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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

    20879443
    20879443

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-chloro-3-[[4-[(2R)-2-(1,3-dimethyl-2-oxo-benzimidazol-5-yl)-2-hydroxy-ethoxy]phenyl]methylamino]be 4-chloro-3-[[4-[(2R)-2-(1,3-dime…

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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 9.22 -57.71 2 8 -1 109 480.928 8 ↓

    Analogs

    10214021
    10214021
    10214335
    10214335

    Draw Identity 99% 90% 80% 70%

    Popular Name: benzoic acid, 2-[[(2-methylphenoxy)acetyl]oxy]-, 2-phenoxyethyl ester benzoic acid, 2-[[(2-methylpheno…

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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) 5.15 4.37 -17.13 0 6 0 71 406.434 11 ↓

    Analogs

    9973324
    9973324
    9973321
    9973321
    9973322
    9973322

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4-chlorophenyl)-(2-methoxyphenyl)-thioxo-BLAHone (4-chlorophenyl)-(2-methoxypheny…

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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) 5.94 -0.95 -13.86 1 5 0 48 473.985 3 ↓

    Analogs

    625198
    625198
    625187
    625187

    Draw Identity 99% 90% 80% 70%

    Popular Name: ethyl 4-(5-(4-chlorophenyl)-1-oxo-3-thioxo-5,6,11,11a-tetrahydro-1H-imidazo[5',1':6,1]pyrido[3,4-b]indol-2(3H)-yl)benzoate ethyl 4-(5-(4-chlorophenyl)-1-ox…

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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) 6.48 0 -13.23 1 6 0 65 516.022 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (E)-(2-methyl-1H-indol-3-yl)methylene-phenyl-BLAHone (E)-(2-methyl-1H-indol-3-yl)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) 7.12 16.76 -14.83 1 4 0 50 473.601 2 ↓

    Analogs

    12652435
    12652435
    12652439
    12652439
    12652443
    12652443
    12652449
    12652449

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-furyl-N,N-bis[2-furyl-(2-methoxyphenyl)-oxo-BLAHyl]-(2-methoxyphenyl)-oxo-BLAHcarboxamide 2-furyl-N,N-bis[2-furyl-(2-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) 5.85 13.61 -20.91 2 7 0 84 511.622 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (E)-(2-methyl-1H-indol-3-yl)methylene-phenyl-BLAHone (E)-(2-methyl-1H-indol-3-yl)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) 7.12 16.7 -14.88 1 4 0 50 473.601 2 ↓

    Analogs

    59559015
    59559015

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]thiocarbamoyl]-2-nitro-benzamide N-[[4-[4-[(2-chlorophenyl)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) 4.32 -2.02 -61.68 3 8 1 94 511.027 8 ↓

    Analogs

    17072055
    17072055
    17072056
    17072056
    17072514
    17072514
    17072515
    17072515
    17074089
    17074089

    Draw Identity 99% 90% 80% 70%

    Popular Name: 8-(2-methoxyethoxymethyl)-N-(o-tolyl)-3-oxo-2,6,7,9-tetrazabicyclo[4.3.0]nona-7,9-diene-5-carboxamid 8-(2-methoxyethoxymethyl)-N-(o-t…

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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) 0.14 5.8 -12.9 2 9 0 107 359.386 7 ↓
    Hi High (pH 8-9.5) 0.32 3.75 -48.86 1 9 -1 114 358.378 7 ↓

    Analogs

    9934301
    9934301

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[1-(4-chlorophenyl)-3-cyclopentyl-2,5-dioxo-imidazolidin-4-yl]-N-(3-fluorophenyl)-acetamide 2-[1-(4-chlorophenyl)-3-cyclopen…

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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) 5.62 0.83 -17.26 1 6 0 69 429.879 5 ↓

    Analogs

    9934302
    9934302

    Draw Identity 99% 90% 80% 70%

    Popular Name: methyl 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) 5.00 1.32 -21.84 1 9 0 105 465.506 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-furyl-(2-methoxyphenyl)-[(4-methoxyphenyl)methyl]BLAHone 2-furyl-(2-methoxyphenyl)-[(4-me…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 5.75 13.34 -11.38 1 6 0 64 506.602 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(5-iodo-6-methyl-2-pyridyl)thiocarbamoyl]-2-methyl-3-nitro-benzamide N-[(5-iodo-6-methyl-2-pyridyl)th…

