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    • Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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    ZINC Item Suppliers, Protomers, & Similar Substances

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: tert-Butyl (3,4-diaminophenyl)carbamate tert-Butyl (3,4-diaminophenyl)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) 1.72 0.74 -6.94 5 5 0 90 223.276 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: Methyl 2-amino-4-((tert-butoxycarbonyl)amino)benzoate Methyl 2-amino-4-((tert-butoxyca…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.59 3.47 -7.31 3 6 0 91 266.297 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: tert-Butyl (3-amino-2,6-difluorophenyl)carbamate tert-Butyl (3-amino-2,6-difluoro…

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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 3.03 -9.25 3 4 0 64 244.241 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-Boc-M-Phenylenediamine N-Boc-M-Phenylenediamine

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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) 1.88 2.53 -8.22 3 4 0 64 208.261 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-FLUORODIPHENYLMETHANE 2-FLUORODIPHENYLMETHANE

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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) 4.01 8.93 -4.37 0 0 0 0 186.229 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-Bromobenzene-1,2-diamine 4-Bromobenzene-1,2-diamine

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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) 1.64 1.14 -3.54 4 2 0 52 187.04 0 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-Bromo-5-chloro-2-hydroxybenzaldehyde 3-Bromo-5-chloro-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) 2.85 -1.1 -5.79 1 2 0 37 235.464 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-Cyano-2-fluorobenzaldehyde 5-Cyano-2-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) 1.57 4.69 -10.8 0 2 0 41 149.124 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: Benzaldehyde, 3-bromo-5-chloro-2-hydroxy-, oxime Benzaldehyde, 3-bromo-5-chloro-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) 3.48 1.01 -5.13 2 3 0 53 250.479 1 ↓
    Hi High (pH 8-9.5) 2.06 3.72 -34.92 1 3 -1 52 249.471 1 ↓
    Hi High (pH 8-9.5) 3.48 1.44 -31.84 1 3 -1 56 249.471 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2'-HYDROXY-4',5'-DIMETHYLACETOPHENONE 2'-HYDROXY-4',5'-DIMETHYLACETOPH…

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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 1.08 -8.58 1 2 0 37 164.204 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4,5-Dichloro-2-methylaniline 4,5-Dichloro-2-methylaniline

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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) 3.08 -0.63 -3.57 2 1 0 26 176.046 0 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2,4-Dichloro-6-fluorobenzaldehyde 2,4-Dichloro-6-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) 3.10 5.24 -4.83 0 1 0 17 193.004 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-bromo-6-fluoro-3-methylbenzaldehyde 2-bromo-6-fluoro-3-methylbenzald…

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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) 3.00 5.39 -7.04 0 1 0 17 217.037 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2,3-Dichloro-6-fluorobenzaldehyde 2,3-Dichloro-6-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) 3.10 1.98 -5.81 0 1 0 17 193.004 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-Bromo-3-fluoroanisole 2-Bromo-3-fluoroanisole

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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) 2.87 1.27 -5.84 0 1 0 9 205.026 1 ↓

    Analogs

    44813521
    44813521
    44813524
    44813524
    29784
    29784

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2,3-Dichlorophenyl)-2,2-dimethylpropionamide N-(2,3-Dichlorophenyl)-2,2-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) 4.08 0.89 -5.2 1 2 0 29 246.137 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-ethoxy-6-formylphenyl benzenesulfonate 2-ethoxy-6-formylphenyl benzenes…

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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) 2.83 -2.18 -13.51 0 5 0 69 306.339 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: Benzaldehyde, 3-methoxy-2-[(phenylsulfonyl)oxy]- Benzaldehyde, 3-methoxy-2-[(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) 2.46 5.38 -21.34 0 5 0 70 292.312 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: Benzoic acid, 4-[3-amino-1-oxo-3-[4-(pentyloxy)phenyl]-2-propen-1-yl]-, methyl ester Benzoic acid, 4-[3-amino-1-oxo-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) 4.88 10.69 -9.65 2 5 0 79 367.445 10 ↓
    Mid Mid (pH 6-8) 4.88 10.4 -11.26 2 5 0 79 367.445 10 ↓

