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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

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) 1.41 5.51 -11.73 1 5 0 68 270.288 5 ↓

Analogs

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Popular Name: N-(2-amino-2-oxo-ethyl)-N-[(4-aminophenyl)methyl]pyridine-4-carboxamide N-(2-amino-2-oxo-ethyl)-N-[(4-am…

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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) -1.18 1.69 -15.09 4 6 0 102 284.319 5 ↓

Analogs

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Popular Name: N-(2-amino-2-oxo-ethyl)-N-[(3-aminophenyl)methyl]pyridine-4-carboxamide N-(2-amino-2-oxo-ethyl)-N-[(3-am…

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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) -1.20 1.68 -14.99 4 6 0 102 284.319 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-amino-2-oxo-ethyl)-N-[(2-aminophenyl)methyl]pyridine-4-carboxamide N-(2-amino-2-oxo-ethyl)-N-[(2-am…

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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) -0.82 1.91 -13.25 4 6 0 102 284.319 5 ↓

Analogs

32117342
32117342

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-amino-3-oxo-propyl)-N-benzyl-pyridine-4-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) 0.02 4.22 -14.06 2 5 0 76 283.331 6 ↓

Analogs

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Popular Name: (2R)-2-phenyl-2-(pyridine-4-carbonylamino)propanoic (2R)-2-phenyl-2-(pyridine-4-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) 1.12 6.79 -57.02 1 5 -1 82 269.28 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-phenyl-2-(pyridine-4-carbonylamino)propanoic (2S)-2-phenyl-2-(pyridine-4-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) 1.12 6.79 -57.02 1 5 -1 82 269.28 4 ↓

Analogs

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Popular Name: N-[[4-(2-aminoethyl)phenyl]methyl]pyridine-4-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) 0.22 3.69 -53.48 4 4 1 70 256.329 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3-aminophenyl)methyl]pyridine-4-carboxamide N-[(3-aminophenyl)methyl]pyridin…

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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) 0.29 2.74 -8.6 3 4 0 68 227.267 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(methylamino)-N-[(3-nitrophenyl)methyl]pyridine-4-carboxamide 2-(methylamino)-N-[(3-nitropheny…

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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) 1.37 5.23 -14.12 2 7 0 100 286.291 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-N-[(3-nitrophenyl)methyl]pyridine-4-carboxamide 2-amino-N-[(3-nitrophenyl)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) 1.00 4.33 -13.89 3 7 0 114 272.264 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-6-chloro-N-[(3-nitrophenyl)methyl]pyridine-4-carboxamide 2-amino-6-chloro-N-[(3-nitrophen…

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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 4.75 -12.73 3 7 0 114 306.709 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-hydrazino-N-[(3-nitrophenyl)methyl]pyridine-4-carboxamide 2-hydrazino-N-[(3-nitrophenyl)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) 0.76 4.23 -14.65 4 8 0 126 287.279 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethylsulfanyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-4-carboxamide 2-ethylsulfanyl-N-[[4-(methylcar…

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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) 1.75 5.16 -15.89 2 5 0 71 329.425 6 ↓

Analogs

37978794
37978794
37978796
37978796
37978801
37978801
37978807
37978807
37978811
37978811

Draw Identity 99% 90% 80% 70%

Popular Name: 2-Chloro-N-ethyl-N-phenylisonicotinamide 2-Chloro-N-ethyl-N-phenylisonico…

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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) 2.41 7.93 -10.87 0 3 0 33 274.751 4 ↓

Analogs

25386145
25386145
25386195
25386195

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-[(1S)-1-(4-ureidophenyl)ethyl]pyridine-4-carboxamide 2-chloro-N-[(1S)-1-(4-ureidophen…

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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) 1.95 2.19 -15.16 4 6 0 97 318.764 4 ↓

Analogs

25386145
25386145
25386195
25386195

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-[(1R)-1-(4-ureidophenyl)ethyl]pyridine-4-carboxamide 2-chloro-N-[(1R)-1-(4-ureidophen…

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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) 1.95 2.18 -15.58 4 6 0 97 318.764 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(dimethylamino)-N-[[3-(2-dimethylaminoethyloxy)phenyl]methyl]pyridine-4-carboxamide 2-(dimethylamino)-N-[[3-(2-dimet…

