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

    Analogs

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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) 4.13 -0.07 -8.29 1 3 0 32 298.43 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N~1~-benzyl-N~2~-(2,3-dichlorophenyl)ethanediamide N~1~-benzyl-N~2~-(2,3-dichloroph…

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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) 2.88 -2.02 -5.72 2 4 0 58 323.179 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N'-[(E)-(4-benzoxybenzylidene)amino]-N-(4-butylphenyl)oxamide N'-[(E)-(4-benzoxybenzylidene)am…

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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) 5.71 11.5 -11.21 2 6 0 80 429.52 10 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(2,5-dimethoxyanilino)-4-keto-butyric-acid-methyl-ester 4-(2,5-dimethoxyanilino)-4-keto-…

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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 1.28 -11.03 1 6 0 73 267.281 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-phenethyl-N'-[[(2R)-tetrahydrofuran-2-yl]methyl]oxamide N-phenethyl-N'-[[(2R)-tetrahydro…

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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) 0.70 3.09 -7.78 2 5 0 67 276.336 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-phenethyl-N'-[[(2S)-tetrahydrofuran-2-yl]methyl]oxamide N-phenethyl-N'-[[(2S)-tetrahydro…

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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) 0.70 3.06 -7.83 2 5 0 67 276.336 6 ↓

    Analogs

    26087868
    26087868
    33588041
    33588041

    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) 3.66 0.53 -16.22 1 4 0 51 290.75 5 ↓

    Analogs

    6645985
    6645985
    6645986
    6645986

    Draw Identity 99% 90% 80% 70%

    Popular Name: N'-[(E)-(2,3-dichlorobenzylidene)amino]-N-[(1R)-1-phenylethyl]oxamide N'-[(E)-(2,3-dichlorobenzylidene…

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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) 3.71 -1.65 -12.7 2 5 0 70 364.232 5 ↓

    Analogs

    6645985
    6645985
    6645986
    6645986

    Draw Identity 99% 90% 80% 70%

    Popular Name: N'-[(E)-(2,3-dichlorobenzylidene)amino]-N-[(1S)-1-phenylethyl]oxamide N'-[(E)-(2,3-dichlorobenzylidene…

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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) 3.71 -1.65 -12.72 2 5 0 70 364.232 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N'-(2-bromophenyl)-N-[(E)-(2-hydroxy-1-naphthyl)methyleneamino]glutaramide N'-(2-bromophenyl)-N-[(E)-(2-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) 5.10 7.91 -23.08 3 6 0 91 454.324 7 ↓
    Hi High (pH 8-9.5) 5.10 8.68 -70.48 2 6 -1 94 453.316 7 ↓
    Lo Low (pH 4.5-6) 5.10 8.21 -24.09 4 6 0 92 455.332 7 ↓

    Analogs

    9914009
    9914009

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2,6-diethylphenyl)-N'-isoamyl-oxamide N-(2,6-diethylphenyl)-N'-isoamyl…

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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) 2.67 -0.25 -5.62 2 4 0 58 290.407 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N'-[(E)-(2,3-dichlorobenzylidene)amino]-N-(2-fluorophenyl)oxamide N'-[(E)-(2,3-dichlorobenzylidene…

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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) 3.57 -0.82 -13.79 2 5 0 70 354.168 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-bromo-6-[(E)-(2-hydroxy-6-methyl-phenyl)iminomethyl]-4-methyl-phenol 2-bromo-6-[(E)-(2-hydroxy-6-meth…

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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) 4.50 -2 -7.29 2 3 0 52 320.186 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[2-[(N'E)-N'-(2,4-dimethoxybenzylidene)hydrazino]-2-keto-ethyl]-3-fluoro-benzamide N-[2-[(N'E)-N'-(2,4-dimethoxyben…

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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) 2.39 -1.07 -17.51 2 7 0 89 359.357 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2,4-dibromo-6-[(E)-(2-hydroxy-6-methyl-phenyl)iminomethyl]resorcinol 2,4-dibromo-6-[(E)-(2-hydroxy-6-…

