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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (E)-3-(2-bromophenyl)-N-(2-tert-butyl-5-methyl-pyrazol-3-yl)prop-2-enamide (E)-3-(2-bromophenyl)-N-(2-tert-…

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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) 4.03 9.7 -13.72 1 4 0 47 362.271 4 ↓

Analogs

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Popular Name: (E)-3-(3-chlorophenyl)-N-[2-(2-cyanoethyl)-5-methyl-pyrazol-3-yl]prop-2-enamide (E)-3-(3-chlorophenyl)-N-[2-(2-c…

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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 8.84 -15.28 1 5 0 71 314.776 5 ↓

Analogs

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Popular Name: (Z)-N-(2,5-dimethylpyrazol-3-yl)-3-(4-methoxyphenyl)prop-2-enamide (Z)-N-(2,5-dimethylpyrazol-3-yl)…

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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) 2.32 6.22 -14.54 1 5 0 56 271.32 4 ↓

Analogs

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Popular Name: (Z)-3-(4-chlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)prop-2-enamide (Z)-3-(4-chlorophenyl)-N-(2,5-di…

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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) 2.94 7.42 -13.06 1 4 0 47 275.739 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-(4-chlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)prop-2-enamide (E)-3-(4-chlorophenyl)-N-(2,5-di…

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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) 2.94 7.46 -12.37 1 4 0 47 275.739 3 ↓

Analogs

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Popular Name: (Z)-N-(2,5-dimethylpyrazol-3-yl)-3-(3-methoxyphenyl)prop-2-enamide (Z)-N-(2,5-dimethylpyrazol-3-yl)…

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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) 2.29 6.2 -13.9 1 5 0 56 271.32 4 ↓

Analogs

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Popular Name: (E)-N-(2,5-dimethylpyrazol-3-yl)-3-(3-methoxyphenyl)prop-2-enamide (E)-N-(2,5-dimethylpyrazol-3-yl)…

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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) 2.29 6.24 -14.14 1 5 0 56 271.32 4 ↓

Analogs

40072588
40072588

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Popular Name: (Z)-N-(2,5-dimethylpyrazol-3-yl)-3-(2-methoxyphenyl)prop-2-enamide (Z)-N-(2,5-dimethylpyrazol-3-yl)…

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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) 2.09 6.26 -12.57 1 5 0 56 271.32 4 ↓

Analogs

40072588
40072588

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Popular Name: (E)-N-(2,5-dimethylpyrazol-3-yl)-3-(2-methoxyphenyl)prop-2-enamide (E)-N-(2,5-dimethylpyrazol-3-yl)…

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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) 2.09 6.3 -14.66 1 5 0 56 271.32 4 ↓

Analogs

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Popular Name: (Z)-N-(2,5-dimethylpyrazol-3-yl)-3-(4-fluorophenyl)prop-2-enamide (Z)-N-(2,5-dimethylpyrazol-3-yl)…

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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 6.97 -13.9 1 4 0 47 259.284 3 ↓

Analogs

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Popular Name: (Z)-3-(2,6-difluorophenyl)-N-(2,5-dimethylpyrazol-3-yl)prop-2-enamide (Z)-3-(2,6-difluorophenyl)-N-(2,…

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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) 2.31 7.02 -12.84 1 4 0 47 277.274 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-(2,6-difluorophenyl)-N-(2,5-dimethylpyrazol-3-yl)prop-2-enamide (E)-3-(2,6-difluorophenyl)-N-(2,…

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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) 2.31 7.12 -12.88 1 4 0 47 277.274 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-N-(2,5-dimethylpyrazol-3-yl)-3-phenyl-but-2-enamide (E)-N-(2,5-dimethylpyrazol-3-yl)…

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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) 2.14 7.74 -9.97 1 4 0 47 255.321 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (Z)-N-(2,5-dimethylpyrazol-3-yl)-3-phenyl-but-2-enamide (Z)-N-(2,5-dimethylpyrazol-3-yl)…

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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) 2.14 7.64 -11.97 1 4 0 47 255.321 3 ↓

Analogs

40072599
40072599

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Popular Name: (E)-N-(2,5-dimethylpyrazol-3-yl)-3-(2-fluorophenyl)but-2-enamide (E)-N-(2,5-dimethylpyrazol-3-yl)…

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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) 2.26 7.8 -12.07 1 4 0 47 273.311 3 ↓

Analogs

40072599
40072599

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Popular Name: (Z)-N-(2,5-dimethylpyrazol-3-yl)-3-(2-fluorophenyl)but-2-enamide (Z)-N-(2,5-dimethylpyrazol-3-yl)…

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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) 2.26 7.7 -12.31 1 4 0 47 273.311 3 ↓

Analogs

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Popular Name: (Z)-N-(2,5-dimethylpyrazol-3-yl)-3-(4-fluorophenyl)but-2-enamide (Z)-N-(2,5-dimethylpyrazol-3-yl)…