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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) 1.75 8.19 -44.07 2 6 1 59 343.451 8 ↓
Hi High (pH 8-9.5) 1.75 5.66 -10.68 1 6 0 58 342.443 8 ↓
Lo Low (pH 4.5-6) 1.75 8.51 -81.33 3 6 2 60 344.459 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-N-[[4-[(2-amino-2-oxo-ethyl)carbamoyl]phenyl]methyl]-6-chloro-pyridine-4-carboxamide 2-amino-N-[[4-[(2-amino-2-oxo-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) 0.01 -0.66 -15.13 6 8 0 140 361.789 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-allyl-N-[(5-bromo-2-fluoro-phenyl)methyl]-2-chloro-pyridine-4-carboxamide N-allyl-N-[(5-bromo-2-fluoro-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) 3.58 8.92 -10.26 0 3 0 33 383.648 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-allyl-2-ethylsulfanyl-N-[(3-nitrophenyl)methyl]pyridine-4-carboxamide N-allyl-2-ethylsulfanyl-N-[(3-ni…

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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) 2.91 10.78 -9.39 0 6 0 79 357.435 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-allyl-2-chloro-N-[(3-cyanophenyl)methyl]pyridine-4-carboxamide N-allyl-2-chloro-N-[(3-cyanophen…

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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) 2.41 8.67 -14.6 0 4 0 57 311.772 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-hydroxy-1-phenyl-ethyl]pyridine-4-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) 0.79 2.54 -8.72 2 4 0 62 242.278 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-hydroxy-1-phenyl-ethyl]pyridine-4-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) 0.79 2.54 -8.71 2 4 0 62 242.278 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(dimethylamino)-N-[(1R)-2-hydroxy-1-phenyl-ethyl]pyridine-4-carboxamide 2-(dimethylamino)-N-[(1R)-2-hydr…

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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) 1.24 4.03 -9.84 2 5 0 65 285.347 5 ↓
Lo Low (pH 4.5-6) 1.24 4.43 -35.39 3 5 1 67 286.355 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(dimethylamino)-N-[(1S)-2-hydroxy-1-phenyl-ethyl]pyridine-4-carboxamide 2-(dimethylamino)-N-[(1S)-2-hydr…

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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) 1.24 4.03 -9.87 2 5 0 65 285.347 5 ↓
Lo Low (pH 4.5-6) 1.24 4.43 -35.36 3 5 1 67 286.355 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-[(1S)-2-hydroxy-1-phenyl-ethyl]pyridine-4-carboxamide 2-chloro-N-[(1S)-2-hydroxy-1-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) 1.81 2.97 -9.56 2 4 0 62 276.723 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-[(1R)-2-hydroxy-1-phenyl-ethyl]pyridine-4-carboxamide 2-chloro-N-[(1R)-2-hydroxy-1-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) 1.81 2.97 -9.54 2 4 0 62 276.723 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,6-dichloro-N-[(1S)-2-hydroxy-1-phenyl-ethyl]pyridine-4-carboxamide 2,6-dichloro-N-[(1S)-2-hydroxy-1…

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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) 2.83 3.39 -7.15 2 4 0 62 311.168 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,6-dichloro-N-[(1R)-2-hydroxy-1-phenyl-ethyl]pyridine-4-carboxamide 2,6-dichloro-N-[(1R)-2-hydroxy-1…

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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) 2.83 3.39 -7.16 2 4 0 62 311.168 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-fluoro-N-[(1S)-2-hydroxy-1-phenyl-ethyl]pyridine-4-carboxamide 2-fluoro-N-[(1S)-2-hydroxy-1-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) 1.30 2.49 -10.34 2 4 0 62 260.268 4 ↓

Analogs

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Popular Name: 2-fluoro-N-[(1R)-2-hydroxy-1-phenyl-ethyl]pyridine-4-carboxamide 2-fluoro-N-[(1R)-2-hydroxy-1-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) 1.30 2.49 -10.35 2 4 0 62 260.268 4 ↓

