UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-(4-amino-2,5-dimethyl-pyrazol-3-yl)-N-methyl-piperidine-4-carboxamide 1-(4-amino-2,5-dimethyl-pyrazol-…

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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) 0.13 2.3 -11.52 3 6 0 76 251.334 2 ↓

Analogs

40437194
40437194
47330884
47330884
47330885
47330885
47330886
47330886
47330887
47330887

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Popular Name: 1-(2,5-dimethyl-4-nitro-pyrazol-3-yl)piperidin-4-amine 1-(2,5-dimethyl-4-nitro-pyrazol-…

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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 4.25 -49.03 3 7 1 95 240.287 2 ↓

Analogs

20468191
20468191

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Popular Name: 5-[(2R)-2-ethyl-1-piperidyl]-1,3-dimethyl-pyrazole-4-carbaldehyde 5-[(2R)-2-ethyl-1-piperidyl]-1,3…

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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) 2.33 6.8 -7.16 0 4 0 38 235.331 3 ↓

Analogs

20468191
20468191

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2S)-2-ethyl-1-piperidyl]-1,3-dimethyl-pyrazole-4-carbaldehyde 5-[(2S)-2-ethyl-1-piperidyl]-1,3…

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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) 2.33 6.7 -7.17 0 4 0 38 235.331 3 ↓

Analogs

20468191
20468191

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2R)-2-ethyl-1-piperidyl]-1,3-dimethyl-pyrazole-4-carboxylic 5-[(2R)-2-ethyl-1-piperidyl]-1,3…

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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) 2.11 7.82 -54.28 0 5 -1 61 250.322 3 ↓
Lo Low (pH 4.5-6) 2.11 7.95 -41.21 1 5 0 62 251.33 3 ↓

Analogs

20468191
20468191

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2S)-2-ethyl-1-piperidyl]-1,3-dimethyl-pyrazole-4-carboxylic 5-[(2S)-2-ethyl-1-piperidyl]-1,3…

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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) 2.11 7.76 -54.42 0 5 -1 61 250.322 3 ↓
Lo Low (pH 4.5-6) 2.11 7.89 -41.24 1 5 0 62 251.33 3 ↓

Analogs

20468191
20468191

Draw Identity 99% 90% 80% 70%

Popular Name: [5-[(2R)-2-ethyl-1-piperidyl]-1,3-dimethyl-pyrazol-4-yl]methanol [5-[(2R)-2-ethyl-1-piperidyl]-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) 1.87 4.15 -6.79 1 4 0 41 237.347 3 ↓

Analogs

20468191
20468191

Draw Identity 99% 90% 80% 70%

Popular Name: [5-[(2S)-2-ethyl-1-piperidyl]-1,3-dimethyl-pyrazol-4-yl]methanol [5-[(2S)-2-ethyl-1-piperidyl]-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) 1.87 4.12 -6.71 1 4 0 41 237.347 3 ↓

Analogs

20468191
20468191

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Popular Name: (2R)-1-[4-(chloromethyl)-2,5-dimethyl-pyrazol-3-yl]-2-ethyl-piperidine (2R)-1-[4-(chloromethyl)-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) 3.11 8.14 -4.52 0 3 0 21 255.793 3 ↓

Analogs

20468191
20468191

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[4-(chloromethyl)-2,5-dimethyl-pyrazol-3-yl]-2-ethyl-piperidine (2S)-1-[4-(chloromethyl)-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) 3.11 8.11 -4.42 0 3 0 21 255.793 3 ↓

Analogs

20468191
20468191
20469564
20469564

Draw Identity 99% 90% 80% 70%

Popular Name: [5-[(2R)-2-ethyl-1-piperidyl]-1,3-dimethyl-pyrazol-4-yl]methanamine [5-[(2R)-2-ethyl-1-piperidyl]-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) 1.72 4.9 -44.79 3 4 1 49 237.371 3 ↓
Hi High (pH 8-9.5) 1.72 4.45 -4.52 2 4 0 47 236.363 3 ↓

Analogs

20468191
20468191
20469564
20469564

Draw Identity 99% 90% 80% 70%

Popular Name: [5-[(2S)-2-ethyl-1-piperidyl]-1,3-dimethyl-pyrazol-4-yl]methanamine [5-[(2S)-2-ethyl-1-piperidyl]-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) 1.72 4.87 -44.56 3 4 1 49 237.371 3 ↓
Hi High (pH 8-9.5) 1.72 4.43 -4.48 2 4 0 47 236.363 3 ↓

