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    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-cyano-3-(4-methoxyphenyl)acrylamide 2-cyano-3-(4-methoxyphenyl)acryl…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.18 1.88 -8.06 2 4 0 76 202.213 3 ↓

    Analogs

    32007089
    32007089
    32007090
    32007090
    32007098
    32007098
    32007099
    32007099
    36668965
    36668965

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(4-Fluoro-phenylamino)-propionitrile 3-(4-Fluoro-phenylamino)-propion…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.42 4.66 -9.83 1 2 0 36 164.183 3 ↓

    Analogs

    32009117
    32009117
    32009118
    32009118
    32009126
    32009126
    32009128
    32009128
    36679624
    36679624

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(3-Chloro-phenylamino)-propionitrile 3-(3-Chloro-phenylamino)-propion…

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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 5.11 -8.45 1 2 0 36 180.638 3 ↓

    Analogs

    32008254
    32008254
    32008255
    32008255
    32008264
    32008264
    32008265
    32008265
    34381987
    34381987

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(4-methoxyanilino)propanenitrile 3-(4-methoxyanilino)propanenitrile

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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) 1.31 3.89 -10.02 1 3 0 45 176.219 4 ↓

    Analogs

    32006790
    32006790
    32006801
    32006801
    32006803
    32006803
    32006810
    32006810
    32006812
    32006812

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-p-Tolylamino-propionitrile 3-p-Tolylamino-propionitrile

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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) 1.70 5.27 -8.21 1 2 0 36 160.22 3 ↓

    Analogs

    32005979
    32005979
    32005981
    32005981
    32005983
    32005983
    32005986
    32005986
    36678298
    36678298

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-Anilinopropionitrile 3-Anilinopropionitrile

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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 4.59 -8.17 1 2 0 36 146.193 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-AMINO-4-CHLOROBENZOTHIAZOLE 2-AMINO-4-CHLOROBENZOTHIAZOLE

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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) 2.61 3.74 -8.05 2 2 0 39 184.651 0 ↓

    Analogs

    34974622
    34974622
    36984538
    36984538

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-(4-chlorophenyl)-2-thiophenecarbaldehyde 5-(4-chlorophenyl)-2-thiopheneca…

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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) 4.22 0.87 -5.81 0 1 0 17 222.696 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1H-1,5-benzodiazepine-2,4(3H,5H)-dione 1H-1,5-benzodiazepine-2,4(3H,5H)…

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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 1.11 -10.71 2 4 0 58 176.175 0 ↓

    Analogs

    34480190
    34480190

    Draw Identity 99% 90% 80% 70%

    Popular Name: 6-ethyl-7-hydroxy-4-methyl-2H-chromen-2-one 6-ethyl-7-hydroxy-4-methyl-2H-ch…

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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) 3.20 1.21 -11.46 1 3 0 50 204.225 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl chloroacetate (4-oxo-1,2,3-benzotriazin-3(4H)-…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.37 0.75 -12.36 0 6 0 74 253.645 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4,6-dichloro-2-phenylpyrimidin-5-amine 4,6-dichloro-2-phenylpyrimidin-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) 3.36 4.64 -4.95 2 3 0 52 240.093 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-Bromo-4,6-dichloropyrimidine 5-Bromo-4,6-dichloropyrimidine

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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 -1.2 -2.64 0 2 0 25 227.876 0 ↓

    Analogs

    5771917
    5771917

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(2-Amino-1,3-thiazol-4-yl)benzene-1,3-diol 4-(2-Amino-1,3-thiazol-4-yl)benz…

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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 -0.7 -9.25 4 4 0 79 208.242 1 ↓
    Lo Low (pH 4.5-6) 1.38 -0.12 -31.27 5 4 1 81 209.25 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(2-ethoxyphenyl)-1,3-thiazol-2-amine 4-(2-ethoxyphenyl)-1,3-thiazol-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) 2.53 -1.14 -8.45 2 3 0 48 220.297 3 ↓
    Lo Low (pH 4.5-6) 2.53 -1.16 -25.34 3 3 1 49 221.305 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[4-(2-bromoacetyl)phenyl]acetamide N-[4-(2-bromoacetyl)phenyl]aceta…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.42 4.61 -11.39 1 3 0 46 256.099 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-bromo-3-ethoxy-2-hydroxybenzaldehyde 5-bromo-3-ethoxy-2-hydroxybenzal…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.41 -0.06 -8.34 1 3 0 47 245.072 3 ↓

