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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: 1-propyl-1H-pyrazole-3-carbaldehyde 1-propyl-1H-pyrazole-3-carbaldehyde

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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) 1.29 3.65 -7.7 0 3 0 35 138.17 3 ↓

Analogs

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Popular Name: 2-(4-(4-Aminophenyl)piperazin-1-yl)ethanol 2-(4-(4-Aminophenyl)piperazin-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) 0.38 -1.54 -7.76 3 4 0 53 221.304 3 ↓

Analogs

32007753
32007753
36157466
36157466
36157470
36157470
36159520
36159520
36162168
36162168

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Popular Name: [5-(4-Methylphenyl)isoxazol-3-yl]methanol [5-(4-Methylphenyl)isoxazol-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) 2.37 3.57 -8 1 3 0 46 189.214 2 ↓

Analogs

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Popular Name: 2-keto-7-methyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic-acid-ethyl-ester 2-keto-7-methyl-1H-pyrazolo[1,5-…

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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) 0.43 3.69 -10.45 1 6 0 76 221.216 3 ↓
Ref Reference (pH 7) 0.89 1.09 -8.93 1 6 0 77 221.216 3 ↓

Analogs

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Popular Name: 1-(2,2-difluoroethyl)pyrazole-3-carboxamide 1-(2,2-difluoroethyl)pyrazole-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) 0.02 0.22 -10.82 2 4 0 61 175.138 3 ↓

Analogs

196524
196524

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Popular Name: 1-Methyl-1H-pyrazole-3-carboxamide 1-Methyl-1H-pyrazole-3-carboxamide

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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) -0.56 -0.92 -10.36 2 4 0 61 125.131 1 ↓

Analogs

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Popular Name: 2-(thiophen-2-yl)propan-2-ol 2-(thiophen-2-yl)propan-2-ol

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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) 1.98 -1.41 -4.19 1 1 0 20 142.223 1 ↓

Analogs

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Popular Name: 3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine 3-[3-(trifluoromethyl)-1H-pyrazo…

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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 5.92 -10.04 1 5 0 59 271.246 2 ↓
Hi High (pH 8-9.5) 2.16 5.88 -38.12 0 5 -1 58 270.238 2 ↓
Mid Mid (pH 6-8) 2.16 6.03 -8.74 1 5 0 59 271.246 2 ↓

Analogs

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Popular Name: 5-Hydroxy-isoxazole-3-carboxylic acid ethyl ester 5-Hydroxy-isoxazole-3-carboxylic…

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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) 0.46 3.8 -6.83 0 5 0 65 157.125 3 ↓
Ref Reference (pH 7) 0.77 2.42 -37.1 0 5 -1 75 156.117 3 ↓

Analogs

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Popular Name: 1-(1-propylpyrazol-4-yl)ethanone 1-(1-propylpyrazol-4-yl)ethanone

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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 2.24 -7.51 1 4 0 50 167.212 3 ↓

Analogs

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Popular Name: 3-Bromo-1-methyl-1H-pyrazole 3-Bromo-1-methyl-1H-pyrazole

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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 2.77 -6.68 0 2 0 18 161.002 0 ↓

Analogs

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Popular Name: 1,5-dimethyl-1H-imidazole-2-carbaldehyde 1,5-dimethyl-1H-imidazole-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) 0.11 3.21 -6.96 0 3 0 35 124.143 1 ↓
Lo Low (pH 4.5-6) 0.11 3.65 -34.16 1 3 1 36 125.151 1 ↓

Analogs

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Popular Name: 1,4-dimethyl-1H-imidazole-2-carbaldehyde 1,4-dimethyl-1H-imidazole-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) 0.11 3.21 -14.89 0 3 0 35 124.143 1 ↓
Lo Low (pH 4.5-6) 0.11 3.6 -31.52 1 3 1 36 125.151 1 ↓

Analogs

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Popular Name: 4-fluoro-1H-indazol-3-amine 4-fluoro-1H-indazol-3-amine

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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) 0.72 2.42 -28.82 3 3 1 52 152.152 0 ↓
Ref Reference (pH 7) 0.72 2.42 -28.84 3 3 1 52 152.152 0 ↓
Ref Reference (pH 7) 1.35 2.24 -6.43 3 3 0 55 151.144 0 ↓