    Analogs

    1965476
    1965476
    31893297
    31893297
    43465219
    43465219
    43465269
    43465269

    Draw Identity 99% 90% 80% 70%

    Popular Name: ethanone, 1-[4-(pentyloxy)phenyl]- ethanone, 1-[4-(pentyloxy)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) 3.84 2.05 -6.97 0 2 0 26 206.285 6 ↓

    Analogs

    34396627
    34396627
    38294688
    38294688

    Draw Identity 99% 90% 80% 70%

    Popular Name: Methyl 2-bromo-5-methoxybenzoate Methyl 2-bromo-5-methoxybenzoate

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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) 2.56 1.62 -6.7 0 3 0 36 245.072 3 ↓

    Analogs

    13130189
    13130189
    4948010
    4948010
    12359059
    12359059

    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) 3.17 1.16 -8 2 4 0 65 214.224 2 ↓
    Ref Reference (pH 7) 2.25 3.14 -12.33 2 4 0 62 214.224 2 ↓
    Hi High (pH 8-9.5) 3.17 1.49 -94.17 0 4 -2 71 212.208 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-Bromo-4-chloro-2-methylaniline 5-Bromo-4-chloro-2-methylaniline

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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) 3.21 4.21 -3.57 2 1 0 26 220.497 0 ↓

    Analogs

    36156240
    36156240

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2',5'-Difluoroacetophenone 2',5'-Difluoroacetophenone

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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) 2.09 3.05 -7.87 0 1 0 17 156.131 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-Fluoro-5-methylphenyl isocyanate 2-Fluoro-5-methylphenyl isocyanate

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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) 2.31 1.94 -3.95 0 2 0 29 151.14 1 ↓

    Analogs

    44198933
    44198933

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2',6'-Difluoroacetophenone 2',6'-Difluoroacetophenone

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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) 2.07 3.1 -8.05 0 1 0 17 156.131 1 ↓

    Analogs

    34028484
    34028484
    36463424
    36463424
    133041
    133041

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(2,4-bis(benzyloxy)phenyl)ethanone 1-(2,4-bis(benzyloxy)phenyl)etha…

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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) 5.07 2.75 -12.91 0 3 0 35 332.399 7 ↓

    Analogs

    157885
    157885

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-Isopropylbenzene-1,3-diol 4-Isopropylbenzene-1,3-diol

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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 -1.81 -4.84 2 2 0 40 152.193 1 ↓

    Analogs

    4293513
    4293513
    4293514
    4293514

    Draw Identity 99% 90% 80% 70%

    Popular Name: 7-Azabicyclo[4.1.0]heptane, 7-[(4-methylphenyl)sulfonyl]- 7-Azabicyclo[4.1.0]heptane, 7-[(…

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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 4.76 -12.11 0 3 0 37 251.351 2 ↓

    Analogs

    39333582
    39333582

    Draw Identity 99% 90% 80% 70%

    Popular Name: methyl 3-amino-4-chlorobenzoate methyl 3-amino-4-chlorobenzoate

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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) 2.20 0.27 -5.07 2 3 0 52 185.61 2 ↓

    Analogs

    6701336
    6701336
    37028233
    37028233
    37047810
    37047810
    37047811
    37047811
    37047812
    37047812

    Draw Identity 99% 90% 80% 70%

    Popular Name: Benzoic acid, 4-chloro-3-[(2-methyl-1-oxopropyl)amino]-, methyl ester Benzoic acid, 4-chloro-3-[(2-met…

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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) 3.02 1.69 -11.48 1 4 0 55 255.701 4 ↓