    Analogs

    896404
    896404

    Draw Identity 99% 90% 80% 70%

    Popular Name: Terephthalaldehyde Terephthalaldehyde

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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) 1.52 3.96 -12.54 0 2 0 34 134.134 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-cyanoacetohydrazide 2-cyanoacetohydrazide

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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 -1.21 -17.93 3 4 0 79 99.093 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-bromo-4,5-dihydroxybenzaldehyde 3-bromo-4,5-dihydroxybenzaldehyde

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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 -0.02 -9.2 2 3 0 58 217.018 1 ↓

    Analogs

    34962606
    34962606

    Draw Identity 99% 90% 80% 70%

    Popular Name: 8-bromo-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde 8-bromo-2,3-dihydro-1,4-benzodio…

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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) 2.17 4.04 -8.77 0 3 0 36 243.056 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: Methyl 5-bromofuran-2-carboxylate Methyl 5-bromofuran-2-carboxylate

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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) 1.96 3.96 -4.63 0 3 0 39 205.007 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2,6-Dichlorobenzonitrile 2,6-Dichlorobenzonitrile

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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) 2.95 5.71 -7.13 0 1 0 24 172.014 0 ↓

    Analogs

    34622230
    34622230

    Draw Identity 99% 90% 80% 70%

    Popular Name: methyl 6-chloro-2-pyridinecarboxylate methyl 6-chloro-2-pyridinecarbox…

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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 3.77 -7.83 0 3 0 39 171.583 2 ↓

    Analogs

    37987025
    37987025
    37987026
    37987026
    37987027
    37987027
    37987028
    37987028
    37987029
    37987029

    Draw Identity 99% 90% 80% 70%

    Popular Name: 6-Amino-1-butyl-5-butylamino-1H-pyrimidine-2,4-dione 6-Amino-1-butyl-5-butylamino-1H-…

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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) 1.66 3.35 -11.36 4 6 0 93 254.334 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-Amino-4,5-di-p-tolyl-furan-3-carbonitrile 2-Amino-4,5-di-p-tolyl-furan-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) 4.79 1.61 -7.64 2 3 0 62 288.35 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-chloro-N-ethyl-N-phenylacetamide 2-chloro-N-ethyl-N-phenylacetamide

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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 6.64 -10.1 0 2 0 20 197.665 3 ↓

    Analogs

    39283779
    39283779

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-(trifluoromethyl)-4h-1,2,4-triazol-3-amine 5-(trifluoromethyl)-4h-1,2,4-tri…

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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 2.28 -11.31 3 4 0 68 152.079 1 ↓
    Hi High (pH 8-9.5) 0.20 2.12 -35.12 2 4 -1 66 151.071 1 ↓

    Analogs

    36978916
    36978916
    37078266
    37078266

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-Amino-N,N-dimethylbenzenesulfonamide 3-Amino-N,N-dimethylbenzenesulfo…

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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) 0.30 0.4 -9.21 2 4 0 63 200.263 2 ↓

    Analogs

    44810656
    44810656
    44810658
    44810658

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-cyano-N-(2-phenylethyl)acetamide 2-cyano-N-(2-phenylethyl)acetamide

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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) 0.68 4.76 -17.96 1 3 0 53 188.23 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-Methoxybenzyl alcohol 2-Methoxybenzyl alcohol

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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) 1.28 1.33 -5.04 1 2 0 29 138.166 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(4-bromophenyl)-2-thioxo-2,3-dihydro-4(1H)-quinazolinone 3-(4-bromophenyl)-2-thioxo-2,3-d…

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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) 3.12 9.24 -12.12 1 3 0 38 333.21 1 ↓
    Mid Mid (pH 6-8) 3.85 8.96 -40.78 0 3 -1 35 332.202 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[4-(propan-2-yl)phenyl]-1H-pyrazole-5-carbohydrazide 3-[4-(propan-2-yl)phenyl]-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) 2.13 -5.95 -10.71 4 5 0 83 244.298 3 ↓

