Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_msptesdcte2m3ur33higj0bil6, 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: (7S)-7-(2,4-dichlorophenyl)-5-methyl-2-phenyl-N-(2-pyridyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimi (7S)-7-(2,4-dichlorophenyl)-5-me…

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) 5.33 15.1 -12.78 2 7 0 85 477.355 4 ↓
Hi High (pH 8-9.5) 5.50 14.05 -37.75 1 7 -1 86 476.347 4 ↓
Mid Mid (pH 6-8) 5.50 14.77 -29.58 3 7 1 90 478.363 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-7-(2,4-dichlorophenyl)-5-methyl-2-phenyl-N-(2-pyridyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimi (7R)-7-(2,4-dichlorophenyl)-5-me…

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) 5.33 15.1 -12.68 2 7 0 85 477.355 4 ↓
Hi High (pH 8-9.5) 5.50 14.03 -38.36 1 7 -1 86 476.347 4 ↓
Mid Mid (pH 6-8) 5.50 14.43 -27.33 3 7 1 90 478.363 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-7-(4-bromophenyl)-5-methyl-2-phenyl-N-(2-pyridyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine- (7R)-7-(4-bromophenyl)-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) 4.85 14.7 -14.09 2 7 0 85 487.361 4 ↓
Hi High (pH 8-9.5) 5.03 14 -39.98 1 7 -1 86 486.353 4 ↓
Mid Mid (pH 6-8) 5.03 14.5 -31.71 3 7 1 90 488.369 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-7-(4-bromophenyl)-5-methyl-2-phenyl-N-(2-pyridyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine- (7S)-7-(4-bromophenyl)-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) 4.85 14.7 -14.13 2 7 0 85 487.361 4 ↓
Hi High (pH 8-9.5) 5.03 13.84 -40.19 1 7 -1 86 486.353 4 ↓
Mid Mid (pH 6-8) 5.03 14.34 -31.64 3 7 1 90 488.369 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-7-(3-bromophenyl)-5-methyl-2-phenyl-N-(2-pyridyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine- (7R)-7-(3-bromophenyl)-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) 4.83 14.69 -13.07 2 7 0 85 487.361 4 ↓
Hi High (pH 8-9.5) 5.00 13.99 -40.32 1 7 -1 86 486.353 4 ↓
Mid Mid (pH 6-8) 5.00 14.5 -30.63 3 7 1 90 488.369 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-7-(3-bromophenyl)-5-methyl-2-phenyl-N-(2-pyridyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine- (7S)-7-(3-bromophenyl)-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) 4.83 14.69 -13 2 7 0 85 487.361 4 ↓
Hi High (pH 8-9.5) 5.00 13.83 -40.81 1 7 -1 86 486.353 4 ↓
Mid Mid (pH 6-8) 5.00 14.33 -30.55 3 7 1 90 488.369 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-7-(2,5-dimethoxyphenyl)-5-methyl-2-phenyl-N-(2-pyridyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrim (7R)-7-(2,5-dimethoxyphenyl)-5-m…

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) 4.08 13.01 -18.05 2 9 0 103 468.517 6 ↓
Hi High (pH 8-9.5) 4.26 11.83 -48.32 1 9 -1 105 467.509 6 ↓
Mid Mid (pH 6-8) 4.26 12.44 -28.68 3 9 1 108 469.525 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-7-(2,5-dimethoxyphenyl)-5-methyl-2-phenyl-N-(2-pyridyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrim (7S)-7-(2,5-dimethoxyphenyl)-5-m…

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) 4.08 13.02 -17.92 2 9 0 103 468.517 6 ↓
Hi High (pH 8-9.5) 4.26 11.86 -48.78 1 9 -1 105 467.509 6 ↓
Mid Mid (pH 6-8) 4.26 12.46 -28.6 3 9 1 108 469.525 6 ↓

Parameters Provided:

ring.id = 222763
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 = 222763 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=222763&filter.purchasability=annotated

Embed Link to Results