Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_t6m4hvhjhuoh23hkn2856ikve4, 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: 2-(2,4-dichlorophenyl)-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-N-methyl-acetamide 2-(2,4-dichlorophenyl)-N-[(3,5-d…

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) 4.25 2.02 -15.08 0 4 0 38 402.325 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3,4-dimethoxyphenyl)-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-N-methyl-acetamide 2-(3,4-dimethoxyphenyl)-N-[(3,5-…

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) 2.61 10.53 -19.44 0 6 0 57 393.487 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-chlorophenyl)-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-N-methyl-acetamide 2-(4-chlorophenyl)-N-[(3,5-dimet…

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) 3.64 2.28 -12.15 0 4 0 38 367.88 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-bromophenyl)-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-N-methyl-acetamide 2-(4-bromophenyl)-N-[(3,5-dimeth…

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 1.67 -12.11 0 4 0 38 412.331 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-N-methyl-2-(4-nitrophenyl)-acetamide N-[(3,5-dimethyl-1-phenyl-pyrazo…

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) 2.92 12.11 -18.95 0 7 0 84 378.432 6 ↓

Analogs

7989335
7989335

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-chlorophenyl)-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-N-methyl-acetamide 2-(2-chlorophenyl)-N-[(3,5-dimet…

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) 3.59 2.19 -13.59 0 4 0 38 367.88 5 ↓

Analogs

8388287
8388287

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-2-(3-fluorophenyl)-N-methyl-acetamide N-[(3,5-dimethyl-1-phenyl-pyrazo…

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) 3.10 3.17 -16.57 0 4 0 38 351.425 5 ↓

Analogs

8062733
8062733
8388314
8388314

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-2-(2-methoxyphenyl)-N-methyl-acetamide N-[(3,5-dimethyl-1-phenyl-pyrazo…

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 2.43 -15.08 0 5 0 47 363.461 6 ↓

Analogs

8062733
8062733
8388314
8388314

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,4-dimethoxyphenyl)-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-N-methyl-acetamide 2-(2,4-dimethoxyphenyl)-N-[(3,5-…

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 2.45 -16.35 0 6 0 56 393.487 7 ↓

Analogs

13010738
13010738
8062378
8062378
8062403
8062403
8062404
8062404
8062405
8062405

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl 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) 3.30 11.56 -14.08 1 6 0 73 409.461 8 ↓

Analogs

13010737
13010737
8062378
8062378
8062403
8062403
8062404
8062404

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl 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) 3.30 11.6 -13.92 1 6 0 73 409.461 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-(2,4-difluorophenyl)pyrazol-4-yl]methyl]-2-(3-hydroxyphenyl)acetamide N-[[1-(2,4-difluorophenyl)pyrazo…

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 5.88 -16.29 2 5 0 67 343.333 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-(2,4-difluorophenyl)pyrazol-4-yl]methyl]-2-(2-hydroxyphenyl)acetamide N-[[1-(2,4-difluorophenyl)pyrazo…

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 5.94 -14.54 2 5 0 67 343.333 5 ↓

Parameters Provided:

ring.id = 5702
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 = 5702 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=5702&filter.purchasability=annotated

Embed Link to Results