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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: 5-(DIMETHYLAMINO)-2-PYRIDINEMETHANOL 5-(DIMETHYLAMINO)-2-PYRIDINEMETH…

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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 0.57 -6.13 1 3 0 36 152.197 2 ↓
Mid Mid (pH 6-8) 0.38 0.99 -27.36 2 3 1 38 153.205 2 ↓

Analogs

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Popular Name: 1-phenyl-1,5-dihydro-4H-imidazol-4-one 1-phenyl-1,5-dihydro-4H-imidazol…

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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) 1.07 4.09 -11.99 0 3 0 33 160.176 1 ↓
Mid Mid (pH 6-8) 1.17 4.48 -25.88 1 3 0 42 160.176 1 ↓

Analogs

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Popular Name: (2-amino-1H-imidazol-5-yl)methanol (2-amino-1H-imidazol-5-yl)methanol

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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 -0.52 -28.47 5 4 1 76 114.128 1 ↓
Hi High (pH 8-9.5) -0.69 -0.98 -7.84 4 4 0 75 113.12 1 ↓
Hi High (pH 8-9.5) -0.69 -1.01 -9.44 4 4 0 75 113.12 1 ↓

Analogs

33845297
33845297

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Popular Name: 3-Methyl-1H-pyrazole-5-carboxamide 3-Methyl-1H-pyrazole-5-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) -0.40 -1.7 -9.01 3 4 0 72 125.131 1 ↓
Ref Reference (pH 7) -0.40 -1.66 -8.89 3 4 0 72 125.131 1 ↓

Analogs

19727528
19727528

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Popular Name: (1-Aminomethyl-cyclohexyl)-dimethyl-amine (1-Aminomethyl-cyclohexyl)-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) 1.12 3.47 -113.98 4 2 2 32 158.289 2 ↓
Mid Mid (pH 6-8) 1.12 2.99 -27.63 3 2 1 30 157.281 2 ↓
Mid Mid (pH 6-8) 1.12 1.5 -39.12 3 2 1 31 157.281 2 ↓

Analogs

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Popular Name: 3,4-dichloro-N-[(1-dimethylamino)cyclohexylmethyl]benzamide 3,4-dichloro-N-[(1-dimethylamino…

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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) 4.42 8.58 -47.31 2 3 1 34 330.279 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) 1.54 5.46 -7.47 1 4 0 55 202.213 3 ↓

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) 1.91 6.38 -7.23 1 4 0 55 216.24 4 ↓

Analogs

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Popular Name: Ethyl 4-methyl-1H-imidazole-2-carboxylate Ethyl 4-methyl-1H-imidazole-2-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) 0.46 3.43 -8.74 1 4 0 55 154.169 3 ↓
Ref Reference (pH 7) 0.46 3.41 -7.87 1 4 0 55 154.169 3 ↓

Analogs

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Popular Name: Ethyl 4-chloro-3-methylpicolinate Ethyl 4-chloro-3-methylpicolinate

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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 5.24 -5.73 0 3 0 39 199.637 3 ↓

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 4.07 -7.18 0 4 0 44 190.149 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: 6-methoxy-3-oxo-4H-quinoxaline-2-carboxylic 6-methoxy-3-oxo-4H-quinoxaline-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) 0.58 2.49 -59.89 1 6 -1 95 219.176 2 ↓

Analogs

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Popular Name: 3-keto-6-methyl-4H-quinoxaline-2-carboxylate 3-keto-6-methyl-4H-quinoxaline-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) 0.97 3.86 -60.84 1 5 -1 86 203.177 1 ↓

Analogs

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Popular Name: 3-Methyl-3H-purin-6-amine 3-Methyl-3H-purin-6-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) -1.76 3.83 -35.11 3 5 1 72 150.165 0 ↓
Hi High (pH 8-9.5) -1.76 3.87 -13.83 2 5 0 70 149.157 0 ↓
Hi High (pH 8-9.5) -1.76 3.42 -45.12 1 5 -1 69 148.149 0 ↓

Analogs

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Popular Name: ethyl 4-fluoro-5-methyl-1H-pyrazole-3-carboxylate ethyl 4-fluoro-5-methyl-1H-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) 1.08 3.2 -9.87 1 4 0 55 172.159 3 ↓
Mid Mid (pH 6-8) 1.08 3.18 -6.26 1 4 0 55 172.159 3 ↓

Analogs

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Popular Name: Methyl 4-fluoro-1H-pyrazole-3-carboxylate Methyl 4-fluoro-1H-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) 0.48 1.71 -11.17 1 4 0 55 144.105 2 ↓

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) 1.19 2.68 -48.25 3 3 1 54 158.221 4 ↓

Analogs

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Popular Name: 1-Methyl-1H-imidazol-4-amine hydrochloride 1-Methyl-1H-imidazol-4-amine hyd…

