UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[(4-dimethylaminophenyl)methyl]-N-ethyl-pyrazine-2-carboxamide N-[(4-dimethylaminophenyl)methyl…

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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) 1.78 7.45 -10.46 0 5 0 49 284.363 5 ↓
Lo Low (pH 4.5-6) 1.78 8.25 -25.13 1 5 0 51 285.371 5 ↓

Analogs

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Popular Name: (2S)-2-[(5-methylpyrazine-2-carbonyl)amino]-2-phenyl-propanoic (2S)-2-[(5-methylpyrazine-2-carb…

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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) 1.16 5.56 -58.92 1 6 -1 95 284.295 4 ↓

Analogs

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Popular Name: (2R)-2-[(5-methylpyrazine-2-carbonyl)amino]-2-phenyl-propanoic (2R)-2-[(5-methylpyrazine-2-carb…

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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) 1.16 5.56 -58.96 1 6 -1 95 284.295 4 ↓

Analogs

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Popular Name: (2R)-2-phenyl-2-(pyrazine-2-carbonylamino)propanoic (2R)-2-phenyl-2-(pyrazine-2-carb…

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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) 0.94 4.97 -59.02 1 6 -1 95 270.268 4 ↓

Analogs

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Popular Name: (2S)-2-phenyl-2-(pyrazine-2-carbonylamino)propanoic (2S)-2-phenyl-2-(pyrazine-2-carb…

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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) 0.94 4.97 -58.97 1 6 -1 95 270.268 4 ↓

Analogs

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Popular Name: N-[[4-(2-aminoethyl)phenyl]methyl]pyrazine-2-carboxamide N-[[4-(2-aminoethyl)phenyl]methy…

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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) 0.05 1.87 -52.65 4 5 1 83 257.317 5 ↓

Analogs

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Popular Name: N-[[4-(2-aminoethyl)phenyl]methyl]-5-methyl-pyrazine-2-carboxamide N-[[4-(2-aminoethyl)phenyl]methy…

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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) 0.27 2.47 -53.13 4 5 1 83 271.344 5 ↓

Analogs

6322025
6322025
4367428
4367428
4367471
4367471

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Popular Name: N-(3-amino-3-oxo-propyl)-N-benzyl-pyrazine-2-carboxamide N-(3-amino-3-oxo-propyl)-N-benzy…

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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) 0.31 3.85 -12.09 2 6 0 89 284.319 6 ↓

Analogs

10321064
10321064

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Popular Name: 3-amino-N-[[4-(difluoromethoxy)phenyl]methyl]pyrazine-2-carboxamide 3-amino-N-[[4-(difluoromethoxy)p…

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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) 1.28 1.74 -10.03 3 6 0 90 294.261 5 ↓
Mid Mid (pH 6-8) 1.35 -0.39 -13.42 4 6 0 95 295.269 5 ↓

Analogs

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Popular Name: 3-amino-N-[(4-fluoro-3-methyl-phenyl)methyl]pyrazine-2-carboxamide 3-amino-N-[(4-fluoro-3-methyl-ph…

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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) 1.21 2.86 -7.76 3 5 0 81 260.272 3 ↓
Lo Low (pH 4.5-6) 1.28 0.73 -11.18 4 5 0 86 261.28 3 ↓

Analogs

26384132
26384132

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Popular Name: 3-amino-N-[[3-(butanoylamino)phenyl]methyl]pyrazine-2-carboxamide 3-amino-N-[[3-(butanoylamino)phe…

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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) 1.26 2.64 -14.02 4 7 0 110 313.361 6 ↓

Analogs

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Popular Name: 3-amino-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazine-2-carboxamide 3-amino-N-methyl-N-[[4-(trifluor…

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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) 1.81 4.74 -10.74 2 5 0 72 310.279 4 ↓

Analogs

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Popular Name: N-[[4-(isopropylsulfamoylmethyl)phenyl]methyl]-5-methyl-pyrazine-2-carboxamide N-[[4-(isopropylsulfamoylmethyl)…

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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) 1.09 2.07 -18.47 2 7 0 101 362.455 7 ↓

Analogs

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Popular Name: N-[(4-fluoro-3-methyl-phenyl)methyl]-5-methyl-pyrazine-2-carboxamide N-[(4-fluoro-3-methyl-phenyl)met…

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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) 1.82 4.35 -8.77 1 4 0 55 259.284 3 ↓

Analogs

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Popular Name: 5-methyl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyrazine-2-carboxamide 5-methyl-N-[[4-(2,2,2-trifluoroe…

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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) 2.16 4.78 -12.24 1 5 0 64 339.317 7 ↓

