Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_r82o0lqpqo8gdoklbaiprl2215, 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: N-[3-(dimethylsulfamoyl)phenyl]-5-(p-tolyl)-2H-pyrazole-3-carboxamide N-[3-(dimethylsulfamoyl)phenyl]-…

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) 2.86 5.17 -19.6 2 7 0 95 384.461 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-ethylphenyl)-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide N-(4-ethylphenyl)-3-(2-hydroxyph…

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) 3.77 5.41 -11.19 3 5 0 78 307.353 4 ↓
Mid Mid (pH 6-8) 3.77 6.17 -50.55 2 5 -1 81 306.345 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-ethylphenyl)-3-(2-hydroxy-4-methyl-phenyl)-1H-pyrazole-5-carboxamide N-(4-ethylphenyl)-3-(2-hydroxy-4…

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) 4.19 6.07 -11.1 3 5 0 78 321.38 4 ↓
Hi High (pH 8-9.5) 4.19 6.7 -41.86 2 5 -1 81 320.372 4 ↓

Analogs

734895
734895

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[4-[2-(methylamino)-2-oxo-ethyl]phenyl]-5-phenyl-pyrazole-3-carboxamide 2-methyl-N-[4-[2-(methylamino)-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) 2.47 6.93 -19.39 2 6 0 76 348.406 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-fluorophenyl)-N-[4-[2-(methylamino)-2-oxo-ethyl]phenyl]-1H-pyrazole-5-carboxamide 3-(4-fluorophenyl)-N-[4-[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) 2.57 5.56 -16.32 3 6 0 87 352.369 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3-methoxyphenyl)-N-[4-[2-(methylamino)-2-oxo-ethyl]phenyl]-1H-pyrazole-5-carboxamide 3-(3-methoxyphenyl)-N-[4-[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) 2.44 4.79 -18.26 3 7 0 96 364.405 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2,5-dimethoxyphenyl)-N-[4-[2-(methylamino)-2-oxo-ethyl]phenyl]-1H-pyrazole-5-carboxamide 3-(2,5-dimethoxyphenyl)-N-[4-[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) 2.45 4.36 -19.55 3 8 0 105 394.431 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[2-(2-methoxyethylamino)-2-oxo-ethyl]phenyl]-2-methyl-5-phenyl-pyrazole-3-carboxamide N-[4-[2-(2-methoxyethylamino)-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) 2.46 6.69 -17.51 2 7 0 85 392.459 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[2-(2-methoxyethylamino)-2-oxo-ethyl]phenyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide N-[4-[2-(2-methoxyethylamino)-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) 2.42 4.71 -18.38 3 8 0 105 408.458 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2,5-dimethoxyphenyl)-N-[4-[2-(2-methoxyethylamino)-2-oxo-ethyl]phenyl]-1H-pyrazole-5-carboxamide 3-(2,5-dimethoxyphenyl)-N-[4-[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) 2.43 4.27 -19.69 3 9 0 115 438.484 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[2-(dimethylamino)-2-oxo-ethyl]phenyl]-3-phenyl-1H-pyrazole-5-carboxamide N-[4-[2-(dimethylamino)-2-oxo-et…

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) 2.21 7.47 -16.46 2 6 0 78 348.406 5 ↓

Analogs

734895
734895

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[2-(dimethylamino)-2-oxo-ethyl]phenyl]-2-methyl-5-phenyl-pyrazole-3-carboxamide N-[4-[2-(dimethylamino)-2-oxo-et…

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) 2.28 8.73 -17.35 1 6 0 67 362.433 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[2-(dimethylamino)-2-oxo-ethyl]phenyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide N-[4-[2-(dimethylamino)-2-oxo-et…

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) 2.37 7.54 -16.19 2 6 0 78 366.396 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[2-(dimethylamino)-2-oxo-ethyl]phenyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide N-[4-[2-(dimethylamino)-2-oxo-et…

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) 2.24 6.77 -18.12 2 7 0 87 378.432 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2,5-dimethoxyphenyl)-N-[4-[2-(dimethylamino)-2-oxo-ethyl]phenyl]-1H-pyrazole-5-carboxamide 3-(2,5-dimethoxyphenyl)-N-[4-[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) 2.25 6.31 -19.37 2 8 0 97 408.458 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]phenyl]-3-phenyl-1H-pyrazole-5-carboxamide N-[4-[2-oxo-2-(2,2,2-trifluoroet…

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) 3.33 6.81 -16.37 3 6 0 87 402.376 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]phenyl]-5-phenyl-pyrazole-3-carboxamide 2-methyl-N-[4-[2-oxo-2-(2,2,2-tr…

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) 3.40 8.07 -16.02 2 6 0 76 416.403 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-fluorophenyl)-N-[4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]phenyl]-1H-pyrazole-5-carboxamide 3-(4-fluorophenyl)-N-[4-[2-oxo-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) 3.50 6.86 -15.16 3 6 0 87 420.366 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3-methoxyphenyl)-N-[4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]phenyl]-1H-pyrazole-5-carboxamide 3-(3-methoxyphenyl)-N-[4-[2-oxo-…

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) 3.37 6.11 -17.99 3 7 0 96 432.402 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2,5-dimethoxyphenyl)-N-[4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]phenyl]-1H-pyrazole-5-carboxa 3-(2,5-dimethoxyphenyl)-N-[4-[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) 3.37 5.67 -19.36 3 8 0 105 462.428 9 ↓

Parameters Provided:

ring.id = 52515
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 = 52515 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=52515&filter.purchasability=annotated

Embed Link to Results