Analogs

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Popular Name: 2-chloro-N-[[2-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide 2-chloro-N-[[2-(trifluoromethyl)…

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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) 3.11 6.7 -10.6 1 3 0 42 314.694 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl 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) 1.42 8.88 -10.9 0 5 0 60 316.332 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N-[(4-ethoxyphenyl)methyl]-N-(2-methoxyethyl)pyridine-4-carboxamide 3-chloro-N-[(4-ethoxyphenyl)meth…

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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) 2.25 7.54 -11.61 0 5 0 52 348.83 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N-(2-hydroxyethyl)-N-[(4-methylsulfanylphenyl)methyl]pyridine-4-carboxamide 3-chloro-N-(2-hydroxyethyl)-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) 1.64 5.94 -11.79 1 4 0 53 336.844 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-allyloxyphenyl)methyl]-N-ethyl-pyridine-4-carboxamide N-[(2-allyloxyphenyl)methyl]-N-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) 2.04 9.62 -9.67 0 4 0 42 296.37 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-N-[(1S)-1-(4-methoxyphenyl)propyl]pyridine-4-carboxamide N-ethyl-N-[(1S)-1-(4-methoxyphen…

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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) 2.51 7.75 -9.71 0 4 0 42 298.386 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-N-[(1R)-1-(4-methoxyphenyl)propyl]pyridine-4-carboxamide N-ethyl-N-[(1R)-1-(4-methoxyphen…

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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) 2.51 6.77 -11.84 0 4 0 42 298.386 6 ↓

Analogs

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Popular Name: N-isopropyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyridine-4-carboxamide N-isopropyl-N-[(2,4,5-trimethoxy…

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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) 1.32 6.76 -14.87 0 6 0 61 344.411 7 ↓

Analogs

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Popular Name: N-[(3-acetamidophenyl)methyl]-2-chloro-6-(methylamino)pyridine-4-carboxamide N-[(3-acetamidophenyl)methyl]-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) 1.65 3.85 -13.55 3 6 0 83 332.791 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) 1.86 8.55 -11.74 0 5 0 60 332.787 7 ↓

Analogs

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Popular Name: 2,6-dichloro-N-[(1S)-1-phenylpropyl]pyridine-4-carboxamide 2,6-dichloro-N-[(1S)-1-phenylpro…

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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) 3.44 7.17 -6.56 1 3 0 42 309.196 4 ↓

Analogs

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Popular Name: 2,6-dichloro-N-[(1R)-1-phenylpropyl]pyridine-4-carboxamide 2,6-dichloro-N-[(1R)-1-phenylpro…

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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) 3.44 7.16 -6.53 1 3 0 42 309.196 4 ↓

Analogs

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Popular Name: 2-chloro-N-[(1S)-1-phenylpropyl]pyridine-4-carboxamide 2-chloro-N-[(1S)-1-phenylpropyl]…

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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 6.74 -9.3 1 3 0 42 274.751 4 ↓

Analogs

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Popular Name: 2-chloro-N-[(1R)-1-phenylpropyl]pyridine-4-carboxamide 2-chloro-N-[(1R)-1-phenylpropyl]…

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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 6.74 -9.31 1 3 0 42 274.751 4 ↓

Analogs

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Popular Name: 2,6-dichloro-N-[(2,4-difluorophenyl)methyl]pyridine-4-carboxamide 2,6-dichloro-N-[(2,4-difluorophe…

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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) 3.54 5.8 -7.81 1 3 0 42 317.122 3 ↓

Analogs

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Popular Name: 2-chloro-N-[(2,4-difluorophenyl)methyl]pyridine-4-carboxamide 2-chloro-N-[(2,4-difluorophenyl)…

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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) 2.52 5.38 -10.1 1 3 0 42 282.677 3 ↓

Analogs

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Popular Name: N-[(4-cyanophenyl)methyl]pyridine-4-carboxamide N-[(4-cyanophenyl)methyl]pyridin…

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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) 1.00 5.26 -11.76 1 4 0 66 237.262 3 ↓

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) 1.09 8.25 -15.48 0 5 0 60 334.322 7 ↓

Parameters Provided:

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filter.purchasability = annotated
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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 = 5924 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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