UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (S)-(-)-1-Phenylethylamine (S)-(-)-1-Phenylethylamine

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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) -0.20 3.25 -42.1 3 1 1 28 122.191 1 ↓

Analogs

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Popular Name: (R)-(+)-1-Phenylethylamine (R)-(+)-1-Phenylethylamine

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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) -0.20 3.25 -42.1 3 1 1 28 122.191 1 ↓

Analogs

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Popular Name: Sodium 2-chloroethanesulfonate monohydrate Sodium 2-chloroethanesulfonate m…

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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 -6.04 -37.77 0 3 -1 57 143.571 2 ↓

Analogs

38256242
38256242
39234508
39234508

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Popular Name: 5-Methoxytryptamine 5-Methoxytryptamine

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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) 1.10 2.65 -46.13 4 3 1 53 191.254 3 ↓

Analogs

26506288
26506288

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Popular Name: 5-Acetyl-2,4-dimethylthiazole 5-Acetyl-2,4-dimethylthiazole

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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 3.68 -7.11 0 2 0 30 155.222 1 ↓

Analogs

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Popular Name: 2-Amino-5-bromo-4-t-butylthiazole 2-Amino-5-bromo-4-t-butylthiazole

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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) 3.35 -1.86 -4.39 2 2 0 38 235.15 1 ↓
Lo Low (pH 4.5-6) 3.35 -1.74 -26.98 3 2 1 40 236.158 1 ↓

Analogs

39256170
39256170

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Popular Name: 2-Amino-6-chlorobenzonitrile 2-Amino-6-chlorobenzonitrile

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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 3.16 -6.81 2 2 0 50 152.584 0 ↓

Analogs

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Popular Name: 2-amino-4-methylthiophene-3-carboxamide 2-amino-4-methylthiophene-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) 0.33 -1.33 -8.58 4 3 0 69 156.21 1 ↓

Analogs

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Popular Name: 2-(2-AMINOPHENYL)BENZIMIDAZOLE 2-(2-AMINOPHENYL)BENZIMIDAZOLE

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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 5.7 -7.7 3 3 0 55 209.252 1 ↓

Analogs

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Popular Name: 3,5-di(methylthio)isothiazole-4-carboxamide 3,5-di(methylthio)isothiazole-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) 1.25 0.9 -9.73 2 3 0 56 220.344 3 ↓

Analogs

34476585
34476585
39048775
39048775
39134456
39134456

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Popular Name: 4-tert-Butyl-2-methylthiazole 4-tert-Butyl-2-methylthiazole

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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) 2.53 0.97 -4.06 0 1 0 13 155.266 1 ↓

Analogs

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Popular Name: 3-chloro-1-benzothiophene-2-carbohydrazide 3-chloro-1-benzothiophene-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) 2.13 -5.98 -9.92 3 3 0 55 226.688 1 ↓

Analogs

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Popular Name: 2-(4-chlorobenzoyl)-3,3-di(methylthio)acrylonitrile 2-(4-chlorobenzoyl)-3,3-di(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) 3.15 2.3 -6.03 0 2 0 40 283.805 4 ↓

Analogs

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Popular Name: 5-Chloro-1,3-dimethyl-1H-pyrazole 5-Chloro-1,3-dimethyl-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) 1.41 3.22 -4.36 0 2 0 18 130.578 0 ↓

Analogs

34938929
34938929

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Popular Name: 2-(2-chlorophenoxy)ethanethioamide 2-(2-chlorophenoxy)ethanethioamide

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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 3.89 -14.39 2 2 0 35 201.678 3 ↓

Analogs

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Popular Name: 2,6-DIBROMO-4-CYCLOHEXYLANILINE 2,6-DIBROMO-4-CYCLOHEXYLANILINE

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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) 5.26 -1.7 -1.25 2 1 0 26 333.067 1 ↓

Analogs

11834390
11834390

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Popular Name: 2-(2,4-dichlorophenoxy)acetonitrile 2-(2,4-dichlorophenoxy)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) 3.06 2.07 -10.23 0 2 0 33 202.04 2 ↓