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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) 4.57 2 -7.19 3 4 0 73 401.054 2 ↓
    Mid Mid (pH 6-8) 4.57 3.55 -109.69 1 4 -2 79 399.038 2 ↓
    Mid Mid (pH 6-8) 4.57 2.77 -40.3 2 4 -1 76 400.046 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-bromo-4-chloro-6-[(E)-(2-hydroxy-6-methyl-phenyl)iminomethyl]phenol 2-bromo-4-chloro-6-[(E)-(2-hydro…

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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) 4.73 4.62 -5.93 2 3 0 53 340.604 2 ↓
    Mid Mid (pH 6-8) 4.73 5.39 -39.3 1 3 -1 56 339.596 2 ↓
    Lo Low (pH 4.5-6) 4.73 5.12 -32.13 3 3 1 54 341.612 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-bromo-2-[(E)-(2-hydroxy-6-methyl-phenyl)iminomethyl]-6-methoxy-phenol 4-bromo-2-[(E)-(2-hydroxy-6-meth…

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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 -2.06 -7.53 2 4 0 62 336.185 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2,4-dichloro-6-[(E)-(2-hydroxy-6-methyl-phenyl)iminomethyl]phenol 2,4-dichloro-6-[(E)-(2-hydroxy-6…

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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) 4.60 4.5 -6.03 2 3 0 53 296.153 2 ↓
    Mid Mid (pH 6-8) 4.60 5.27 -40.14 1 3 -1 56 295.145 2 ↓
    Lo Low (pH 4.5-6) 4.60 5.01 -32.13 3 3 1 54 297.161 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[2-[(N'E)-N'-(3,5-dibromo-2-hydroxy-benzylidene)hydrazino]-2-keto-ethyl]-2-furamide N-[2-[(N'E)-N'-(3,5-dibromo-2-hy…

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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) 2.72 2.24 -14.79 3 7 0 104 445.067 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-chloro-N-[2-keto-2-[(N'E)-N'-salicylidenehydrazino]ethyl]benzamide 4-chloro-N-[2-keto-2-[(N'E)-N'-s…

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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) 2.82 -3.96 -13.78 3 6 0 90 331.759 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (E)-(4-chlorobenzylidene)-(3-chloro-4-methoxy-phenyl)amine (E)-(4-chlorobenzylidene)-(3-chl…

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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) 4.81 8.15 -5.96 0 2 0 22 280.154 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-chloro-2-{(E)-[(3-chloro-4-methoxyphenyl)imino]methyl}phenol 4-chloro-2-{(E)-[(3-chloro-4-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) 4.73 5.78 -6.93 1 3 0 42 296.153 3 ↓
    Hi High (pH 8-9.5) 4.73 6.55 -40.75 0 3 -1 45 295.145 3 ↓
    Lo Low (pH 4.5-6) 4.73 6.26 -35.93 2 3 1 43 297.161 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[2-[(N'E)-N'-benzalhydrazino]-2-keto-ethyl]-2-furamide N-[2-[(N'E)-N'-benzalhydrazino]-…

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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) 1.46 -1.86 -14.78 2 6 0 83 271.276 5 ↓

    Analogs

    3661664
    3661664
    4209954
    4209954
    4283172
    4283172
    4287573
    4287573
    4292922
    4292922

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[2-[(N'E)-N'-benzalhydrazino]-2-keto-ethyl]-3-fluoro-benzamide N-[2-[(N'E)-N'-benzalhydrazino]-…

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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 -1.39 -14.35 2 5 0 70 299.305 5 ↓

    Analogs

    13132536
    13132536
    4260881
    4260881
    4335814
    4335814

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3,4-dimethoxy-N-[(1-methyl-3-phenyl-prop-2-enylidene)aminocarbamoylmethyl]benzamide 3,4-dimethoxy-N-[(1-methyl-3-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) 2.52 -0.84 -16.45 2 7 0 89 381.432 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-bromo-2-[(E)-(3-chloro-4-methoxy-phenyl)iminomethyl]-6-methoxy-phenol 4-bromo-2-[(E)-(3-chloro-4-metho…