Analogs

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Popular Name: N,1-dimethylpyrazole-3-carboxamide N,1-dimethylpyrazole-3-carboxamide

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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) -0.18 0.57 -10.72 1 4 0 47 139.158 1 ↓

Analogs

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Popular Name: 2-(difluoromethoxy)-3-methoxy-benzaldehyde 2-(difluoromethoxy)-3-methoxy-be…

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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) 2.73 2.41 -10.4 1 4 0 51 217.171 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(1,5-dimethyl-1H-pyrazol-4-yl)ethanone oxime 1-(1,5-dimethyl-1H-pyrazol-4-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) 0.50 1.32 -7.66 1 4 0 50 153.185 1 ↓
Ref Reference (pH 7) 0.50 1.14 -9.78 1 4 0 50 153.185 1 ↓

Analogs

34599242
34599242
36977656
36977656
36978013
36978013

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-methylpyrazol-1-yl)aniline 4-(4-methylpyrazol-1-yl)aniline

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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) 1.11 4.21 -8.9 2 3 0 44 173.219 1 ↓

Analogs

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Popular Name: 5-amino-2-methyl-pyrazole-3-carboxamide 5-amino-2-methyl-pyrazole-3-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) -0.95 -2.28 -9.75 4 5 0 87 140.146 1 ↓

Analogs

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Popular Name: 4-(2,2-difluoroethoxy)benzaldehyde 4-(2,2-difluoroethoxy)benzaldehyde

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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) 2.98 2.88 -9.53 1 3 0 42 201.172 4 ↓

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) 1.38 4.33 -13.06 0 4 0 44 208.139 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl 3-(difluoromethyl)-1H-pyrazole-5-carboxylate ethyl 3-(difluoromethyl)-1H-pyra…

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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 3.4 -6.48 1 4 0 55 190.149 4 ↓
Mid Mid (pH 6-8) 1.54 3.38 -8.02 1 4 0 55 190.149 4 ↓

Analogs

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Popular Name: 1-ethyl-4-methyl-1H-pyrazol-5-amine 1-ethyl-4-methyl-1H-pyrazol-5-amine

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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 2.62 -6.27 2 3 0 44 125.175 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-ethyl-2-methyl-pyrazole-3-carboxamide 4-amino-N-ethyl-2-methyl-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) -0.39 -0.85 -8.7 3 5 0 73 168.2 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(Trifluoromethyl)pyrazole-3-carboxamide 5-(Trifluoromethyl)pyrazole-3-ca…

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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) 0.51 -1.27 -9.21 3 4 0 72 179.101 2 ↓
Hi High (pH 8-9.5) 0.51 -1.46 -31.11 2 4 -1 70 178.093 2 ↓
Mid Mid (pH 6-8) 0.51 -1.3 -6.62 3 4 0 72 179.101 2 ↓

Analogs

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Popular Name: 1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide 1-methyl-5-(trifluoromethyl)pyra…

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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) 0.58 -0.16 -7.34 2 4 0 61 193.128 2 ↓

Analogs

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Popular Name: 2-(difluoromethyl)pyrazole-3-carboxamide 2-(difluoromethyl)pyrazole-3-car…

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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) 0.00 -0.8 -10.98 2 4 0 61 161.111 2 ↓

Analogs

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Popular Name: 4-amino-N,2-diethyl-pyrazole-3-carboxamide 4-amino-N,2-diethyl-pyrazole-3-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) -0.02 0.02 -8.65 3 5 0 73 182.227 3 ↓

Analogs

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Popular Name: 2-Isopropyl-4-methyl-2H-pyrazol-3-ylamine 2-Isopropyl-4-methyl-2H-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) 1.11 3.34 -7.56 2 3 0 44 139.202 1 ↓
Mid Mid (pH 6-8) 1.11 3.47 -27.72 3 3 1 45 140.21 1 ↓

Analogs

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Popular Name: 4-(2,2-difluoroethoxy)-3-methoxy-benzaldehyde 4-(2,2-difluoroethoxy)-3-methoxy…

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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) 2.57 2.78 -12 1 4 0 51 231.198 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) 1.63 4.59 -10.46 0 4 0 44 224.594 4 ↓

Analogs

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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) 1.39 4.06 -9.61 0 4 0 44 190.149 4 ↓