Analogs

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Popular Name: 2-(2,4-dichlorophenoxy)benzonitrile 2-(2,4-dichlorophenoxy)benzonitrile

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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) 4.68 2.96 -7.98 0 2 0 33 264.111 2 ↓

Analogs

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Popular Name: 2,6-Dichlorobenzylideneacetone 2,6-Dichlorobenzylideneacetone

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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) 3.29 1.71 -6.6 0 1 0 17 215.079 2 ↓

Analogs

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Popular Name: 1-(4,5-dihydro-1H-imidazol-2-yl)-3,5-dimethyl-1H-pyrazole hydrobromide 1-(4,5-dihydro-1H-imidazol-2-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) 0.39 4.37 -6.59 1 4 0 42 164.212 1 ↓

Analogs

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Popular Name: ETHYL 2-(4,5-DICHLORO-1H-IMIDAZOL-1-YL)ACETATE ETHYL 2-(4,5-DICHLORO-1H-IMIDAZO…

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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 6.7 -11.52 0 4 0 44 223.059 4 ↓

Analogs

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Popular Name: 1-(4-iodophenyl)-1H-pyrrole 1-(4-iodophenyl)-1H-pyrrole

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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) 3.28 1.55 -3.32 0 1 0 4 269.085 1 ↓

Analogs

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Popular Name: 2-(4-METHOXYPHENOXY)ETHANETHIOAMIDE 2-(4-METHOXYPHENOXY)ETHANETHIOAMIDE

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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 2.61 -13.59 2 3 0 44 197.259 4 ↓

Analogs

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Popular Name: methyl 3-aminobenzoate methyl 3-aminobenzoate

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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 3.02 -6.62 2 3 0 52 151.165 2 ↓

Analogs

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Popular Name: 3-(methylamino)-3,4-dihydroquinazolin-4-one 3-(methylamino)-3,4-dihydroquina…

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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) 0.81 4.13 -8.57 1 4 0 47 175.191 1 ↓

Analogs

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Popular Name: 2-(methylthio)nicotinamide 2-(methylthio)nicotinamide

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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) 0.41 0.76 -11.32 2 3 0 56 168.221 2 ↓

Analogs

26516438
26516438

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Popular Name: Phenoxyacetonitrile Phenoxyacetonitrile

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.78 4.5 -7.91 0 2 0 33 133.15 2 ↓

Analogs

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Popular Name: 2-Piperidin-1-ylmethyl-acrylonitrile 2-Piperidin-1-ylmethyl-acrylonit…

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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) 1.62 4.04 -6.73 0 2 0 27 150.225 2 ↓

Analogs

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Popular Name: Potassium 1-(hydroxyamino)-3-(oxidoamino)-1,3-dioxopropane Potassium 1-(hydroxyamino)-3-(ox…

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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 -3.71 -30.48 4 6 0 99 134.091 2 ↓
Hi High (pH 8-9.5) -1.65 -4.8 -53.44 3 6 -1 105 133.083 2 ↓
Hi High (pH 8-9.5) -1.65 -6.75 -54.19 3 6 -1 105 133.083 2 ↓

Analogs

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Popular Name: 2-(1H-Pyrrol-1-ylmethyl)pyridine 2-(1H-Pyrrol-1-ylmethyl)pyridine

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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) 1.35 6.25 -6.91 0 2 0 18 158.204 2 ↓
Lo Low (pH 4.5-6) 1.35 6.52 -33.45 1 2 1 19 159.212 2 ↓

Analogs

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Popular Name: N-Mesitylthiourea N-Mesitylthiourea

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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 5.15 -11.25 3 2 0 38 194.303 2 ↓

Analogs

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Popular Name: 1,3,5-Trimethylpyrazole 1,3,5-Trimethylpyrazole

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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) 0.83 3.33 -6.68 0 2 0 18 110.16 0 ↓

Analogs

34978126
34978126

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Popular Name: 1,4-Benzodioxan-6-amine 1,4-Benzodioxan-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) 0.52 1.51 -6.18 2 3 0 44 151.165 0 ↓