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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) 4.44 -0.8 -8.08 1 4 0 51 370.63 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-bromo-6-[(E)-(3-chloro-4-methoxy-phenyl)iminomethyl]-4-methyl-phenol 2-bromo-6-[(E)-(3-chloro-4-metho…

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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 -0.74 -8.95 1 3 0 41 354.631 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-bromo-4-chloro-6-[(E)-(3-chloro-4-methoxy-phenyl)iminomethyl]phenol 2-bromo-4-chloro-6-[(E)-(3-chlor…

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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) 5.26 6.43 -6.78 1 3 0 42 375.049 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[2-[(N'E)-N'-[1-(4-aminophenyl)ethylidene]hydrazino]-2-oxo-ethyl]-3,4-dimethoxy-benzamide N-[2-[(N'E)-N'-[1-(4-aminophenyl…

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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) 0.84 -3.22 -17.36 4 8 0 115 370.409 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2,4-dichloro-6-[(E)-[2-(4-methoxyphenyl)-1,3-benzoxazol-6-yl]iminomethyl]phenol 2,4-dichloro-6-[(E)-[2-(4-methox…

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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) 6.21 6.57 -10.67 1 5 0 68 413.26 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[2-[(N'E)-N'-(4-ethoxybenzylidene)hydrazino]-2-keto-ethyl]-2,2-diphenyl-acetamide N-[2-[(N'E)-N'-(4-ethoxybenzylid…

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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) 4.12 -1.53 -15.19 2 6 0 79 415.493 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-iodo-6-[(E)-(2-phenyl-1,3-benzoxazol-6-yl)iminomethyl]phenol 2-iodo-6-[(E)-(2-phenyl-1,3-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) 5.92 7.34 -12.04 1 4 0 59 440.24 3 ↓

    Analogs

    4287069
    4287069
    4354168
    4354168
    39724865
    39724865

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-bromo-N-[2-[(N'E)-N'-(4-ethoxybenzylidene)hydrazino]-2-keto-ethyl]benzamide 2-bromo-N-[2-[(N'E)-N'-(4-ethoxy…

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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) 3.40 -2.76 -15.02 2 6 0 79 404.264 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[2-[(N'E)-N'-(2-hydroxy-3-methyl-benzylidene)hydrazino]-2-keto-ethyl]-3,4,5-trimethoxy-benzamide N-[2-[(N'E)-N'-(2-hydroxy-3-meth…

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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 -2.61 -17.06 3 9 0 118 401.419 8 ↓

    Analogs

    4292998
    4292998
    4330500
    4330500

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-bromo-N-[2-keto-2-[(N'E)-N'-(4-methylbenzylidene)hydrazino]ethyl]benzamide 2-bromo-N-[2-keto-2-[(N'E)-N'-(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) 3.42 -2.47 -14.26 2 5 0 70 374.238 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-bromo-4-chloro-6-[(E)-(2,3-dichlorophenyl)iminomethyl]phenol 2-bromo-4-chloro-6-[(E)-(2,3-dic…

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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) 5.85 7.66 -7.78 1 2 0 33 379.468 2 ↓
    Mid Mid (pH 6-8) 5.85 7.2 -29.39 0 2 -1 35 378.46 2 ↓
    Mid Mid (pH 6-8) 5.85 8.43 -39 0 2 -1 35 378.46 2 ↓

    Analogs

    3180531
    3180531

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2,4-dibromo-6-[(E)-(2,3-dichlorophenyl)iminomethyl]phenol 2,4-dibromo-6-[(E)-(2,3-dichloro…

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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) 5.99 7.75 -7.67 1 2 0 33 423.919 2 ↓
    Mid Mid (pH 6-8) 5.99 8.52 -38.92 0 2 -1 35 422.911 2 ↓
    Mid Mid (pH 6-8) 5.99 7.32 -29.43 0 2 -1 35 422.911 2 ↓