    Analogs

    4517794
    4517794

    Draw Identity 99% 90% 80% 70%

    Popular Name: ethyl 3-(4-methoxyphenyl)-1H-pyrazole-5-carboxylate ethyl 3-(4-methoxyphenyl)-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) 2.50 5.41 -6.97 1 5 0 64 246.266 5 ↓
    Ref Reference (pH 7) 2.50 5.39 -8.8 1 5 0 64 246.266 5 ↓

    Analogs

    3882295
    3882295

    Draw Identity 99% 90% 80% 70%

    Popular Name: ethyl 5-(4-methylphenyl)-1H-pyrazole-3-carboxylate ethyl 5-(4-methylphenyl)-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) 2.89 6.79 -6.12 1 4 0 55 230.267 4 ↓
    Ref Reference (pH 7) 2.89 6.77 -7.52 1 4 0 55 230.267 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: ethyl 5-(3,4-dimethylphenyl)-1H-pyrazole-3-carboxylate ethyl 5-(3,4-dimethylphenyl)-1H-…

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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) 3.26 7.32 -6.36 1 4 0 55 244.294 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]piperazine 1-[(1,2-dimethyl-1H-imidazol-4-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) -1.02 -0.28 -12.82 1 6 0 67 244.32 2 ↓
    Mid Mid (pH 6-8) -1.02 0.97 -49.33 2 6 1 72 245.328 2 ↓

    Analogs

    39278957
    39278957

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetonitrile (1,3-dioxo-1,3-dihydro-2H-isoind…

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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) 1.31 4.53 -11.82 0 4 0 63 186.17 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-Benzylideneisobenzofuran-1(3H)-one 3-Benzylideneisobenzofuran-1(3H)…

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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 9.62 -11.67 0 2 0 30 222.243 1 ↓

    Analogs

    2597026
    2597026
    1680660
    1680660

    Draw Identity 99% 90% 80% 70%

    Popular Name: Dimethyl adipate Dimethyl adipate

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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 5.29 -8.12 0 4 0 53 174.196 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(chloromethyl)-2-methylnaphthalene 1-(chloromethyl)-2-methylnaphtha…

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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) 4.07 1.62 -4.08 0 0 0 0 190.673 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

    Find On: PubMed — Wikipedia — Google

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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 4.37 -8.6 1 3 0 41 188.23 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-chloro-3-(4-methylpiperidin-1-yl)quinoxaline 2-chloro-3-(4-methylpiperidin-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) 3.91 -2.28 -6.03 0 3 0 29 261.756 1 ↓

    Analogs

    39273597
    39273597

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-chloro-3-methylquinoxaline 2-chloro-3-methylquinoxaline

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    Activity (Go SEA)

    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) 2.76 -0.9 -6.67 0 2 0 26 178.622 0 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-bromo-6-methylpyridine-2,3-diamine 5-bromo-6-methylpyridine-2,3-dia…

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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) 1.13 0.72 -7.57 4 3 0 65 202.055 0 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2,3-Diamino-5-chloropyridine 2,3-Diamino-5-chloropyridine

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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) 0.78 0.13 -4.62 4 3 0 65 143.577 0 ↓

    Analogs

    33790336
    33790336
    1257001
    1257001

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-Ethoxybenzhydrazide 4-Ethoxybenzhydrazide

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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 1.59 -10.42 3 4 0 64 180.207 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(2,5-dimethylphenyl)-1H-pyrazole-5-carbohydrazide 3-(2,5-dimethylphenyl)-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) 1.44 2.96 -10.74 4 5 0 84 230.271 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(2-methoxyphenyl)-1H-pyrazole-5-carbohydrazide 3-(2-methoxyphenyl)-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) 0.62 1.02 -12.64 4 6 0 93 232.243 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(3,4-dimethylphenyl)-1H-pyrazole-5-carbohydrazide 3-(3,4-dimethylphenyl)-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) 1.44 2.65 -10.94 4 5 0 84 230.271 2 ↓
    Ref Reference (pH 7) 1.44 2.59 -9.62 4 5 0 84 230.271 2 ↓

    Parameters Provided:

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catalog.name = molportbb
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    Structural Results Found: (before additional filtering)

    SQL Query Was

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