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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%


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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) 3.43 6.53 -18.26 2 8 0 120 403.192 3 ↓
    Hi High (pH 8-9.5) 3.89 4.61 -56.49 1 8 -1 123 402.184 3 ↓
    Hi High (pH 8-9.5) 3.89 4.78 -44.08 1 8 -1 123 402.184 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(5-bromo-2-oxo-indolin-3-ylidene)amino]-2,5-dinitro-benzamide N-[(5-bromo-2-oxo-indolin-3-ylid…

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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) 2.96 7.27 -21 2 11 0 166 434.162 4 ↓
    Hi High (pH 8-9.5) 3.42 5.36 -57.23 1 11 -1 169 433.154 4 ↓

    Analogs

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    Popular Name: N-[(5-fluoro-2-oxo-indolin-3-ylidene)amino]-2,5-dinitro-benzamide N-[(5-fluoro-2-oxo-indolin-3-yli…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.35 6.71 -21.63 2 11 0 166 373.256 4 ↓
    Hi High (pH 8-9.5) 1.80 4.81 -57.46 1 11 -1 169 372.248 4 ↓

    Analogs

    12446979
    12446979
    12571673
    12571673
    12572080
    12572080
    5442603
    5442603

    Draw Identity 99% 90% 80% 70%


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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) 2.71 4.52 -18.79 3 7 0 103 415.247 3 ↓
    Ref Reference (pH 7) 2.71 4.69 -15.41 3 7 0 103 415.247 3 ↓
    Hi High (pH 8-9.5) 3.17 2.64 -57.8 2 7 -1 107 414.239 3 ↓

    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) 3.43 6.49 -13.93 2 8 0 120 403.192 3 ↓
    Ref Reference (pH 7) 3.43 6.33 -23.39 2 8 0 120 403.192 3 ↓
    Hi High (pH 8-9.5) 3.89 4.75 -40.44 1 8 -1 123 402.184 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%


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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 6.34 -17.06 2 8 0 120 403.192 3 ↓
    Ref Reference (pH 7) 3.45 6.5 -10.16 2 8 0 120 403.192 3 ↓
    Hi High (pH 8-9.5) 3.91 4.76 -38.31 1 8 -1 123 402.184 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N'-(6-bromo-5-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-3-chlorobenzohydrazide N'-(6-bromo-5-methyl-2-oxo-1,2-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) 4.15 6.29 -9.97 2 5 0 74 392.64 2 ↓
    Hi High (pH 8-9.5) 4.61 4.55 -40.41 1 5 -1 77 391.632 2 ↓
    Hi High (pH 8-9.5) 4.61 4.24 -54.15 1 5 -1 77 391.632 2 ↓

    Analogs

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    Popular Name: N'-(6-bromo-5-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-4-methoxybenzohydrazide N'-(6-bromo-5-methyl-2-oxo-1,2-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) 3.55 5.08 -10.22 2 6 0 84 388.221 3 ↓
    Hi High (pH 8-9.5) 4.01 3.34 -43.19 1 6 -1 87 387.213 3 ↓
    Hi High (pH 8-9.5) 4.01 3.03 -53.7 1 6 -1 87 387.213 3 ↓

    Analogs

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    Popular Name: N'-(4-bromo-5-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-2,4-dichlorobenzohydrazide N'-(4-bromo-5-methyl-2-oxo-1,2-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) 4.78 6.83 -13.13 2 5 0 74 427.085 2 ↓
    Hi High (pH 8-9.5) 5.24 4.92 -52.49 1 5 -1 77 426.077 2 ↓
    Hi High (pH 8-9.5) 5.24 5.1 -42.29 1 5 -1 77 426.077 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N'-(6-bromo-5-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-2,4-dichlorobenzohydrazide N'-(6-bromo-5-methyl-2-oxo-1,2-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) 4.78 6.79 -8.91 2 5 0 74 427.085 2 ↓
    Hi High (pH 8-9.5) 5.24 5.06 -38.77 1 5 -1 77 426.077 2 ↓
    Hi High (pH 8-9.5) 5.24 4.74 -52.65 1 5 -1 77 426.077 2 ↓

    Analogs

    33957227
    33957227
    6636559
    6636559

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-nitro-N'-(1-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)benzohydrazide 4-nitro-N'-(1-methyl-2-oxo-1,2-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) 2.36 7.35 -12.69 1 8 0 109 324.296 3 ↓
    Ref Reference (pH 7) 2.36 7.19 -19.95 1 8 0 109 324.296 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-iodo-N-[(1-methyl-2-oxo-indolin-3-ylidene)amino]benzamide 4-iodo-N-[(1-methyl-2-oxo-indoli…

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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 7.57 -17.76 1 5 0 63 405.195 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%


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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 6.98 -18.17 1 5 0 63 313.744 2 ↓

    Analogs

    5928481
    5928481
    6376270
    6376270
    6960109
    6960109

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(1-ethyl-2-oxo-indolin-3-ylidene)amino]benzamide N-[(1-ethyl-2-oxo-indolin-3-ylid…

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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) 2.78 7.55 -13.9 1 5 0 63 293.326 3 ↓

    Parameters Provided:

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    Structural Results Found: (before additional filtering)

    SQL Query Was

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    Embed Link to Results

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