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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) -0.40 2.66 -7.24 2 3 0 44 97.121 0 ↓
Mid Mid (pH 6-8) -0.40 3.16 -28.84 3 3 1 45 98.129 0 ↓
Mid Mid (pH 6-8) -0.40 2.39 -38.16 3 3 1 45 98.129 0 ↓

Analogs

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Popular Name: 1H-Benzoimidazol-4-ol 1H-Benzoimidazol-4-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) 1.16 1.29 -9.07 2 3 0 49 134.138 0 ↓
Hi High (pH 8-9.5) 0.28 2 -49.82 0 3 -1 49 133.13 0 ↓
Lo Low (pH 4.5-6) 1.16 2.54 -40.51 2 3 0 53 134.138 0 ↓

Analogs

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Popular Name: Pyrimido[4,5-g]quinazoline Pyrimido[4,5-g]quinazoline

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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 4.94 -8.41 0 4 0 52 182.186 0 ↓

Analogs

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Popular Name: 1-(4-Bromo-2-methoxyphenyl)-4-ethyl-1H-imidazole 1-(4-Bromo-2-methoxyphenyl)-4-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) 3.07 8.36 -6.52 0 3 0 27 281.153 3 ↓
Mid Mid (pH 6-8) 3.07 8.83 -27.85 1 3 1 28 282.161 3 ↓

Analogs

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Popular Name: 6-(Difluoromethyl)pyridin-3-ol 6-(Difluoromethyl)pyridin-3-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) 1.26 1.95 -20.35 1 2 0 37 145.108 1 ↓
Mid Mid (pH 6-8) 1.26 1.54 -38.37 0 2 -1 36 144.1 1 ↓
Mid Mid (pH 6-8) 1.26 0.77 -6.59 1 2 0 33 145.108 1 ↓

Analogs

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Popular Name: Benzyl (5-formyl-1H-imidazol-2-yl)carbamate Benzyl (5-formyl-1H-imidazol-2-y…

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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 5.73 -14.59 2 6 0 84 245.238 5 ↓
Hi High (pH 8-9.5) 1.58 5.38 -43.22 1 6 -1 82 244.23 5 ↓

Analogs

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Popular Name: tert-Butyl (5-formyl-1H-imidazol-2-yl)carbamate tert-Butyl (5-formyl-1H-imidazol…

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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) 1.17 3.76 -13.48 2 6 0 84 211.221 4 ↓
Mid Mid (pH 6-8) 1.17 3.42 -42.57 1 6 -1 82 210.213 4 ↓
Mid Mid (pH 6-8) 1.17 3.71 -6.54 2 6 0 84 211.221 4 ↓

Analogs

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Popular Name: 2-Amino-1H-imidazole-5-carbaldehyde 2-Amino-1H-imidazole-5-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) -0.24 1.78 -34.44 4 4 1 73 112.112 1 ↓
Mid Mid (pH 6-8) -0.24 1.33 -16.12 3 4 0 72 111.104 1 ↓

Analogs

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Popular Name: 2-Chloro-4-methoxymethyl-pyrimidine 2-Chloro-4-methoxymethyl-pyrimidine

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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 2.17 -5.15 0 3 0 35 158.588 2 ↓

Analogs

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Popular Name: 5-Methoxy-1H-pyrazole-3-carboxylic acid 5-Methoxy-1H-pyrazole-3-carboxyl…

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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 -0.65 -39.02 1 5 -1 78 141.106 2 ↓

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) 0.57 -0.59 -5.73 1 5 0 64 156.141 3 ↓

Analogs

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Popular Name: methyl 3-(2-fluorophenyl)-1H-pyrazole-5-carboxylate methyl 3-(2-fluorophenyl)-1H-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) 2.18 5.33 -8.71 1 4 0 55 220.203 3 ↓
Ref Reference (pH 7) 2.18 5.26 -7.88 1 4 0 55 220.203 3 ↓

Analogs

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Popular Name: Ethyl 3-(4-Fluorophenyl)-1H-pyrazole-5-carboxylate Ethyl 3-(4-Fluorophenyl)-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) 2.60 6.19 -6.07 1 4 0 55 234.23 4 ↓

Analogs

4955324
4955324
44242583
44242583
44242587
44242587
44242594
44242594
44242598
44242598

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Popular Name: methyl 3-tert-butyl-1H-pyrazole-5-carboxylate methyl 3-tert-butyl-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) 2.34 4.08 -5.25 1 4 0 55 182.223 3 ↓

Analogs

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Popular Name: 4-(4-(Trifluoromethoxy)phenoxy)benzoic acid 4-(4-(Trifluoromethoxy)phenoxy)b…

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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) 4.57 7.69 -45.32 0 4 -1 59 297.208 5 ↓

Analogs

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Popular Name: 6-Hydroxypyrimidine-4-carboxamide 6-Hydroxypyrimidine-4-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) -1.26 -1.89 -16.33 3 5 0 89 139.114 1 ↓
Mid Mid (pH 6-8) -0.81 -4 -44.49 2 5 -1 92 138.106 1 ↓