Analogs

20527187
20527187
20526893
20526893
20527158
20527158

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[5-[(2R)-2-ethyl-1-piperidyl]-1,3-dimethyl-pyrazol-4-yl]prop-2-enoic (E)-3-[5-[(2R)-2-ethyl-1-piperid…

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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) 2.33 7.44 -56.39 0 5 -1 61 276.36 4 ↓
Lo Low (pH 4.5-6) 2.33 7.56 -59.62 1 5 0 62 277.368 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[5-[(2S)-2-ethyl-1-piperidyl]-1,3-dimethyl-pyrazol-4-yl]prop-2-enoic (E)-3-[5-[(2S)-2-ethyl-1-piperid…

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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) 2.33 7.41 -56.77 0 5 -1 61 276.36 4 ↓
Lo Low (pH 4.5-6) 2.33 7.53 -60.17 1 5 0 62 277.368 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,5-dimethyl-4-nitro-pyrazol-3-yl)-4-methyl-piperidine-4-carboxylic 1-(2,5-dimethyl-4-nitro-pyrazol-…

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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) 0.98 7.81 -55.41 0 8 -1 107 281.292 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,5-dimethyl-4-nitro-pyrazol-3-yl)-4-ethyl-piperidine-4-carboxylic 1-(2,5-dimethyl-4-nitro-pyrazol-…

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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 8.26 -54.3 0 8 -1 107 295.319 4 ↓
Lo Low (pH 4.5-6) 1.32 6.44 -13.06 1 8 0 104 296.327 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(2,5-dimethyl-4-nitro-pyrazol-3-yl)-3-methyl-piperidine-3-carboxylic (3R)-1-(2,5-dimethyl-4-nitro-pyr…

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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) 0.98 8.07 -47.95 0 8 -1 107 281.292 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(2,5-dimethyl-4-nitro-pyrazol-3-yl)-3-methyl-piperidine-3-carboxylic (3S)-1-(2,5-dimethyl-4-nitro-pyr…

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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) 0.98 7.98 -47.67 0 8 -1 107 281.292 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(2,5-dimethyl-4-nitro-pyrazol-3-yl)-3-ethyl-piperidine-3-carboxylic (3S)-1-(2,5-dimethyl-4-nitro-pyr…

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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 8.49 -46.83 0 8 -1 107 295.319 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(2,5-dimethyl-4-nitro-pyrazol-3-yl)-3-ethyl-piperidine-3-carboxylic (3R)-1-(2,5-dimethyl-4-nitro-pyr…

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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 8.09 -44.9 0 8 -1 107 295.319 4 ↓

Analogs

42446562
42446562

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Popular Name: 5-(4-ethyl-4-methyl-1-piperidyl)-1,3-dimethyl-pyrazol-4-amine 5-(4-ethyl-4-methyl-1-piperidyl)…

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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 5.46 -4.52 2 4 0 47 236.363 2 ↓

Analogs

42446562
42446562

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Popular Name: 5-(4,4-diethyl-1-piperidyl)-1,3-dimethyl-pyrazol-4-amine 5-(4,4-diethyl-1-piperidyl)-1,3-…

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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) 2.48 5.96 -4.39 2 4 0 47 250.39 3 ↓

Analogs

42446947
42446947

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Popular Name: 5-(4-ethyl-4-methyl-1-piperidyl)-1,3-dimethyl-pyrazole-4-carbaldehyde 5-(4-ethyl-4-methyl-1-piperidyl)…

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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) 2.45 7.39 -7.01 0 4 0 38 249.358 3 ↓

Analogs

42446947
42446947

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4,4-diethyl-1-piperidyl)-1,3-dimethyl-pyrazole-4-carbaldehyde 5-(4,4-diethyl-1-piperidyl)-1,3-…

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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) 2.78 7.91 -6.85 0 4 0 38 263.385 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-ethyl-4-methyl-1-piperidyl)-1,3-dimethyl-pyrazole-4-carboxylic 5-(4-ethyl-4-methyl-1-piperidyl)…

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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) 2.23 8.5 -51.77 0 5 -1 61 264.349 3 ↓
Lo Low (pH 4.5-6) 2.23 8.62 -39.51 1 5 0 62 265.357 3 ↓

