Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_mtfvn2ts612bf4342tb70h5l25, 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: 4-[1-(2-hydroxyethylamino)ethylidene]-2-(4-methoxyphenyl)-5-phenyl-pyrazol-3-one 4-[1-(2-hydroxyethylamino)ethyli…

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) 2.35 4.85 -19.43 2 6 0 76 351.406 6 ↓
Mid Mid (pH 6-8) 2.83 -3.34 -35.2 2 6 1 76 352.414 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-fluorophenyl)-4-[1-(2-hydroxyethylamino)ethylidene]-5-phenyl-pyrazol-3-one 2-(4-fluorophenyl)-4-[1-(2-hydro…

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) 2.46 5.63 -16.98 2 5 0 67 339.37 5 ↓
Mid Mid (pH 6-8) 2.94 -2.61 -35.11 2 5 1 66 340.378 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[1-(3-hydroxypropylamino)ethylidene]-2,5-diphenyl-pyrazol-3-one 4-[1-(3-hydroxypropylamino)ethyl…

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) 2.57 6.3 -19.83 2 5 0 67 335.407 6 ↓
Mid Mid (pH 6-8) 3.05 -3.31 -36.77 2 5 1 66 336.415 6 ↓

Analogs

17080399
17080399

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[1-(3-hydroxypropylamino)ethylidene]-2-(4-methoxyphenyl)-5-phenyl-pyrazol-3-one 4-[1-(3-hydroxypropylamino)ethyl…

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) 2.62 5.6 -19.71 2 6 0 76 365.433 7 ↓
Mid Mid (pH 6-8) 3.11 -3.31 -37.96 2 6 1 76 366.441 7 ↓

Analogs

17077954
17077954

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-fluorophenyl)-4-[1-(3-hydroxypropylamino)ethylidene]-5-phenyl-pyrazol-3-one 2-(4-fluorophenyl)-4-[1-(3-hydro…

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) 2.73 6.37 -17.31 2 5 0 67 353.397 6 ↓
Mid Mid (pH 6-8) 3.21 -2.58 -37.96 2 5 1 66 354.405 6 ↓

Analogs

17077954
17077954
17080858
17080858

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-fluorophenyl)-4-[1-(3-methoxypropylamino)ethylidene]-5-phenyl-pyrazol-3-one 2-(4-fluorophenyl)-4-[1-(3-metho…

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) 3.35 8.79 -16.25 1 5 0 56 367.424 7 ↓
Mid Mid (pH 6-8) 3.83 -0.35 -37.49 1 5 1 55 368.432 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[1-(2-hydroxyethylamino)ethylidene]-5-(4-methoxyphenyl)-2-phenyl-pyrazol-3-one 4-[1-(2-hydroxyethylamino)ethyli…

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) 2.35 4.86 -20.07 2 6 0 76 351.406 6 ↓
Mid Mid (pH 6-8) 2.83 -3.33 -36.22 2 6 1 76 352.414 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-fluorophenyl)-4-[1-(2-hydroxyethylamino)ethylidene]-5-(4-methoxyphenyl)-pyrazol-3-one 2-(4-fluorophenyl)-4-[1-(2-hydro…

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) 2.52 4.93 -17.6 2 6 0 76 369.396 6 ↓
Mid Mid (pH 6-8) 3.00 -2.62 -38.2 2 6 1 76 370.404 6 ↓

Analogs

17080395
17080395

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[1-(3-hydroxypropylamino)ethylidene]-5-(4-methoxyphenyl)-2-phenyl-pyrazol-3-one 4-[1-(3-hydroxypropylamino)ethyl…

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) 2.62 5.61 -20.26 2 6 0 76 365.433 7 ↓
Mid Mid (pH 6-8) 3.11 -3.29 -38.94 2 6 1 76 366.441 7 ↓

Analogs

17093615
17093615

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[1-(3-hydroxypropylamino)ethylidene]-2,5-bis(4-methoxyphenyl)-pyrazol-3-one 4-[1-(3-hydroxypropylamino)ethyl…

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) 2.68 4.91 -20.16 2 7 0 86 395.459 8 ↓
Mid Mid (pH 6-8) 3.16 -3.29 -40.21 2 7 1 85 396.467 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[1-(2-methoxyethylamino)ethylidene]-5-(4-methoxyphenyl)-2-phenyl-pyrazol-3-one 4-[1-(2-methoxyethylamino)ethyli…

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) 2.97 7.26 -19.48 1 6 0 65 365.433 7 ↓
Mid Mid (pH 6-8) 3.45 -1.13 -35.85 1 6 1 65 366.441 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[1-(2-methoxyethylamino)ethylidene]-2,5-bis(4-methoxyphenyl)-pyrazol-3-one 4-[1-(2-methoxyethylamino)ethyli…

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) 3.03 6.57 -19.36 1 7 0 75 395.459 8 ↓
Mid Mid (pH 6-8) 3.51 -1.11 -37.04 1 7 1 74 396.467 8 ↓

Analogs

17080395
17080395
17093615
17093615

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-methoxyphenyl)-4-[1-(3-methoxypropylamino)ethylidene]-2-phenyl-pyrazol-3-one 5-(4-methoxyphenyl)-4-[1-(3-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) 3.24 8.01 -19.16 1 6 0 65 379.46 8 ↓
Mid Mid (pH 6-8) 3.72 -1.07 -38.3 1 6 1 65 380.468 8 ↓

Analogs

17080395
17080395
17093615
17093615

Draw Identity 99% 90% 80% 70%

Popular Name: 2,5-bis(4-methoxyphenyl)-4-[1-(3-methoxypropylamino)ethylidene]pyrazol-3-one 2,5-bis(4-methoxyphenyl)-4-[1-(3…

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) 3.30 7.32 -19.12 1 7 0 75 409.486 9 ↓
Mid Mid (pH 6-8) 3.78 -1.09 -40.06 1 7 1 74 410.494 9 ↓

Parameters Provided:

ring.id = 248771
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 = 248771 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=248771&filter.purchasability=annotated

Embed Link to Results