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

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-[[2-[2-[(E)-[2-[2-[[(1S)-1-carboxy-2-methyl-propyl]amino]-2-oxo-ethoxy]phenyl]azo]phenoxy]ace (2S)-2-[[2-[2-[(E)-[2-[2-[[(1S)-…

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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) 0.16 11.16 -131.83 2 12 -2 182 526.546 14 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-fluoro-N-[(1R)-2,2,2-trichloro-1-[(4-phenylazophenyl)carbamothioylamino]ethyl]acetamide 2-fluoro-N-[(1R)-2,2,2-trichloro…

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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) 4.77 8.21 -22.68 3 6 0 78 462.765 9 ↓

    Analogs

    32224458
    32224458
    33753562
    33753562
    5733082
    5733082

    Draw Identity 99% 90% 80% 70%

    Popular Name: (E)-(2-methoxyphenyl)-phenyl-diazene (E)-(2-methoxyphenyl)-phenyl-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) 4.14 6.19 -9.73 0 3 0 34 212.252 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-hydroxy-phenyl)azo-phenol 2,3,5,6-tetrafluoro-4-(2,3,5,6-t…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    S5A1-2-E Steroid 5-alpha-reductase 1 (cluster #2 Of 2), Eukaryotic Eukaryotes 790 0.36 Binding ≤ 10μM
    S5A2-2-E Steroid 5-alpha-reductase 2 (cluster #2 Of 2), Eukaryotic Eukaryotes 790 0.36 Binding ≤ 10μM
    ChEMBL Target Annotations
    Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
    S5A1_RAT P24008 Steroid 5-alpha-reductase 1, Rat 790 0.36 Binding ≤ 1μM
    S5A2_RAT P31214 Steroid 5-alpha-reductase 2, Rat 790 0.36 Binding ≤ 1μM
    S5A1_RAT P24008 Steroid 5-alpha-reductase 1, Rat 4000 0.31 Binding ≤ 10μM
    S5A2_RAT P31214 Steroid 5-alpha-reductase 2, Rat 4000 0.31 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 4.42 1.91 -7.79 2 4 0 65 358.144 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)azo-phenol 2,3,5,6-tetrafluoro-4-(2,3,4,5,6…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    S5A1-2-E Steroid 5-alpha-reductase 1 (cluster #2 Of 2), Eukaryotic Eukaryotes 2000 0.33 Binding ≤ 10μM
    S5A2-2-E Steroid 5-alpha-reductase 2 (cluster #2 Of 2), Eukaryotic Eukaryotes 2000 0.33 Binding ≤ 10μM
    ChEMBL Target Annotations
    Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
    S5A1_RAT P24008 Steroid 5-alpha-reductase 1, Rat 10000 0.29 Binding ≤ 10μM
    S5A2_RAT P31214 Steroid 5-alpha-reductase 2, Rat 10000 0.29 Binding ≤ 10μM

    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) 4.81 4.8 -4.88 1 3 0 45 360.135 2 ↓

    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) 7.37 8.13 -4.67 1 3 0 45 459.125 3 ↓

    Analogs

    13982338
    13982338

    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) 6.35 6.75 -10.27 1 6 0 82 468.417 7 ↓

    Analogs

    36215907
    36215907

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-(dimethylamino)-4-oxo-4-(4-phenylazoanilino)butanoic (2S)-2-(dimethylamino)-4-oxo-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) 2.61 8.22 -30.76 2 7 0 98 340.383 7 ↓

    Analogs

    36215904
    36215904

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-(dimethylamino)-4-oxo-4-(4-phenylazoanilino)butanoic (2R)-2-(dimethylamino)-4-oxo-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) 2.61 9.09 -50.49 2 7 0 98 340.383 7 ↓

    Analogs

    36215912
    36215912

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-(3-methoxypropylamino)-4-oxo-4-(4-phenylazoanilino)butanoic (2S)-2-(3-methoxypropylamino)-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) 2.62 7.14 -32.84 3 8 0 120 384.436 11 ↓
    Hi High (pH 8-9.5) 2.62 6.06 -51.62 2 8 -1 115 383.428 11 ↓

    Analogs

    36215910
    36215910

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-(3-methoxypropylamino)-4-oxo-4-(4-phenylazoanilino)butanoic (2R)-2-(3-methoxypropylamino)-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) 2.62 7.22 -33.05 3 8 0 120 384.436 11 ↓
    Hi High (pH 8-9.5) 2.62 6.22 -48.35 2 8 -1 115 383.428 11 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-amino-3-phenylazo-benzenesulfonic 4-amino-3-phenylazo-benzenesulfonic

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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) 0.53 -7.22 -53.27 2 6 -1 108 276.297 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-amino-3-phenylazo-benzoic 4-amino-3-phenylazo-benzoic

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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) 3.45 -0.89 -58.48 2 5 -1 91 240.242 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2,4-di-tert-butyl-6-[(3,4-dimethylphenyl)diazenyl]phenol 2,4-di-tert-butyl-6-[(3,4-dimeth…