    Analogs

    5712373
    5712373
    5745286
    5745286
    5746250
    5746250

    Draw Identity 99% 90% 80% 70%

    Popular Name: benzoic acid, 2-bromo-, 4-formyl-2-methoxyphenyl ester benzoic acid, 2-bromo-, 4-formyl…

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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) 3.61 2.75 -13.67 0 4 0 52 335.153 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-chloro-2-[(E)-(2,3-dichlorophenyl)iminomethyl]phenol 4-chloro-2-[(E)-(2,3-dichlorophe…

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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) 5.33 6.99 -7.31 1 2 0 33 300.572 2 ↓
    Hi High (pH 8-9.5) 5.33 6.55 -32.62 0 2 -1 35 299.564 2 ↓
    Hi High (pH 8-9.5) 5.33 7.77 -42.32 0 2 -1 35 299.564 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-bromobenzoic-acid-(3-formylphenyl)-ester 3-bromobenzoic-acid-(3-formylphe…

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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) 4.36 2.48 -8.7 0 3 0 43 305.127 4 ↓

    Analogs

    4180143
    4180143

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-methyl-N-[(4-morpholinophenyl)methyleneamino]aniline 2-methyl-N-[(4-morpholinophenyl)…

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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) 5.11 8.44 -7.49 1 4 0 37 295.386 4 ↓

    Analogs

    2171401
    2171401
    2171406
    2171406

    Draw Identity 99% 90% 80% 70%

    Popular Name: (E)-(2,4-dichlorobenzylidene)-(2,3-dichlorophenyl)amine (E)-(2,4-dichlorobenzylidene)-(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) 6.01 10.28 -8.73 0 1 0 12 319.018 2 ↓

    Analogs

    8254291
    8254291

    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) 3.97 2.73 -11.94 0 4 0 52 335.153 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (E)-[5-(3-chloro-4-fluoro-phenyl)-2-furyl]methylene-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]amine (E)-[5-(3-chloro-4-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) 8.18 13.91 -15.02 0 3 0 38 446.934 4 ↓
    Lo Low (pH 4.5-6) 8.18 14.37 -45.67 1 3 1 40 447.942 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [2-methoxy-4-(4-pyridylcarbonylaminoiminomethyl)phenyl] [2-methoxy-4-(4-pyridylcarbonyla…

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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) 4.05 9.68 -20.1 1 7 0 90 454.28 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(3-chlorophenyl)-N'-[(2-hydroxy-5-nitro-phenyl)methyleneamino]butanediamide N-(3-chlorophenyl)-N'-[(2-hydrox…

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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 5.43 -15.66 3 9 0 137 390.783 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N'-[(E)-(5-bromo-2-hydroxy-benzylidene)amino]-N-(4-fluorophenyl)succinamide N'-[(E)-(5-bromo-2-hydroxy-benzy…

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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) 3.62 4.89 -14.23 3 6 0 91 408.227 6 ↓
    Hi High (pH 8-9.5) 3.62 5.66 -51.94 2 6 -1 94 407.219 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: HYDROBENZAMIDE HYDROBENZAMIDE

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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) 4.80 11.63 -35.64 1 2 1 26 299.397 5 ↓
    Ref Reference (pH 7) 4.80 10.54 -34.09 1 2 1 26 299.397 5 ↓
    Hi High (pH 8-9.5) 4.80 11.63 -35.64 1 2 1 26 299.397 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyleneamino]-4-methyl-3-nitro-benzenesulfonamide N-[[4-[(2-chlorophenyl)methoxy]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) 5.06 9.81 -15.14 1 8 0 114 459.911 8 ↓
    Hi High (pH 8-9.5) 5.06 10.09 -44.43 0 8 -1 116 458.903 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(3-methylphenoxy)-N-[(E)-phenacylideneamino]acetamide 2-(3-methylphenoxy)-N-[(E)-phena…

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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) 2.51 7.86 -23.88 1 5 0 68 296.326 6 ↓

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