    Analogs

    34450456
    34450456

    Draw Identity 99% 90% 80% 70%

    Popular Name: Methyl 3-amino-4-hydroxybenzoate Methyl 3-amino-4-hydroxybenzoate

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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) 1.30 0.3 -7.15 3 4 0 73 167.164 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2H-1,4-Benzoxazine-6-carboxylic acid, 3,4-dihydro-3-methyl-, methyl ester 2H-1,4-Benzoxazine-6-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) 2.81 3.91 -6.94 1 4 0 48 207.229 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2H-1,4-Benzoxazine-6-carboxylic acid, 3,4-dihydro-3-methyl-, methyl ester 2H-1,4-Benzoxazine-6-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) 2.81 3.91 -7.29 1 4 0 48 207.229 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-Bromo-2-fluorobenzaldehyde 4-Bromo-2-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) 2.63 1.51 -9.36 0 1 0 17 203.01 1 ↓

    Analogs

    37013344
    37013344

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(3-bromo-2-methylphenyl)acetamide N-(3-bromo-2-methylphenyl)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) 2.32 -0.1 -7.48 1 2 0 29 228.089 1 ↓

    Analogs

    37013344
    37013344

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-Acetamido-4-bromotoluene 2-Acetamido-4-bromotoluene

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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 4.91 -9.77 1 2 0 29 228.089 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: Methyl 4-amino-3-bromobenzoate Methyl 4-amino-3-bromobenzoate

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.33 -0.28 -6.92 2 3 0 52 230.061 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: Methyl 4-bromobenzoate Methyl 4-bromobenzoate

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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) 2.92 1.57 -4.54 0 2 0 26 215.046 2 ↓

    Analogs

    37003241
    37003241
    37013944
    37013944
    37118428
    37118428
    39287949
    39287949
    39287950
    39287950

    Draw Identity 99% 90% 80% 70%

    Popular Name: Benzoic acid, 2-(acetylamino)-3-methyl-, methyl ester Benzoic acid, 2-(acetylamino)-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) 0.92 5.2 -8.74 1 4 0 55 207.229 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 6-Bromo-2-fluoro-3-methylbenzaldehyde 6-Bromo-2-fluoro-3-methylbenzald…

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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) 3.00 5.53 -5.5 0 1 0 17 217.037 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-Methoxyactechol 4-Methoxyactechol

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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) 1.03 -1.15 -7.17 2 3 0 50 140.138 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-Methoxybenzene-1,3-diol 4-Methoxybenzene-1,3-diol

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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) 0.80 -1.24 -6.99 2 3 0 50 140.138 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: Methyl 2-iodo-6-methylbenzoate Methyl 2-iodo-6-methylbenzoate

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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) 3.21 6.84 -6.97 0 2 0 26 276.073 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-Cyano-5-methoxybenzoic acid methyl ester 2-Cyano-5-methoxybenzoic acid me…

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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) 1.51 4.61 -11.49 0 4 0 59 191.186 3 ↓

    Analogs

    44135736
    44135736

    Draw Identity 99% 90% 80% 70%

    Popular Name: tert-Butyl 4-(4-aminobenzyl)piperidine-1-carboxylate tert-Butyl 4-(4-aminobenzyl)pipe…

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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 7.58 -7.56 2 4 0 56 290.407 4 ↓

    Analogs

    34675000
    34675000

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-Benzyloxy-6-fluorobenzonitrile 2-Benzyloxy-6-fluorobenzonitrile

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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) 3.41 8.23 -11.47 0 2 0 33 227.238 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-Fluoro-6-hydroxybenzonitrile 2-Fluoro-6-hydroxybenzonitrile

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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) 1.75 2.1 -9.22 1 2 0 44 137.113 0 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-Fluoro-6-methoxybenzonitrile 2-Fluoro-6-methoxybenzonitrile

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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) 1.82 4.24 -9.98 0 2 0 33 151.14 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1,4-Benzenedicarboxylic acid, 2-(bromomethyl)-, 1,4-dimethyl ester 1,4-Benzenedicarboxylic acid, 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) 2.58 7.01 -7.43 0 4 0 53 287.109 5 ↓

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