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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) 8.00 10.37 -7.21 1 3 0 45 338.495 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2,4-di-tert-butyl-6-[(4-ethoxyphenyl)diazenyl]phenol 2,4-di-tert-butyl-6-[(4-ethoxyph…

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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) 7.61 9.39 -7.28 1 4 0 54 354.494 6 ↓

    Analogs

    5818931
    5818931

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2,4-di-tert-butyl-6-(mesityldiazenyl)phenol 2,4-di-tert-butyl-6-(mesityldiaz…

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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) 8.32 11.35 -6.55 1 3 0 45 352.522 4 ↓

    Analogs

    34589003
    34589003
    5818931
    5818931

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2,4-di-tert-butyl-6-[(4-methylphenyl)diazenyl]phenol 2,4-di-tert-butyl-6-[(4-methylph…

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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) 7.63 9.83 -7.07 1 3 0 45 324.468 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[(3,5-di-tert-butyl-2-hydroxyphenyl)diazenyl]-N,N-diethylbenzenesulfonamide 4-[(3,5-di-tert-butyl-2-hydroxyp…

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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) 7.24 8.87 -10.84 1 6 0 82 445.629 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2,4-di-tert-butyl-6-[(3-chloro-4-methylphenyl)diazenyl]phenol 2,4-di-tert-butyl-6-[(3-chloro-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) 8.21 10.26 -6.98 1 3 0 45 358.913 4 ↓

    Analogs

    3894737
    3894737

    Draw Identity 99% 90% 80% 70%

    Popular Name: C.I. 13025 C.I. 13025

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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) 1.22 -5.78 -46.33 0 6 -1 85 304.351 4 ↓

    Analogs

    38611052
    38611052
    38611053
    38611053
    5765153
    5765153

    Draw Identity 99% 90% 80% 70%

    Popular Name: Mordant Yellow 10, pure Mordant Yellow 10, pure

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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 -7.59 -94.51 1 8 -2 142 320.282 4 ↓

    Analogs

    38605070
    38605070
    5785507
    5785507
    6661353
    6661353

    Draw Identity 99% 90% 80% 70%

    Popular Name: Mordant yellow 12 Mordant yellow 12

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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) 3.11 -2.42 -57.32 3 6 -1 111 256.241 3 ↓

    Analogs

    6507098
    6507098

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-nitro-4-(2-nitro-4-sulfo-phenyl)azo-benzenesulfonic 3-nitro-4-(2-nitro-4-sulfo-pheny…

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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) -2.11 -0.44 -79.92 0 14 -2 231 430.332 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(3-hydroxyphenyl)azophenol 3-(3-hydroxyphenyl)azophenol

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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 1.13 -8.36 2 4 0 65 214.224 2 ↓
    Hi High (pH 8-9.5) 3.12 0.62 -44.61 1 4 -1 68 213.216 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(3-aminophenyl)azoaniline 3-(3-aminophenyl)azoaniline

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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) 2.23 2.57 -7.9 4 4 0 77 212.256 2 ↓

    Analogs

    4571286
    4571286

    Draw Identity 99% 90% 80% 70%

    Popular Name: [3-(3-acetoxyphenyl)azophenyl] [3-(3-acetoxyphenyl)azophenyl]

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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) 3.19 9.34 -14.29 0 6 0 77 298.298 6 ↓

    Analogs

    6137677
    6137677

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-amino-4-(2-amino-4-sulfo-phenyl)azo-benzenesulfonic 3-amino-4-(2-amino-4-sulfo-pheny…

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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 -6.2 -100.55 4 10 -2 191 370.368 4 ↓

    Analogs

    4266103
    4266103

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-acetamido-4-(2-acetamido-4-sulfo-phenyl)azo-benzenesulfonic 3-acetamido-4-(2-acetamido-4-sul…

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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) -3.59 -4.08 -118.58 2 12 -2 197 454.442 6 ↓

    Analogs

    6095697
    6095697
    5761583
    5761583

    Draw Identity 99% 90% 80% 70%

    Popular Name: (E)-bis-p-tolyldiazene (E)-bis-p-tolyldiazene

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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) 5.03 8.19 -6.57 0 2 0 25 210.28 2 ↓

    Analogs

    5784545
    5784545

    Draw Identity 99% 90% 80% 70%

    Popular Name: (E)-bis(3-chlorophenyl)diazene (E)-bis(3-chlorophenyl)diazene

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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) 5.44 7.87 -5.69 0 2 0 25 251.116 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(5-methoxypentyl)-N'-[4-[(E)-phenylazo]phenyl]oxamide N-(5-methoxypentyl)-N'-[4-[(E)-p…

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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) 3.44 5.61 -10.25 2 7 0 92 368.437 10 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[(Z)-(2,4-dichlorophenyl)diazenyl]-2-hydroxybenzaldehyde 5-[(Z)-(2,4-dichlorophenyl)diaze…