Analogs

37077336
37077336

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Popular Name: 6-(4-bromophenoxy)pyridin-3-amine 6-(4-bromophenoxy)pyridin-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) 3.25 -2.69 -5.79 2 3 0 48 265.11 2 ↓

Analogs

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Popular Name: 4-(tert-butyl)-6-(methylthio)-1,3,5-triazin-2-amine 4-(tert-butyl)-6-(methylthio)-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) 2.39 -1.83 -6.18 2 4 0 65 198.295 2 ↓

Analogs

21809659
21809659

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Popular Name: 6-[(2,5-dichlorophenyl)thio]pyridin-3-amine 6-[(2,5-dichlorophenyl)thio]pyri…

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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) 4.11 -2.11 -5.8 2 2 0 38 271.172 2 ↓

Analogs

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Popular Name: 4-(ethylthio)-6-isopropyl-1,3,5-triazin-2-amine 4-(ethylthio)-6-isopropyl-1,3,5-…

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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) 2.10 -2.43 -6.14 2 4 0 65 198.295 3 ↓

Analogs

2540428
2540428
34962440
34962440
39648117
39648117

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Popular Name: 1,4-Bis(2,2,2-trifluoroethoxy)benzene 1,4-Bis(2,2,2-trifluoroethoxy)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) 3.90 4.94 -7.59 0 2 0 18 274.16 6 ↓

Analogs

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Popular Name: 3,5-Bis(trifluoromethyl)aniline 3,5-Bis(trifluoromethyl)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) 2.73 3.47 -3.63 2 1 0 26 229.123 2 ↓

Analogs

164391
164391

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Popular Name: 2-Chloro-4-fluorobenzaldehyde 2-Chloro-4-fluorobenzaldehyde

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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) 2.50 2.22 -8.04 0 1 0 17 158.559 1 ↓

Analogs

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Popular Name: Cyclohexyl isothiocyanate Cyclohexyl isothiocyanate

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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) 3.51 -1.15 -1.46 0 1 0 12 141.239 1 ↓

Analogs

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Popular Name: 3,5-Dichlorobenzaldehyde 3,5-Dichlorobenzaldehyde

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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) 3.01 1.31 -5.64 0 1 0 17 175.014 1 ↓

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Popular Name: 1-(3,4-Dichlorophenyl)-2-thiourea 1-(3,4-Dichlorophenyl)-2-thiourea

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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) 2.26 4.37 -11.55 3 2 0 38 221.112 2 ↓
Hi High (pH 8-9.5) 2.94 4.42 -34.43 2 2 -1 38 220.104 1 ↓

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Popular Name: 1,2-Difluorobenzene 1,2-Difluorobenzene

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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 4.62 -4.92 0 0 0 0 114.094 0 ↓

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Popular Name: 2,5-Dimethyl-3(2H)-furanone 2,5-Dimethyl-3(2H)-furanone

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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) 0.88 2.71 -6.53 0 2 0 26 112.128 0 ↓
Ref Reference (pH 7) 0.88 2.71 -6.54 0 2 0 26 112.128 0 ↓

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Popular Name: Methyl 6-chloronicotinate Methyl 6-chloronicotinate

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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 3.81 -5.27 0 3 0 39 171.583 2 ↓

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Popular Name: 3,4-(Methylenedioxy)aniline 3,4-(Methylenedioxy)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) 0.90 1.01 -6.11 2 3 0 44 137.138 0 ↓

Analogs

34980658
34980658

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Popular Name: (4-Methylphenylthio)acetone (4-Methylphenylthio)acetone

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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 1.38 -8.11 0 1 0 17 180.272 3 ↓

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Popular Name: 3-Iodobenzotrifluoride 3-Iodobenzotrifluoride

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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) 3.89 2.53 -2.57 0 0 0 0 272.007 1 ↓

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Popular Name: Pivalamide Pivalamide

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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 0.18 -7.12 2 2 0 43 101.149 1 ↓

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