Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_eupfef5ntj4p5encjdl2pdrdu7, 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

38575614
38575614
4326896
4326896

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-acetamidophenyl)-2-[[3-(2-pyridyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]acetamide N-(3-acetamidophenyl)-2-[[3-(2-p…

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) 1.95 7.25 -23.08 2 9 0 114 419.47 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-acetylphenyl)-2-[[3-(2-pyridyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]acetamide N-(3-acetylphenyl)-2-[[3-(2-pyri…

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) 2.63 8.84 -26.33 1 8 0 102 404.455 6 ↓

Analogs

4326948
4326948

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-isopropylphenyl)-2-[[3-(2-pyridyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]acetamide N-(4-isopropylphenyl)-2-[[3-(2-p…

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) 4.26 10.28 -17.86 1 7 0 85 404.499 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-methoxy-5-methyl-phenyl)-2-[[3-(2-pyridyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]acetam N-(2-methoxy-5-methyl-phenyl)-2-…

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) 3.18 8.45 -17.9 1 8 0 94 406.471 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chloro-2-methyl-phenyl)-2-[[3-(2-pyridyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]acetami N-(3-chloro-2-methyl-phenyl)-2-[…

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) 3.78 9.64 -17.36 1 7 0 85 410.89 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-chlorophenyl)-2-[[3-(2-pyridyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]acetamide N-(2-chlorophenyl)-2-[[3-(2-pyri…

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 8.98 -16.31 1 7 0 85 396.863 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-fluoro-4-methyl-phenyl)-2-[[3-(2-pyridyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]acetami N-(3-fluoro-4-methyl-phenyl)-2-[…

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) 3.29 9.07 -17.76 1 7 0 85 394.435 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-[[3-(2-pyridyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]a N-[3,5-bis(trifluoromethyl)pheny…

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) 4.47 10.38 -19.04 1 7 0 85 498.412 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-nitrophenyl)-2-[[3-(2-pyridyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]acetamide N-(2-nitrophenyl)-2-[[3-(2-pyrid…

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) 2.66 9.4 -19.11 1 10 0 131 407.415 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,5-dimethoxyphenyl)-2-[[3-(2-pyridyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]acetamide N-(3,5-dimethoxyphenyl)-2-[[3-(2…

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) 2.79 6.96 -20.83 1 9 0 104 422.47 7 ↓

Analogs

38575600
38575600

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,5-dichlorophenyl)-2-[[3-(2-pyridyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]acetamide N-(2,5-dichlorophenyl)-2-[[3-(2-…

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) 4.04 9.51 -16.68 1 7 0 85 431.308 5 ↓

Analogs

4326993
4326993

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,5-dichlorophenyl)-2-[[3-(2-pyridyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]acetamide N-(3,5-dichlorophenyl)-2-[[3-(2-…

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) 4.04 9.39 -17.77 1 7 0 85 431.308 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-fluoro-3-nitro-phenyl)-2-[[3-(2-pyridyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]acetamid N-(4-fluoro-3-nitro-phenyl)-2-[[…

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) 2.80 9.1 -27.88 1 10 0 131 425.405 6 ↓

Analogs

38575597
38575597

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,3-dichlorophenyl)-2-[[3-(2-pyridyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]acetamide N-(2,3-dichlorophenyl)-2-[[3-(2-…

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) 4.01 9.46 -16.38 1 7 0 85 431.308 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chloro-4-fluoro-phenyl)-2-[[3-(2-pyridyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]acetami N-(3-chloro-4-fluoro-phenyl)-2-[…

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) 3.52 8.93 -20.69 1 7 0 85 414.853 5 ↓

Analogs

36634309
36634309

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-phenyl-2-[[3-(2-pyridyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]acetamide N-methyl-N-phenyl-2-[[3-(2-pyrid…

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) 3.00 10.12 -18.32 0 7 0 76 376.445 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,4-dimethylphenyl)-2-[[3-(2-pyridyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]acetamide N-(3,4-dimethylphenyl)-2-[[3-(2-…

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) 3.58 9.59 -18.24 1 7 0 85 390.472 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,4-difluorophenyl)-2-[[3-(2-pyridyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]acetamide N-(3,4-difluorophenyl)-2-[[3-(2-…

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) 3.01 8.48 -21.9 1 7 0 85 398.398 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-methoxy-5-(trifluoromethyl)phenyl]-2-[[3-(2-pyridyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfa N-[2-methoxy-5-(trifluoromethyl)…

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) 3.63 8.8 -19.39 1 8 0 94 460.441 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[2-[[3-(2-pyridyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]acetyl]amino]benzamide 4-[[2-[[3-(2-pyridyl)-[1,2,4]tri…

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) 1.57 5.16 -26.31 3 9 0 128 405.443 6 ↓

Parameters Provided:

ring.id = 99726
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 = 99726 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=99726&filter.purchasability=annotated

Embed Link to Results