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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

    34478298
    34478298
    34961746
    34961746

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(Bromomethyl)-2-methoxybenzene 1-(Bromomethyl)-2-methoxybenzene

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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) 2.65 0.73 -3.7 0 1 0 9 201.063 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2,6-Dichloro-3-fluorobenzaldehyde 2,6-Dichloro-3-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 5.23 -4.77 0 1 0 17 193.004 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-Fluoro-1-phenylethanone 2-Fluoro-1-phenylethanone

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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 5.1 -9.26 0 1 0 17 138.141 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(4-Bromo-2,6-difluoro-phenyl)-ethanol 1-(4-Bromo-2,6-difluoro-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) 2.49 3.39 -3.41 1 1 0 20 237.043 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(4-Bromo-2,6-difluoro-phenyl)-ethanol 1-(4-Bromo-2,6-difluoro-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) 2.49 3.38 -3.4 1 1 0 20 237.043 1 ↓

    Analogs

    34976508
    34976508
    34976805
    34976805
    36180160
    36180160
    36180163
    36180163
    36180166
    36180166

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(5-Bromo-2-fluorophenyl)ethanone 1-(5-Bromo-2-fluorophenyl)ethanone

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.74 5.57 -7.48 0 1 0 17 217.037 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-bromobicyclo[4.2.0]octa-1,3,5-triene 3-bromobicyclo[4.2.0]octa-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) 2.89 6.49 -2.81 0 0 0 0 183.048 0 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-Bromo-2,6-difluorobenzonitrile 4-Bromo-2,6-difluorobenzonitrile

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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) 2.69 3.2 -4.66 0 1 0 24 218 0 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-Chloro-2-fluoroanisole 3-Chloro-2-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) 2.74 1.8 -6.47 0 1 0 9 160.575 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4-Cyclopropylphenyl)methanol (4-Cyclopropylphenyl)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) 1.62 3.92 -4.35 1 1 0 20 148.205 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3-cyclopropylphenyl)methanol (3-cyclopropylphenyl)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) 1.60 3.91 -4.37 1 1 0 20 148.205 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-Bromo-2,6-dimethylbenzonitrile 4-Bromo-2,6-dimethylbenzonitrile

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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 2.17 -3.72 0 1 0 23 210.074 0 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2,6-Dichloro-4-methoxyaniline 2,6-Dichloro-4-methoxyaniline

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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) 2.69 2.82 -3.21 2 2 0 35 192.045 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-Chloro-6-methylaniline 2-Chloro-6-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) 2.45 3.72 -2.68 2 1 0 26 141.601 0 ↓

    Analogs

    2172394
    2172394

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-chloro-1-(4-chlorophenyl)ethanone 2-chloro-1-(4-chlorophenyl)ethanone

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.74 1.15 -7.3 0 1 0 17 189.041 2 ↓

    Analogs

    2474395
    2474395
    2583701
    2583701
    22216178
    22216178
    32152123
    32152123
    36995334
    36995334

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2,4,6-Tri-tert-butylaniline 2,4,6-Tri-tert-butylaniline

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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) 6.39 3.71 -1.84 2 1 0 26 261.453 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-bromomethylbenzenamine 2-bromomethylbenzenamine

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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) 2.08 3.87 -2.92 2 1 0 26 186.052 1 ↓

    Analogs

    36737464
    36737464
    44238755
    44238755

    Draw Identity 99% 90% 80% 70%

    Popular Name: Tert-butyl 3-aminobenzylcarbamate Tert-butyl 3-aminobenzylcarbamate

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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 2.8 -5.55 3 4 0 64 222.288 4 ↓

    Analogs

    34347151
    34347151

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-Hydroxy-2,5-dimethylbenzaldehyde 4-Hydroxy-2,5-dimethylbenzaldehyde