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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) 2.31 7.71 -12.9 1 4 0 47 273.311 3 ↓

Analogs

41829363
41829363
33847393
33847393

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Popular Name: (Z)-N-(2,5-dimethylpyrazol-3-yl)-3-(p-tolyl)prop-2-enamide (Z)-N-(2,5-dimethylpyrazol-3-yl)…

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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) 2.71 7.57 -12.58 1 4 0 47 255.321 3 ↓

Analogs

41829361
41829361
33847393
33847393

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Popular Name: (E)-N-(2,5-dimethylpyrazol-3-yl)-3-(p-tolyl)prop-2-enamide (E)-N-(2,5-dimethylpyrazol-3-yl)…

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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) 2.71 7.62 -12.01 1 4 0 47 255.321 3 ↓

Analogs

41829441
41829441

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Popular Name: (Z)-3-(4-bromophenyl)-N-(2,5-dimethylpyrazol-3-yl)prop-2-enamide (Z)-3-(4-bromophenyl)-N-(2,5-dim…

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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) 3.07 7.53 -13.03 1 4 0 47 320.19 3 ↓

Analogs

41829439
41829439

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Popular Name: (E)-3-(4-bromophenyl)-N-(2,5-dimethylpyrazol-3-yl)prop-2-enamide (E)-3-(4-bromophenyl)-N-(2,5-dim…

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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) 3.07 7.57 -12.3 1 4 0 47 320.19 3 ↓

Analogs

41829650
41829650

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Popular Name: (Z)-3-(2,6-dichlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)prop-2-enamide (Z)-3-(2,6-dichlorophenyl)-N-(2,…

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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) 3.34 7.76 -11.47 1 4 0 47 310.184 3 ↓

Analogs

41829648
41829648

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Popular Name: (E)-3-(2,6-dichlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)prop-2-enamide (E)-3-(2,6-dichlorophenyl)-N-(2,…

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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) 3.34 7.85 -11.64 1 4 0 47 310.184 3 ↓

Analogs

41829653
41829653
40072602
40072602

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Popular Name: (Z)-3-(4-cyanophenyl)-N-(2,5-dimethylpyrazol-3-yl)prop-2-enamide (Z)-3-(4-cyanophenyl)-N-(2,5-dim…

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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) 2.02 7.3 -15.64 1 5 0 71 266.304 3 ↓

Analogs

41829651
41829651
40072602
40072602

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Popular Name: (E)-3-(4-cyanophenyl)-N-(2,5-dimethylpyrazol-3-yl)prop-2-enamide (E)-3-(4-cyanophenyl)-N-(2,5-dim…

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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) 2.02 7.34 -15.88 1 5 0 71 266.304 3 ↓

Analogs

41829656
41829656

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Popular Name: (Z)-3-(2-bromophenyl)-N-(2,5-dimethylpyrazol-3-yl)prop-2-enamide (Z)-3-(2-bromophenyl)-N-(2,5-dim…

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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) 2.84 7.47 -11.36 1 4 0 47 320.19 3 ↓

Analogs

41829655
41829655

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Popular Name: (E)-3-(2-bromophenyl)-N-(2,5-dimethylpyrazol-3-yl)prop-2-enamide (E)-3-(2-bromophenyl)-N-(2,5-dim…

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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) 2.84 7.46 -14.16 1 4 0 47 320.19 3 ↓

Analogs

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Popular Name: (E)-3-(3-chloro-4-methyl-phenyl)-N-(2,5-dimethylpyrazol-3-yl)prop-2-enamide (E)-3-(3-chloro-4-methyl-phenyl)…

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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) 3.32 8.05 -11.48 1 4 0 47 289.766 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-(2-cyanophenyl)-N-(2,5-dimethylpyrazol-3-yl)prop-2-enamide (E)-3-(2-cyanophenyl)-N-(2,5-dim…

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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) 1.79 7.17 -19.63 1 5 0 71 266.304 3 ↓

Analogs

41829928
41829928
46016045
46016045
46016046
46016046

Draw Identity 99% 90% 80% 70%

Popular Name: (Z)-3-(2,5-dichlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)prop-2-enamide (Z)-3-(2,5-dichlorophenyl)-N-(2,…

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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 7.87 -11.62 1 4 0 47 310.184 3 ↓

Analogs

46016045
46016045
46016046
46016046
41829926
41829926

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-(2,5-dichlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)prop-2-enamide (E)-3-(2,5-dichlorophenyl)-N-(2,…

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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 7.89 -12.25 1 4 0 47 310.184 3 ↓

Analogs

40090317
40090317

Draw Identity 99% 90% 80% 70%

Popular Name: (Z)-3-(3-cyanophenyl)-N-(2,5-dimethylpyrazol-3-yl)prop-2-enamide (Z)-3-(3-cyanophenyl)-N-(2,5-dim…

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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) 1.99 7.29 -14.57 1 5 0 71 266.304 3 ↓

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 178963 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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