Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_8eclj5a00hfue03dg1vo265990, 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

2787333
2787333

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(4-chlorophenoxy)methyl]-N-(4-methylcyclohexyl)pyrazole-3-carboxamide 1-[(4-chlorophenoxy)methyl]-N-(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) 3.84 -0.69 -8.83 1 5 0 56 347.846 5 ↓

Analogs

2787333
2787333
2786949
2786949

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(4-chlorophenoxy)methyl]-N-cyclohexyl-pyrazole-3-carboxamide 1-[(4-chlorophenoxy)methyl]-N-cy…

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) 4.07 -1.61 -9.24 1 5 0 56 333.819 5 ↓

Analogs

2787761
2787761

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(4-bromophenoxy)methyl]-N-(4-methylcyclohexyl)pyrazole-3-carboxamide 1-[(4-bromophenoxy)methyl]-N-(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) 3.97 -1.3 -8.83 1 5 0 56 392.297 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2,3-dichlorophenoxy)methyl]-N-(4-methylcyclohexyl)pyrazole-3-carboxamide 1-[(2,3-dichlorophenoxy)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) 4.42 -0.76 -11.28 1 5 0 56 382.291 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2-bromo-4-chloro-phenoxy)methyl]-N-cyclohexyl-pyrazole-3-carboxamide 1-[(2-bromo-4-chloro-phenoxy)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) 4.81 -2.29 -10.05 1 5 0 56 412.715 5 ↓

Analogs

2794484
2794484

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclohexyl-1-[(2,4-dichlorophenoxy)methyl]pyrazole-3-carboxamide N-cyclohexyl-1-[(2,4-dichlorophe…

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) 4.68 -1.7 -10.09 1 5 0 56 368.264 5 ↓

Analogs

2794484
2794484
2794280
2794280

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclohexyl-1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carboxamide N-cyclohexyl-1-[(2,6-dichlorophe…

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) 4.65 -1.48 -9.22 1 5 0 56 368.264 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(4-fluorophenoxy)methyl]-N-(4-methylcyclohexyl)pyrazole-3-carboxamide 1-[(4-fluorophenoxy)methyl]-N-(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) 3.33 0.2 -9.47 1 5 0 56 331.391 5 ↓

Analogs

2794484
2794484

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2,6-dichlorophenoxy)methyl]-N-(4-methylcyclohexyl)pyrazole-3-carboxamide 1-[(2,6-dichlorophenoxy)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) 4.42 -1.11 -9.15 1 5 0 56 382.291 5 ↓

Analogs

2794484
2794484

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2-chlorophenoxy)methyl]-N-(4-methylcyclohexyl)pyrazole-3-carboxamide 1-[(2-chlorophenoxy)methyl]-N-(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) 3.79 -1.19 -10.06 1 5 0 56 347.846 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(4-chloro-3-methyl-phenoxy)methyl]-N-(4-methylcyclohexyl)pyrazole-3-carboxamide 1-[(4-chloro-3-methyl-phenoxy)me…

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) 4.22 -0.37 -8.8 1 5 0 56 361.873 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(4-chloro-3-methyl-phenoxy)methyl]-N-cyclohexyl-pyrazole-3-carboxamide 1-[(4-chloro-3-methyl-phenoxy)me…

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) 4.45 -1.3 -9.17 1 5 0 56 347.846 5 ↓

Analogs

2800351
2800351
27971915
27971915
27972156
27972156
27972160
27972160
28229291
28229291

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclohexyl-1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carboxamide N-cyclohexyl-1-[(2,4-dimethylphe…

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) 4.22 -0.74 -8.72 1 5 0 56 327.428 5 ↓

Parameters Provided:

ring.id = 235751
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 = 235751 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=235751&filter.purchasability=annotated

Embed Link to Results