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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) 5.12 3.65 -9.36 1 4 0 62 295.125 3 ↓
    Hi High (pH 8-9.5) 5.12 7.24 -44.41 0 4 -1 65 294.117 3 ↓
    Hi High (pH 8-9.5) 5.12 6.01 -40.05 0 4 -1 65 294.117 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[(E)-(3,4-diformylphenyl)azo]phthalaldehyde 4-[(E)-(3,4-diformylphenyl)azo]p…

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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 5.46 -18.56 0 6 0 93 294.266 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[(E)-[5-(dimethylaminomethyl)-2-methoxy-phenyl]azo]-3-methyl-aniline 4-[(E)-[5-(dimethylaminomethyl)-…

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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) 3.37 6.73 -43.18 3 5 1 64 299.398 5 ↓
    Hi High (pH 8-9.5) 3.37 4.27 -10.69 2 5 0 63 298.39 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[(E)-[5-(dimethylaminomethyl)-2-methoxy-phenyl]azo]-2-methoxy-5-methyl-aniline 4-[(E)-[5-(dimethylaminomethyl)-…

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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) 3.76 6.14 -44.39 3 6 1 74 329.424 6 ↓
    Hi High (pH 8-9.5) 3.76 3.68 -10.95 2 6 0 72 328.416 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-isobutyl-3-(4-phenylazophenyl)thiourea 1-isobutyl-3-(4-phenylazophenyl)…

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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) 4.66 8.97 -13.57 2 4 0 49 312.442 7 ↓

    Analogs

    5754544
    5754544

    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) 6.32 5.66 -10.43 1 5 0 63 393.281 5 ↓

    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) 5.20 6.16 -8.28 1 3 0 45 240.306 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(4-butoxyphenyl)azoaniline 3-(4-butoxyphenyl)azoaniline

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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 -0.34 -6.76 2 4 0 59 269.348 6 ↓

    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) 5.96 7.7 -7.8 1 3 0 45 268.36 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[methyl-[(1S)-1-methyl-2-methylsulfonyl-ethyl]amino]-N-[4-[(E)-phenylazo]phenyl]acetamide 2-[methyl-[(1S)-1-methyl-2-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) 3.44 6.61 -57.59 2 7 1 92 389.501 8 ↓
    Hi High (pH 8-9.5) 3.44 4.41 -23.3 1 7 0 91 388.493 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[methyl-[(1R)-1-methyl-2-methylsulfonyl-ethyl]amino]-N-[4-[(E)-phenylazo]phenyl]acetamide 2-[methyl-[(1R)-1-methyl-2-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) 3.44 6.58 -57.16 2 7 1 92 389.501 8 ↓
    Hi High (pH 8-9.5) 3.44 5.03 -22.87 1 7 0 91 388.493 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: Dabsyl-l-alanine Dabsyl-l-alanine

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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 4.92 -49.42 1 8 -1 114 375.43 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-methoxy-2-[(E)-phenylazo]phenol 4-methoxy-2-[(E)-phenylazo]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) 3.90 3.33 -10.05 1 4 0 54 228.251 3 ↓
    Ref Reference (pH 7) 3.90 2.08 -9.76 1 4 0 54 228.251 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[2-[4-[(E)-phenylazo]phenoxy]ethyl]acetamide N-[2-[4-[(E)-phenylazo]phenoxy]e…

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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) 3.33 5.48 -13.06 1 5 0 63 283.331 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[(E)-(2-fluoro-4-methoxy-phenyl)azo]benzenesulfonic 4-[(E)-(2-fluoro-4-methoxy-pheny…

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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) 1.27 1.04 -40.42 0 6 -1 91 309.298 4 ↓
    Ref Reference (pH 7) 1.27 2.3 -46.46 0 6 -1 91 309.298 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-Bromo-4-isopropyl-6-phenylazo-phenol 2-Bromo-4-isopropyl-6-phenylazo-…

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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) 6.09 6.62 -6.63 1 3 0 45 319.202 3 ↓
    Ref Reference (pH 7) 6.09 5.38 -6.81 1 3 0 45 319.202 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[(E)-(4-ethoxy-2-fluoro-phenyl)azo]benzenesulfonic 4-[(E)-(4-ethoxy-2-fluoro-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) 1.65 1.96 -40.11 0 6 -1 91 323.325 5 ↓
    Ref Reference (pH 7) 1.65 3.24 -46.02 0 6 -1 91 323.325 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [3-chloro-4-[(Z)-[4-[2-dimethylaminoethyl(ethyl)amino]phenyl]azo]phenyl]-trimethyl-ammonium [3-chloro-4-[(Z)-[4-[2-dimethyla…

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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 13.96 -83.83 1 5 2 32 389.975 8 ↓
    Hi High (pH 8-9.5) 1.37 11.48 -36.29 0 5 1 31 388.967 8 ↓

    Parameters Provided:

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    Structural Results Found: (before additional filtering)

    SQL Query Was

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    Permalink

    //zinc12.docking.org/results/combination?ring.id=38949&filter.purchasability=annotated

    Embed Link to Results

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