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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) 2.47 2.72 -10.65 1 2 0 37 150.177 1 ↓
    Hi High (pH 8-9.5) 2.47 3.51 -42.84 0 2 -1 40 149.169 1 ↓

    Analogs

    34328825
    34328825
    39125664
    39125664

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-Amino-2,6-difluorophenol 4-Amino-2,6-difluorophenol

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 0.98 -0.35 -5.95 3 2 0 46 145.108 0 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: METHYL 4-BROMO-3-CYANOBENZOATE METHYL 4-BROMO-3-CYANOBENZOATE

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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 6.02 -7.78 0 3 0 50 240.056 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: METHYL 4-BROMO-2-CYANOBENZOATE METHYL 4-BROMO-2-CYANOBENZOATE

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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 5.91 -9.8 0 3 0 50 240.056 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(bromomethyl)-4-(difluoromethyl)benzene 1-(bromomethyl)-4-(difluoromethy…

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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) 3.18 6.76 -4.06 0 0 0 0 221.044 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3-Bromo-5-(trifluoromethyl)phenyl)methanol (3-Bromo-5-(trifluoromethyl)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) 2.91 3.41 -5.26 1 1 0 20 255.033 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: Acetamide, N-[2-(bromomethyl)phenyl]- Acetamide, N-[2-(bromomethyl)phe…

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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 4.96 -7.78 1 2 0 29 228.089 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: ([1-PHENYL-METH-(E)-YLIDENE]-AMINO)-ACETIC ACID ETHYL ESTER ([1-PHENYL-METH-(E)-YLIDENE]-AMI…

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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) 2.01 5.64 -8.96 0 3 0 39 191.23 5 ↓
    Ref Reference (pH 7) 2.01 4.95 -8.13 0 3 0 39 191.23 5 ↓
    Mid Mid (pH 6-8) 2.01 6.49 -39.12 1 3 1 40 192.238 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(2-Amino-4-methoxyphenyl)ethanone 1-(2-Amino-4-methoxyphenyl)ethanone

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.30 2.42 -6.77 2 3 0 52 165.192 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2,5-DICHLORO-4-AMINOPHENOL 2,5-DICHLORO-4-AMINOPHENOL

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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 0.63 -3.61 3 2 0 46 178.018 0 ↓
    Hi High (pH 8-9.5) 2.41 1.39 -38.54 2 2 -1 49 177.01 0 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-bromo-4-(bromomethyl)-1-methylbenzene 2-bromo-4-(bromomethyl)-1-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) 3.83 7.07 -2.82 0 0 0 0 263.96 1 ↓

    Analogs

    4290753
    4290753
    39250079
    39250079
    154985
    154985

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2,5-dimethoxy-4-methylbenzaldehyde 2,5-dimethoxy-4-methylbenzaldehyde

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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) 2.15 2.76 -9.32 0 3 0 36 180.203 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 7-Bromo-4H-chromen-4-one 7-Bromo-4H-chromen-4-one

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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 5.24 -8.41 0 2 0 30 225.041 0 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: Ethyl 3-oxo-2,3-dihydrobenzofuran-2-carboxylate Ethyl 3-oxo-2,3-dihydrobenzofura…

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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) 1.56 5.88 -8.85 0 4 0 53 206.197 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 7-methoxy-4H-chromen-4-one 7-methoxy-4H-chromen-4-one

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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) 1.85 3.92 -10.29 0 3 0 39 176.171 1 ↓

    Analogs

    6605178
    6605178
    6605738
    6605738
    6605743
    6605743

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(4-formyl-2-methoxyphenoxy)acetamide 2-(4-formyl-2-methoxyphenoxy)ace…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 0.11 1.4 -17.75 2 5 0 79 209.201 5 ↓

    Analogs

    34574252
    34574252
    36221924
    36221924
    36221926
    36221926
    36221928
    36221928

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-Methyl-3,4-dihydroisoquinolin-1(2H)-one 5-Methyl-3,4-dihydroisoquinolin-…

