Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_lkrh6lr4dfkon9albg19kt1pr2, 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-methylpyrazol-1-yl)methyl-phenyl-BLAH (4-methylpyrazol-1-yl)methyl-phe…

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) 1.52 1.82 -14.32 0 8 0 78 330.355 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl-phenyl-BLAH [4-bromo-5-methyl-3-(trifluorome…

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 12.17 -13.63 0 8 0 79 477.248 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S)-1-(4-methylpyrazol-1-yl)ethyl]-phenyl-BLAH [(1S)-1-(4-methylpyrazol-1-yl)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) 1.88 1.95 -13.37 0 8 0 78 344.382 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R)-1-(4-methylpyrazol-1-yl)ethyl]-phenyl-BLAH [(1R)-1-(4-methylpyrazol-1-yl)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) 1.88 1.95 -13.36 0 8 0 78 344.382 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3,5-dimethylpyrazol-1-yl)methyl-phenyl-BLAH (3,5-dimethylpyrazol-1-yl)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) 1.59 1.69 -13.55 0 8 0 78 344.382 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-methylpyrazol-1-yl)methyl-phenyl-BLAH (3-methylpyrazol-1-yl)methyl-phe…

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) 1.36 1.61 -15 0 8 0 78 330.355 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3,5-bis(difluoromethyl)pyrazol-1-yl]methyl-phenyl-BLAH [3,5-bis(difluoromethyl)pyrazol-…

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) 2.70 11.77 -17.19 0 8 0 79 416.342 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl-phenyl-BLAH [4-chloro-5-methyl-3-(trifluorom…

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) 3.11 12.1 -13.7 0 8 0 79 432.797 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl-phenyl-BLAH (3,5-dimethyl-4-nitro-pyrazol-1-…

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) 1.47 11.93 -14.99 0 11 0 125 389.379 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S)-1-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethyl]-phenyl-BLAH [(1S)-1-(3,5-dimethyl-4-nitro-py…

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) 1.84 12.46 -14.79 0 11 0 125 403.406 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R)-1-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethyl]-phenyl-BLAH [(1R)-1-(3,5-dimethyl-4-nitro-py…

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) 1.84 12.46 -14.7 0 11 0 125 403.406 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl-phenyl-BLAH [5-methyl-3-(trifluoromethyl)pyr…

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) 2.50 3.57 -13.86 0 8 0 78 398.352 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-methyl-3-nitro-pyrazol-1-yl)methyl-phenyl-BLAH (5-methyl-3-nitro-pyrazol-1-yl)m…

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) 1.45 12.29 -17.1 0 11 0 125 375.352 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-methylpyrazol-1-yl)methyl-phenyl-BLAH (5-methylpyrazol-1-yl)methyl-phe…

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) 1.37 10.64 -13.04 0 8 0 79 330.355 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-chloro-3,5-dimethyl-pyrazol-1-yl)methyl-phenyl-BLAH (4-chloro-3,5-dimethyl-pyrazol-1…

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) 2.19 1.53 -13.9 0 8 0 78 378.827 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S)-1-(4-nitropyrazol-1-yl)ethyl]-phenyl-BLAH [(1S)-1-(4-nitropyrazol-1-yl)eth…

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) 1.39 11.16 -14.67 0 11 0 125 375.352 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R)-1-(4-nitropyrazol-1-yl)ethyl]-phenyl-BLAH [(1R)-1-(4-nitropyrazol-1-yl)eth…

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) 1.39 11.16 -14.66 0 11 0 125 375.352 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-methyl-4-nitro-pyrazol-1-yl)methyl-phenyl-BLAH (3-methyl-4-nitro-pyrazol-1-yl)m…

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) 1.25 11.29 -17.59 0 11 0 125 375.352 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S)-1-(3-methyl-4-nitro-pyrazol-1-yl)ethyl]-phenyl-BLAH [(1S)-1-(3-methyl-4-nitro-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) 1.62 11.64 -14.49 0 11 0 125 389.379 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R)-1-(3-methyl-4-nitro-pyrazol-1-yl)ethyl]-phenyl-BLAH [(1R)-1-(3-methyl-4-nitro-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) 1.62 11.64 -14.44 0 11 0 125 389.379 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-chloropyrazol-1-yl)methyl-phenyl-BLAH (4-chloropyrazol-1-yl)methyl-phe…

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) 1.75 1.35 -13.78 0 8 0 78 350.773 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-bromopyrazol-1-yl)methyl-phenyl-BLAH (4-bromopyrazol-1-yl)methyl-phen…

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) 1.88 0.73 -13.68 0 8 0 78 395.224 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S)-1-(4-chloropyrazol-1-yl)ethyl]-phenyl-BLAH [(1S)-1-(4-chloropyrazol-1-yl)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) 2.11 1.47 -12.42 0 8 0 78 364.8 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R)-1-(4-chloropyrazol-1-yl)ethyl]-phenyl-BLAH [(1R)-1-(4-chloropyrazol-1-yl)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) 2.11 1.47 -12.37 0 8 0 78 364.8 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S)-1-(4-bromopyrazol-1-yl)ethyl]-phenyl-BLAH [(1S)-1-(4-bromopyrazol-1-yl)eth…

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 0.85 -12.32 0 8 0 78 409.251 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R)-1-(4-bromopyrazol-1-yl)ethyl]-phenyl-BLAH [(1R)-1-(4-bromopyrazol-1-yl)eth…

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 0.85 -12.34 0 8 0 78 409.251 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S)-1-(4-chloro-3,5-dimethyl-pyrazol-1-yl)ethyl]-phenyl-BLAH [(1S)-1-(4-chloro-3,5-dimethyl-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) 2.56 1.81 -12.84 0 8 0 78 392.854 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R)-1-(4-chloro-3,5-dimethyl-pyrazol-1-yl)ethyl]-phenyl-BLAH [(1R)-1-(4-chloro-3,5-dimethyl-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) 2.56 12.21 -12.74 0 8 0 79 392.854 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S)-1-(3-methylpyrazol-1-yl)ethyl]-phenyl-BLAH [(1S)-1-(3-methylpyrazol-1-yl)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) 1.73 1.74 -13.98 0 8 0 78 344.382 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R)-1-(3-methylpyrazol-1-yl)ethyl]-phenyl-BLAH [(1R)-1-(3-methylpyrazol-1-yl)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) 1.73 11.03 -13.93 0 8 0 79 344.382 3 ↓

Parameters Provided:

ring.id = 241450
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 = 241450 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=241450&filter.purchasability=annotated

Embed Link to Results