Analogs

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Popular Name: 3-amino-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazine-2-carboxamide 3-amino-N-[[3-(trifluoromethyl)p…

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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) 1.54 3.15 -8.28 3 5 0 81 296.252 4 ↓
Mid Mid (pH 6-8) 1.61 1.03 -11.61 4 5 0 86 297.26 4 ↓

Analogs

13012692
13012692

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Popular Name: N-[(1R)-1-(4-fluorophenyl)ethyl]-5-methyl-pyrazine-2-carboxamide N-[(1R)-1-(4-fluorophenyl)ethyl]…

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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) 2.01 4.56 -8.48 1 4 0 55 259.284 3 ↓

Analogs

13012691
13012691

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Popular Name: N-[(1S)-1-(4-fluorophenyl)ethyl]-5-methyl-pyrazine-2-carboxamide N-[(1S)-1-(4-fluorophenyl)ethyl]…

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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) 2.01 4.56 -8.49 1 4 0 55 259.284 3 ↓

Analogs

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Popular Name: 3-amino-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazine-2-carboxamide 3-amino-N-[(2,4,5-trimethoxyphen…

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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) 0.30 0.69 -11.75 3 8 0 109 318.333 6 ↓

Analogs

13012927
13012927

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Popular Name: N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]pyrazine-2-carboxamide N-[(1R)-1-(2,5-dimethoxyphenyl)e…

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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) 1.66 2.56 -11 1 6 0 73 287.319 5 ↓

Analogs

13012926
13012926

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Popular Name: N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]pyrazine-2-carboxamide N-[(1S)-1-(2,5-dimethoxyphenyl)e…

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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) 1.66 2.58 -11.04 1 6 0 73 287.319 5 ↓

Analogs

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Popular Name: 3-amino-N-[(3-chlorophenyl)methyl]-N-methyl-pyrazine-2-carboxamide 3-amino-N-[(3-chlorophenyl)methy…

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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) 1.57 4.24 -12.79 2 5 0 72 276.727 3 ↓

Analogs

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Popular Name: N-[(4-chlorophenyl)methyl]-N-(2-dimethylaminoethyl)-5-methyl-pyrazine-2-carboxamide N-[(4-chlorophenyl)methyl]-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) 2.24 9.39 -51.26 1 5 1 51 333.843 6 ↓
Hi High (pH 8-9.5) 2.24 6.91 -8.08 0 5 0 49 332.835 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-chlorophenyl)methyl]-N-(2-dimethylaminoethyl)pyrazine-2-carboxamide N-[(4-chlorophenyl)methyl]-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) 2.02 8.84 -52.08 1 5 1 51 319.816 6 ↓
Hi High (pH 8-9.5) 2.02 6.22 -7.98 0 5 0 49 318.808 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazine-2-carboxamide N-[[4-(2,2,2-trifluoroethoxy)phe…

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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) 2.04 3.74 -10.82 1 5 0 64 311.263 6 ↓

Analogs

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Popular Name: N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-5-methyl-pyrazine-2-carboxamide N-[(1R)-1-(2,5-dimethylphenyl)et…

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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) 2.67 5.72 -8.21 1 4 0 55 269.348 3 ↓

Analogs

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Popular Name: N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-5-methyl-pyrazine-2-carboxamide N-[(1S)-1-(2,5-dimethylphenyl)et…

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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) 2.67 6.09 -9.32 1 4 0 55 269.348 3 ↓

Analogs

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Popular Name: N-[(1R)-1-(2,4-difluorophenyl)ethyl]-5-methyl-pyrazine-2-carboxamide N-[(1R)-1-(2,4-difluorophenyl)et…

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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) 2.10 4.62 -9.33 1 4 0 55 277.274 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(2,4-difluorophenyl)ethyl]-5-methyl-pyrazine-2-carboxamide N-[(1S)-1-(2,4-difluorophenyl)et…

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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) 2.10 4.64 -9.39 1 4 0 55 277.274 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(3,4-difluorophenyl)ethyl]pyrazine-2-carboxamide N-[(1R)-1-(3,4-difluorophenyl)et…

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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) 1.88 4.01 -9.61 1 4 0 55 263.247 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(3,4-difluorophenyl)ethyl]pyrazine-2-carboxamide N-[(1S)-1-(3,4-difluorophenyl)et…

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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) 1.88 4.02 -9.63 1 4 0 55 263.247 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(3,4-difluorophenyl)ethyl]-5-methyl-pyrazine-2-carboxamide N-[(1R)-1-(3,4-difluorophenyl)et…

