Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_rpstfud4hj2gjohtv81f78d4d3, 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

2791415
2791415
2791416
2791416
2791417
2791417

Draw Identity 99% 90% 80% 70%

Popular Name: 4-benzyl-5-[(5R,7S)-5-p-cumenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl] 4-benzyl-5-[(5R,7S)-5-p-cumenyl-…

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) 6.33 15.61 -49.63 1 6 -1 61 497.57 6 ↓
Hi High (pH 8-9.5) 5.78 14.79 -9.98 2 6 0 67 498.578 6 ↓
Mid Mid (pH 6-8) 6.51 15.37 -44.15 2 6 0 65 498.578 6 ↓

Analogs

2791416
2791416
2791417
2791417
2791414
2791414

Draw Identity 99% 90% 80% 70%

Popular Name: 4-benzyl-5-[(5S,7S)-5-p-cumenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl] 4-benzyl-5-[(5S,7S)-5-p-cumenyl-…

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) 6.33 14.86 -53.68 1 6 -1 61 497.57 6 ↓
Hi High (pH 8-9.5) 5.78 14.13 -8.99 2 6 0 67 498.578 6 ↓
Mid Mid (pH 6-8) 6.51 14.75 -44.3 2 6 0 65 498.578 6 ↓

Analogs

2791417
2791417
2791414
2791414
2791415
2791415

Draw Identity 99% 90% 80% 70%

Popular Name: 4-benzyl-5-[(5R,7R)-5-p-cumenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl] 4-benzyl-5-[(5R,7R)-5-p-cumenyl-…

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) 6.33 14.96 -53.69 1 6 -1 61 497.57 6 ↓
Ref Reference (pH 7) 5.78 15.09 -42.15 3 6 1 68 499.586 6 ↓
Hi High (pH 8-9.5) 5.78 14.57 -11.85 2 6 0 67 498.578 6 ↓

Analogs

2791414
2791414
2791415
2791415
2791416
2791416

Draw Identity 99% 90% 80% 70%

Popular Name: 4-benzyl-5-[(5S,7R)-5-p-cumenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl] 4-benzyl-5-[(5S,7R)-5-p-cumenyl-…

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) 6.33 15.71 -50.97 1 6 -1 61 497.57 6 ↓
Hi High (pH 8-9.5) 5.78 14.8 -10.18 2 6 0 67 498.578 6 ↓
Mid Mid (pH 6-8) 6.51 15.35 -45.4 2 6 0 65 498.578 6 ↓

Parameters Provided:

ring.id = 237352
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 = 237352 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=237352&filter.purchasability=annotated

Embed Link to Results