Analogs

42447056
42447056

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Popular Name: [5-(4-ethyl-4-methyl-1-piperidyl)-1,3-dimethyl-pyrazol-4-yl]methanol [5-(4-ethyl-4-methyl-1-piperidyl…

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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) 2.00 4.88 -6.57 1 4 0 41 251.374 3 ↓

Analogs

42447056
42447056

Draw Identity 99% 90% 80% 70%

Popular Name: [5-(4,4-diethyl-1-piperidyl)-1,3-dimethyl-pyrazol-4-yl]methanol [5-(4,4-diethyl-1-piperidyl)-1,3…

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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) 2.33 5.36 -6.45 1 4 0 41 265.401 4 ↓

Analogs

42447074
42447074

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Popular Name: 1-[4-(chloromethyl)-2,5-dimethyl-pyrazol-3-yl]-4-ethyl-4-methyl-piperidine 1-[4-(chloromethyl)-2,5-dimethyl…

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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) 3.23 8.82 -4.39 0 3 0 21 269.82 3 ↓

Analogs

42447074
42447074

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(chloromethyl)-2,5-dimethyl-pyrazol-3-yl]-4,4-diethyl-piperidine 1-[4-(chloromethyl)-2,5-dimethyl…

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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) 3.57 9.31 -4.25 0 3 0 21 283.847 4 ↓

Analogs

42447161
42447161

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Popular Name: [5-(4-ethyl-4-methyl-1-piperidyl)-1,3-dimethyl-pyrazol-4-yl]methanamine [5-(4-ethyl-4-methyl-1-piperidyl…

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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) 1.84 5.59 -45.26 3 4 1 49 251.398 3 ↓
Hi High (pH 8-9.5) 1.84 5.18 -4.43 2 4 0 47 250.39 3 ↓

Analogs

42447179
42447179

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[5-(4-ethyl-4-methyl-1-piperidyl)-1,3-dimethyl-pyrazol-4-yl]-N-methyl-methanamine 1-[5-(4-ethyl-4-methyl-1-piperid…

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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) 2.22 7.46 -39.98 2 4 1 38 265.425 4 ↓
Hi High (pH 8-9.5) 2.22 6 -4 1 4 0 33 264.417 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(4-ethyl-4-methyl-1-piperidyl)-1,3-dimethyl-pyrazol-4-yl]methyl]ethanamine N-[[5-(4-ethyl-4-methyl-1-piperi…

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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) 2.59 8.32 -38.75 2 4 1 38 279.452 5 ↓
Hi High (pH 8-9.5) 2.59 6.93 -3.77 1 4 0 33 278.444 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(4-ethyl-4-methyl-1-piperidyl)-1,3-dimethyl-pyrazol-4-yl]methyl]propan-1-amine N-[[5-(4-ethyl-4-methyl-1-piperi…

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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) 3.10 8.99 -39.38 2 4 1 38 293.479 6 ↓
Hi High (pH 8-9.5) 3.10 7.62 -3.61 1 4 0 33 292.471 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(4-ethyl-4-methyl-1-piperidyl)-1,3-dimethyl-pyrazol-4-yl]methyl]propan-2-amine N-[[5-(4-ethyl-4-methyl-1-piperi…

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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) 2.89 8.85 -37.13 2 4 1 38 293.479 5 ↓
Hi High (pH 8-9.5) 2.89 7.64 -3.6 1 4 0 33 292.471 5 ↓

Analogs

42447161
42447161

Draw Identity 99% 90% 80% 70%

Popular Name: [5-(4,4-diethyl-1-piperidyl)-1,3-dimethyl-pyrazol-4-yl]methanamine [5-(4,4-diethyl-1-piperidyl)-1,3…

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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) 2.18 6.06 -45.23 3 4 1 49 265.425 4 ↓
Hi High (pH 8-9.5) 2.18 5.66 -4.38 2 4 0 47 264.417 4 ↓

Analogs

42447179
42447179

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[5-(4,4-diethyl-1-piperidyl)-1,3-dimethyl-pyrazol-4-yl]-N-methyl-methanamine 1-[5-(4,4-diethyl-1-piperidyl)-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) 2.55 7.94 -39.89 2 4 1 38 279.452 5 ↓
Hi High (pH 8-9.5) 2.55 6.49 -3.86 1 4 0 33 278.444 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(4,4-diethyl-1-piperidyl)-1,3-dimethyl-pyrazol-4-yl]methyl]ethanamine N-[[5-(4,4-diethyl-1-piperidyl)-…