Analogs

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Popular Name: Methyl 5-hydroxy-6-methoxypicolinate Methyl 5-hydroxy-6-methoxypicoli…

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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) 0.73 -0.3 -8.14 1 5 0 69 183.163 3 ↓
Hi High (pH 8-9.5) 0.73 0.62 -39.64 0 5 -1 71 182.155 3 ↓

Analogs

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Popular Name: 1-Methyl-1H-pyrazol-5-ol 1-Methyl-1H-pyrazol-5-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) -0.17 0.85 -15.33 1 3 0 38 98.105 0 ↓
Mid Mid (pH 6-8) 0.29 -0.4 -41.81 0 3 -1 41 97.097 0 ↓

Analogs

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Popular Name: 6-(tert-Butyl)picolinic acid 6-(tert-Butyl)picolinic acid

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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 5.89 -54.4 0 3 -1 53 178.211 2 ↓
Lo Low (pH 4.5-6) 2.12 6.08 -30.89 1 3 0 54 179.219 2 ↓

Analogs

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Popular Name: 4-bromo-5-nitro-1H-imidazole 4-bromo-5-nitro-1H-imidazole

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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 4.15 -14.98 1 5 0 75 191.972 1 ↓
Hi High (pH 8-9.5) 0.94 3.69 -28.94 0 5 -1 73 190.964 1 ↓
Mid Mid (pH 6-8) 0.94 4.65 -45.43 2 5 1 76 192.98 1 ↓

Analogs

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Popular Name: 4-(1,3-dioxolan-2-yl)pyridine-2-carbonitrile 4-(1,3-dioxolan-2-yl)pyridine-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) 0.64 2.65 -7.34 0 4 0 55 176.175 1 ↓

Analogs

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Popular Name: Ethyl 2-acetylpyridine-4-carboxylate Ethyl 2-acetylpyridine-4-carboxy…

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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) 1.55 4.89 -9.83 0 4 0 56 193.202 4 ↓

Analogs

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Popular Name: 2-Acetylisonicotinic acid 2-Acetylisonicotinic acid

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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) 0.92 3.92 -47.62 0 4 -1 70 164.14 2 ↓

Analogs

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Popular Name: 2-Acetylisonicotinaldehyde 2-Acetylisonicotinaldehyde

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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 3.03 -7.39 0 3 0 47 149.149 2 ↓

Analogs

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Popular Name: 2-(Trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine 2-(Trifluoromethyl)-6,7-dihydro-…

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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 3.02 -51.36 2 2 1 29 189.16 1 ↓
Mid Mid (pH 6-8) 1.26 1.53 -6.56 1 2 0 25 188.152 1 ↓

Analogs

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Popular Name: 6,7-dihydro-5H-pyrrolo[3,4-e]pyridin-2-ol 6,7-dihydro-5H-pyrrolo[3,4-e]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) -0.04 0.66 -59.49 3 3 1 49 137.162 0 ↓
Hi High (pH 8-9.5) -0.04 -0.85 -9.49 2 3 0 45 136.154 0 ↓

Analogs

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Popular Name: 2-Methoxy-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine 2-Methoxy-6,7-dihydro-5H-pyrrolo…

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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 0.48 -46.67 2 3 1 39 151.189 1 ↓
Hi High (pH 8-9.5) 0.70 -1.01 -5.79 1 3 0 34 150.181 1 ↓

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Popular Name: 2,2-bis(2-Iodophenyl)propanal 2,2-bis(2-Iodophenyl)propanal

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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) 5.84 9.77 -5.58 0 1 0 17 462.068 3 ↓

Analogs

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Popular Name: Tert-butyl 3-(bromomethyl)-1H-pyrazolo[4,3-c]pyridine-1-carboxylate Tert-butyl 3-(bromomethyl)-1H-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) 2.58 5.57 -9.38 0 5 0 57 312.167 3 ↓

Analogs

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Popular Name: Ethyl 2-(difluoromethyl)-6-hydroxynicotinate Ethyl 2-(difluoromethyl)-6-hydro…

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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 1.85 -41.23 0 4 -1 62 216.163 4 ↓
Mid Mid (pH 6-8) 1.52 3.79 -8.35 1 4 0 59 217.171 4 ↓

Analogs

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Popular Name: 6-Chloro-2-(difluoromethyl)nicotinic acid 6-Chloro-2-(difluoromethyl)nicot…

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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 4.64 -42.25 0 3 -1 53 206.555 2 ↓

Analogs

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Popular Name: 2-Chloro-5-hydroxyisonicotinaldehyde 2-Chloro-5-hydroxyisonicotinalde…

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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 0.11 -8.47 1 3 0 50 157.556 1 ↓
Hi High (pH 8-9.5) 1.38 2.42 -41.41 0 3 -1 53 156.548 1 ↓

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