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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 -1.29 -9.52 1 2 0 29 161.204 0 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

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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) 1.97 1.91 -9.93 4 4 0 78 222.298 0 ↓
    Lo Low (pH 4.5-6) 1.97 2.13 -32.27 5 4 1 79 223.306 0 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: Ethyl 1H-benzo[d]imidazole-7-carboxylate Ethyl 1H-benzo[d]imidazole-7-car…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.59 5.85 -15.52 1 4 0 55 190.202 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)ethanone 1-(2,4-dihydroxyphenyl)-2-(4-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) 2.22 -3.12 -13.3 3 4 0 77 244.246 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 7-Methoxy-2,2,4-trimethyl-1,2-dihydroquinoline 7-Methoxy-2,2,4-trimethyl-1,2-di…

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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 5.46 -4.73 1 2 0 21 203.285 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-Bromo-1,2,3-trichlorobenzene 5-Bromo-1,2,3-trichlorobenzene

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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) 4.64 6.54 -1.09 0 0 0 0 260.345 0 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-Bromo-5-(hydroxymethyl)phenol 2-Bromo-5-(hydroxymethyl)phenol

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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) 1.79 -0.36 -6.06 2 2 0 40 203.035 1 ↓
    Hi High (pH 8-9.5) 1.79 0.4 -42.91 1 2 -1 43 202.027 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-bromo-2,6-dichlorophenol 4-bromo-2,6-dichlorophenol

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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) 3.74 -1.72 -2.36 1 1 0 20 241.899 0 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(2-cyanophenoxy)acetamide 2-(2-cyanophenoxy)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) 0.43 2.3 -19.75 2 4 0 76 176.175 3 ↓

    Analogs

    5757129
    5757129

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3,3',5,5'-Tetramethylbenzidine 3,3',5,5'-Tetramethylbenzidine

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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) 4.21 6.71 -5.58 4 2 0 52 240.35 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: Benzoylacetonitrile Benzoylacetonitrile

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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 5.43 -14.38 0 2 0 41 145.161 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: Methyl 3,4-dihydroxy-2-methylbenzoate Methyl 3,4-dihydroxy-2-methylben…

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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 0.85 -7.29 2 4 0 67 182.175 2 ↓

    Analogs

    26478655
    26478655
    26478663
    26478663

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-Chromanone 4-Chromanone

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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) 1.60 4.24 -6.88 0 2 0 26 148.161 0 ↓

    Analogs

    2389221
    2389221
    2389222
    2389222
    2389224
    2389224
    2389225
    2389225
    2389232
    2389232

    Draw Identity 99% 90% 80% 70%

    Popular Name: Isochroman Isochroman

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    And 36 More

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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 4.58 -3.44 0 1 0 9 134.178 0 ↓

    Analogs

    34480190
    34480190

    Draw Identity 99% 90% 80% 70%

    Popular Name: 7-HYDROXY-4-METHYLCOUMARIN 7-HYDROXY-4-METHYLCOUMARIN

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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) 1.89 3.72 -12.48 1 3 0 50 176.171 0 ↓

    Analogs

    31886546
    31886546
    32007922
    32007922
    32008204
    32008204
    39373515
    39373515

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3,5-Dimethyl-1-phenyl-1H-pyrazole 3,5-Dimethyl-1-phenyl-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) 2.10 2.02 -7.96 0 2 0 18 172.231 1 ↓

    Parameters Provided:

    page.format = basic
page.num = 1
catalog.name = acemolbb
filter.purchasability = purchasable

    Structural Results Found: (before additional filtering)

    SQL Query Was

    SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id  WHERE c.free = 1 AND c.short_name LIKE 'acemolbb' AND ci.sub_id_fk IN (SELECT ci.sub_id_fk AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id  WHERE c.free = 1 AND c.purchasable IN (1,2,4,5)   )    LIMIT 50

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