[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) 4.62 11.98 -20.78 1 6 0 69 441.318 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[7-(4-chlorophenyl)-5-methyl-4-oxo-pyrrolo[3,2-d]pyrimidin-3-yl]-N-(p-tolylmethyl)acetamide 2-[7-(4-chlorophenyl)-5-methyl-4…

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) 4.44 12.25 -19.69 1 6 0 69 420.9 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[7-(4-chlorophenyl)-5-methyl-4-oxo-pyrrolo[3,2-d]pyrimidin-3-yl]-N-[(4-fluorophenyl)methyl]acetami 2-[7-(4-chlorophenyl)-5-methyl-4…

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) 4.15 11.64 -20.46 1 6 0 69 424.863 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[7-(4-fluorophenyl)-5-methyl-4-oxo-pyrrolo[3,2-d]pyrimidin-3-yl]-N-[(2-methoxyphenyl)methyl]acetam 2-[7-(4-fluorophenyl)-5-methyl-4…

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) 3.48 10.44 -21.93 1 7 0 78 420.444 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[7-(4-fluorophenyl)-5-methyl-4-oxo-pyrrolo[3,2-d]pyrimidin-3-yl]-N-[(3-methoxyphenyl)methyl]acetam 2-[7-(4-fluorophenyl)-5-methyl-4…

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 10.4 -22.09 1 7 0 78 420.444 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[7-(4-fluorophenyl)-5-methyl-4-oxo-pyrrolo[3,2-d]pyrimidin-3-yl]-N-[(4-methoxyphenyl)methyl]acetam 2-[7-(4-fluorophenyl)-5-methyl-4…

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) 3.53 10.4 -21.39 1 7 0 78 420.444 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3-chloro-4-fluoro-phenyl)methyl]-2-[7-(4-fluorophenyl)-5-methyl-4-oxo-pyrrolo[3,2-d]pyrimidin-3- N-[(3-chloro-4-fluoro-phenyl)met…

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) 4.24 11.66 -22.16 1 6 0 69 442.853 5 ↓

Parameters Provided:

ring.id = 505903
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 = 505903 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=505903&filter.purchasability=annotated

Embed Link to Results