Analogs

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Popular Name: 1-(difluoromethyl)pyrazole-3-carboxamide 1-(difluoromethyl)pyrazole-3-car…

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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) 0.00 -0.77 -9.9 2 4 0 61 161.111 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(difluoromethyl)pyrazole-3-carbonitrile 2-(difluoromethyl)pyrazole-3-car…

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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 2.53 -7.75 0 3 0 42 143.096 1 ↓

Analogs

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Popular Name: 1-[4-(difluoromethoxy)phenyl]ethanone 1-[4-(difluoromethoxy)phenyl]eth…

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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 2.45 -8.36 1 3 0 42 201.172 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(2,2-difluoroethoxy)-3-methoxy-phenyl]ethanone 1-[4-(2,2-difluoroethoxy)-3-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) 2.12 3.3 -13.9 1 4 0 51 245.225 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(2,2-difluoroethoxy)phenyl]propan-1-one 1-[4-(2,2-difluoroethoxy)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) 3.03 4.12 -9.56 1 3 0 42 229.226 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(1,3-dimethylpyrazol-4-yl)-2,2-difluoro-ethanone 1-(1,3-dimethylpyrazol-4-yl)-2,2…

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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) 0.70 1.46 -9.49 1 4 0 50 189.165 2 ↓
Hi High (pH 8-9.5) 0.70 2.47 -48.32 0 4 -1 53 188.157 2 ↓
Hi High (pH 8-9.5) 0.70 2.61 -48.6 0 4 -1 53 188.157 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dimethyl-4H-1,2,4-triazol-4-amine 3,5-dimethyl-4H-1,2,4-triazol-4-…

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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 2.33 -10.49 2 4 0 57 112.136 0 ↓

Analogs

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Popular Name: 1-(4-methoxyphenyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-one 1-(4-methoxyphenyl)-4-(trifluoro…

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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) 4.00 8.94 -8.65 0 3 0 31 323.314 3 ↓

Analogs

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Popular Name: 1,2,4-Oxadiazole-5-carboxylic acid, 3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-, ethyl ester 1,2,4-Oxadiazole-5-carboxylic ac…

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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) 1.47 -0.06 -8.85 0 7 0 83 329.154 5 ↓

Analogs

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Popular Name: (3-Methyl-isoxazol-5-yl)-acetonitrile (3-Methyl-isoxazol-5-yl)-acetoni…

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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) 0.85 3.42 -12.47 0 3 0 50 122.127 1 ↓

Analogs

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Popular Name: (5-methyl-3-isoxazolyl)acetonitrile (5-methyl-3-isoxazolyl)acetonitrile

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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) 0.85 3.38 -13.42 0 3 0 50 122.127 1 ↓

Analogs

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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) 0.97 4.76 -8.95 1 6 0 77 235.243 4 ↓
Hi High (pH 8-9.5) 1.43 2.59 -42.11 0 6 -1 80 234.235 4 ↓

Analogs

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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) 1.46 6.29 -12.45 0 5 0 57 219.244 4 ↓

Analogs

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Popular Name: 1-(1-ethyl-3-methyl-pyrazol-4-yl)-2,2,3,3,4,4,4-heptafluoro-butan-1-one 1-(1-ethyl-3-methyl-pyrazol-4-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) 2.64 6.31 -6.48 0 3 0 35 306.181 5 ↓

Analogs

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Popular Name: 1-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone 1-(7-methylpyrazolo[1,5-a]pyrimi…

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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) 0.67 4.21 -10.68 0 4 0 47 175.191 1 ↓

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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) 0.69 2.35 -26.85 0 6 0 86 247.272 6 ↓

Analogs

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Popular Name: Isoxazolo[5,4-b]pyridin-6(7H)-one, 3,4-dimethyl- (9CI) Isoxazolo[5,4-b]pyridin-6(7H)-on…

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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 1.32 -9.76 1 4 0 59 164.164 0 ↓

Analogs

21800193
21800193
21815807
21815807
36683306
36683306
36683310
36683310
36722280
36722280

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Popular Name: {3-[(4-chlorophenoxy)methyl]phenyl}amine {3-[(4-chlorophenoxy)methyl]phen…

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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 6.15 -5.5 2 2 0 35 233.698 3 ↓

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filter.purchasability = purchasable

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