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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) 2.93 8.8 -38.76 2 4 1 38 293.479 6 ↓
Hi High (pH 8-9.5) 2.93 7.42 -3.65 1 4 0 33 292.471 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[5-(4-ethyl-4-methyl-1-piperidyl)-1,3-dimethyl-pyrazol-4-yl]prop-2-enoic (E)-3-[5-(4-ethyl-4-methyl-1-pip…

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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) 2.45 8.05 -56.96 0 5 -1 61 290.387 4 ↓
Lo Low (pH 4.5-6) 2.45 8.18 -61.01 1 5 0 62 291.395 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(3,3-dimethyl-1-piperidyl)-1,3-dimethyl-pyrazol-4-amine 5-(3,3-dimethyl-1-piperidyl)-1,3…

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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 4.99 -4.5 2 4 0 47 222.336 1 ↓

Analogs

42162128
42162128
42162130
42162130
36748999
36748999
36749001
36749001

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Popular Name: [(3S)-1-(2,5-dimethyl-4-nitro-pyrazol-3-yl)-3-piperidyl]methanol [(3S)-1-(2,5-dimethyl-4-nitro-py…

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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) 0.86 4.3 -10.55 1 7 0 87 254.29 3 ↓

Analogs

42162128
42162128
42162130
42162130
36748999
36748999
36749001
36749001

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-1-(2,5-dimethyl-4-nitro-pyrazol-3-yl)-3-piperidyl]methanol [(3R)-1-(2,5-dimethyl-4-nitro-py…

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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) 0.86 4.32 -10.53 1 7 0 87 254.29 3 ↓

Analogs

44514809
44514809
36748975
36748975
36748995
36748995
36748996
36748996
36749245
36749245

Draw Identity 99% 90% 80% 70%

Popular Name: [1-(2,5-dimethyl-4-nitro-pyrazol-3-yl)-4-piperidyl]methanol [1-(2,5-dimethyl-4-nitro-pyrazol…

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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) 0.86 4.32 -8.59 1 7 0 87 254.29 3 ↓

Analogs

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Popular Name: 2-[1-(2,5-dimethyl-4-nitro-pyrazol-3-yl)-4-piperidyl]ethanamine 2-[1-(2,5-dimethyl-4-nitro-pyraz…

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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) 0.75 5.63 -49.28 3 7 1 95 268.341 4 ↓

Analogs

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Popular Name: 5-[4-(2-aminoethyl)-1-piperidyl]-1,3-dimethyl-pyrazole-4-carboxamide 5-[4-(2-aminoethyl)-1-piperidyl]…

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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) -0.39 1.62 -54.01 5 6 1 92 266.369 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[4-(2-aminoethyl)-1-piperidyl]-1,3-dimethyl-pyrazole-4-carbonitrile 5-[4-(2-aminoethyl)-1-piperidyl]…

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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) 0.55 5.34 -48.19 3 5 1 72 248.354 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-(2,5-dimethyl-4-nitro-pyrazol-3-yl)-4-piperidyl]-N-methyl-ethanamine 2-[1-(2,5-dimethyl-4-nitro-pyraz…

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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) 1.73 7.51 -44.65 2 7 1 83 282.368 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3-dimethyl-5-[4-[2-(methylamino)ethyl]-1-piperidyl]pyrazole-4-carboxamide 1,3-dimethyl-5-[4-[2-(methylamin…

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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) 0.59 3.5 -49.17 4 6 1 81 280.396 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3-dimethyl-5-[4-[2-(methylamino)ethyl]-1-piperidyl]pyrazole-4-carbonitrile 1,3-dimethyl-5-[4-[2-(methylamin…

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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) 1.53 7.22 -43.6 2 5 1 61 262.381 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R)-1-(2,5-dimethyl-4-nitro-pyrazol-3-yl)-2-piperidyl]-N-methyl-ethanamine 2-[(2R)-1-(2,5-dimethyl-4-nitro-…

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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) 1.67 6.87 -43.61 2 7 1 83 282.368 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-1-(2,5-dimethyl-4-nitro-pyrazol-3-yl)-2-piperidyl]-N-methyl-ethanamine 2-[(2S)-1-(2,5-dimethyl-4-nitro-…

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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) 1.67 6.84 -43.71 2 7 1 83 282.368 5 ↓

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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Structural Results Found: (before additional filtering)

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