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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) 2.10 4.62 -9.37 1 4 0 55 277.274 3 ↓

Analogs

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Popular Name: N-[(1S)-1-(3,4-difluorophenyl)ethyl]-5-methyl-pyrazine-2-carboxamide N-[(1S)-1-(3,4-difluorophenyl)et…

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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) 2.10 4.62 -9.38 1 4 0 55 277.274 3 ↓

Analogs

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Popular Name: N-[(1R)-1-(2,4-dichloro-5-fluoro-phenyl)ethyl]pyrazine-2-carboxamide N-[(1R)-1-(2,4-dichloro-5-fluoro…

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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) 3.00 4.89 -7.87 1 4 0 55 314.147 3 ↓

Analogs

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Popular Name: N-[(1S)-1-(2,4-dichloro-5-fluoro-phenyl)ethyl]pyrazine-2-carboxamide N-[(1S)-1-(2,4-dichloro-5-fluoro…

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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) 3.00 4.92 -7.85 1 4 0 55 314.147 3 ↓

Analogs

21634534
21634534

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Popular Name: N-[[2-(dimethylsulfamoyl)phenyl]methyl]pyrazine-2-carboxamide N-[[2-(dimethylsulfamoyl)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) 0.33 2.11 -18.45 1 7 0 92 320.374 5 ↓

Analogs

21634534
21634534

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Popular Name: 3-amino-N-[[2-(dimethylsulfamoyl)phenyl]methyl]pyrazine-2-carboxamide 3-amino-N-[[2-(dimethylsulfamoyl…

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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) -0.07 1.26 -17.82 3 8 0 118 335.389 5 ↓

Analogs

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Popular Name: N-[(1R)-2-hydroxy-1-phenyl-ethyl]-5-methyl-pyrazine-2-carboxamide N-[(1R)-2-hydroxy-1-phenyl-ethyl…

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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) 0.84 1.31 -8.96 2 5 0 75 257.293 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-hydroxy-1-phenyl-ethyl]-5-methyl-pyrazine-2-carboxamide N-[(1S)-2-hydroxy-1-phenyl-ethyl…

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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) 0.84 1.32 -8.95 2 5 0 75 257.293 4 ↓

Analogs

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Popular Name: N-[(1S)-2-hydroxy-1-phenyl-ethyl]pyrazine-2-carboxamide N-[(1S)-2-hydroxy-1-phenyl-ethyl…

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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) 0.61 0.72 -9.21 2 5 0 75 243.266 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-hydroxy-1-phenyl-ethyl]pyrazine-2-carboxamide N-[(1R)-2-hydroxy-1-phenyl-ethyl…

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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) 0.61 0.72 -9.19 2 5 0 75 243.266 4 ↓

Analogs

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Popular Name: N-benzyl-N-(2-diethylaminoethyl)pyrazine-2-carboxamide N-benzyl-N-(2-diethylaminoethyl)…

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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 9.64 -47.61 1 5 1 51 313.425 8 ↓
Hi High (pH 8-9.5) 2.09 7.4 -7.86 0 5 0 49 312.417 8 ↓

Analogs

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Popular Name: methyl methyl

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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) 1.36 4.26 -12.49 1 6 0 81 307.256 5 ↓

Analogs

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Popular Name: methyl methyl

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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) 1.36 4.24 -12.6 1 6 0 81 307.256 5 ↓

Analogs

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Popular Name: N2-[(4-fluorophenyl)methyl]-N3,N3-dimethyl-pyrazine-2,3-dicarboxamide N2-[(4-fluorophenyl)methyl]-N3,N…

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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) 0.90 4.22 -17.36 1 6 0 75 302.309 4 ↓

Analogs

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Popular Name: methyl methyl

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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) 1.58 4.84 -12.26 1 6 0 81 321.283 5 ↓

Analogs

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Popular Name: methyl methyl

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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) 1.58 5.13 -9.78 1 6 0 81 321.283 5 ↓

Analogs

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Popular Name: methyl methyl

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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) 0.60 5.42 -11.32 1 6 0 81 331.397 7 ↓

Analogs

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Popular Name: methyl methyl

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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) 0.60 5.41 -11.41 1 6 0 81 331.397 7 ↓

Analogs

4490441
4490441
25917014
25917014

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Popular Name: N-[(4-methoxyphenyl)methyl]-5-methyl-N-propyl-pyrazine-2-carboxamide N-[(4-methoxyphenyl)methyl]-5-me…

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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) 2.46 7.71 -9.95 0 5 0 55 299.374 6 ↓

Parameters Provided:

ring.id = 27949
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 = 27949 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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