Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_e5rbstbou7sa22r2cav2r1ege0, 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

2791829
2791829
2793128
2793128
2793398
2793398
2793486
2793486
2793981
2793981

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(5-chloro-2-thienyl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]p 5-(5-chloro-2-thienyl)-N-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) 3.95 9.58 -9.95 0 7 0 68 454.865 5 ↓

Analogs

2792088
2792088
2793272
2793272
2808263
2808263
13574196
13574196
2784486
2784486

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]p 3-chloro-N-methyl-N-[(2-methylpy…

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) 3.75 9.52 -12.44 0 7 0 68 454.865 5 ↓

Analogs

2793213
2793213
2791684
2791684

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(5-chloro-2-thienyl)-N-[(2-methylpyrazol-3-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine 5-(5-chloro-2-thienyl)-N-[(2-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) 3.70 7.29 -9.47 1 7 0 77 440.838 5 ↓

Analogs

2793398
2793398
2793519
2793519
2793981
2793981
2794127
2794127
2793128
2793128

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(5-chloro-2-thienyl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]py 5-(5-chloro-2-thienyl)-N-[(2-eth…

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) 4.32 10.66 -11.59 0 7 0 68 468.892 6 ↓

Analogs

2793362
2793362
2793494
2793494
2793515
2793515
2791972
2791972

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N-[(2-methylpyrazol-3-yl)methyl]-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine 3-chloro-N-[(2-methylpyrazol-3-y…

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 7.18 -11.76 1 7 0 77 440.838 5 ↓

Analogs

2794072
2794072
2794156
2794156
2794210
2794210
2808263
2808263
2793272
2793272

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]py 3-chloro-N-[(2-ethylpyrazol-3-yl…

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 10.48 -13.9 0 7 0 68 468.892 6 ↓

Analogs

2791684
2791684

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(5-ethyl-2-thienyl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]py 5-(5-ethyl-2-thienyl)-N-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) 3.94 10.63 -11.01 0 7 0 68 448.474 6 ↓

Analogs

2793213
2793213

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-ethylpyrazol-3-yl)methyl]-5-(5-ethyl-2-thienyl)-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyr N-[(2-ethylpyrazol-3-yl)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) 4.32 11.75 -12.58 0 7 0 68 462.501 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(5-ethyl-2-thienyl)-N-[(2-methylpyrazol-3-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine- 5-(5-ethyl-2-thienyl)-N-[(2-meth…

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) 3.70 8.29 -10.15 1 7 0 77 434.447 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N-[(1R)-1-(2-ethylpyrazol-3-yl)ethyl]-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrim 3-chloro-N-[(1R)-1-(2-ethylpyraz…

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 8.77 -11.96 1 7 0 77 468.892 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N-[(1S)-1-(2-ethylpyrazol-3-yl)ethyl]-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrim 3-chloro-N-[(1S)-1-(2-ethylpyraz…

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 8.57 -11.92 1 7 0 77 468.892 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(2-ethylpyrazol-3-yl)ethyl]-5-(5-ethyl-2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimi N-[(1S)-1-(2-ethylpyrazol-3-yl)e…

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) 4.63 9.8 -10.09 1 7 0 77 462.501 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(2-ethylpyrazol-3-yl)ethyl]-5-(5-ethyl-2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimi N-[(1R)-1-(2-ethylpyrazol-3-yl)e…

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) 4.63 9.8 -10.06 1 7 0 77 462.501 7 ↓

Parameters Provided:

ring.id = 237449
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 = 237449 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=237449&filter.purchasability=annotated

Embed Link to Results