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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 -1.21 -26.32 2 7 0 99 456.265 5 ↓
    Lo Low (pH 4.5-6) 3.91 -1.15 -46.62 3 7 1 101 457.273 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (E)-(6-nitro-1,3-benzodioxol-5-yl)methylene-phenyl-BLAHone (E)-(6-nitro-1,3-benzodioxol-5-y…

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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) 6.52 14.59 -12.28 0 8 0 99 509.543 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (E)-(6-nitro-1,3-benzodioxol-5-yl)methylene-phenyl-BLAHone (E)-(6-nitro-1,3-benzodioxol-5-y…

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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) 6.52 14.65 -12.74 0 8 0 99 509.543 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(3-chloro-4-morpholino-phenyl)-1-(4-nitrophenyl)-cyclopentane-1-carboxamide N-(3-chloro-4-morpholino-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) 4.71 -1.19 -13.1 1 7 0 87 429.904 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(4-methyl-2-pyridyl)-1-(5-oxo-1-phenyl-pyrrolidin-3-yl)carbonyl-piperidine-4-carboxamide N-(4-methyl-2-pyridyl)-1-(5-oxo-…

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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) 1.83 -0.8 -29.54 1 7 0 83 406.486 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(2-fluorophenyl)-N-(4-methoxyphenyl)-piperidine-4-carboxamide 1-(2-fluorophenyl)-N-(4-methoxyp…

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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) 3.79 7.24 -12.7 1 4 0 42 328.387 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (E)-1,3-benzodioxol-5-ylmethylene(phenyl)BLAHone (E)-1,3-benzodioxol-5-ylmethylen…

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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) 6.64 14.68 -12.73 0 5 0 53 464.546 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: cyclohexanepropanamide, N-[[[3-(1-methylpropoxy)phenyl]amino]thioxomethyl]- cyclohexanepropanamide, N-[[[3-(…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 4.96 10.89 -18.63 2 4 0 50 362.539 9 ↓

    Analogs

    10471859
    10471859
    10671477
    10671477

    Draw Identity 99% 90% 80% 70%

    Popular Name: butanoic acid, 4-(2,4-dichlorophenoxy)-, 2-[[[3-(1-methylpropoxy)benzoyl]amino]thioxomethyl]hydrazide butanoic acid, 4-(2,4-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) 5.18 -3.63 -33.36 3 7 0 88 498.432 12 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (E)-1,3-benzodioxol-5-ylmethylene(phenyl)BLAHone (E)-1,3-benzodioxol-5-ylmethylen…

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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) 6.64 14.75 -13.22 0 5 0 53 464.546 2 ↓

    Analogs

    10475396
    10475396
    43478539
    43478539
    43478636
    43478636
    43478685
    43478685
    43478939
    43478939

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-benzyl-1-(3-chloro-4-ethoxy-phenyl)-methanamine N-benzyl-1-(3-chloro-4-ethoxy-ph…

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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) 3.93 0.13 -48.29 2 2 1 25 276.787 6 ↓

    Analogs

    625187
    625187

    Draw Identity 99% 90% 80% 70%

    Popular Name: ethyl 4-(5-(4-chlorophenyl)-1-oxo-3-thioxo-5,6,11,11a-tetrahydro-1H-imidazo[5',1':6,1]pyrido[3,4-b]indol-2(3H)-yl)benzoate ethyl 4-(5-(4-chlorophenyl)-1-ox…

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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) 6.48 -0.07 -13.75 1 6 0 65 516.022 5 ↓

    Analogs

    8398257
    8398257

    Draw Identity 99% 90% 80% 70%

    Popular Name: (E)-(2-chlorophenyl)methylene-phenyl-BLAHone (E)-(2-chlorophenyl)methylene-ph…

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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) 7.38 16.47 -9.4 0 3 0 34 454.982 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-benzo[1,3]dioxol-5-yl-3-(4-fluorophenyl)sulfonylamino-propanamide N-benzo[1,3]dioxol-5-yl-3-(4-flu…

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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) 2.13 -5.68 -17.26 2 7 0 93 366.37 6 ↓

    Analogs

    10315675
    10315675
    10315676
    10315676
    10315677
    10315677

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[1-[(2-chlorophenyl)methyl]-2-methyl-indol-3-yl]methylamino]-3-(1H-indol-3-yl)propanoic 2-[[1-[(2-chlorophenyl)methyl]-2…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.89 -0.27 -32.83 3 5 0 77 471.988 8 ↓

    Analogs

    21346426
    21346426
    21346430
    21346430
    21346436
    21346436
    8216342
    8216342
    8216344
    8216344

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[[4-[(3-methyl-1-piperidyl)carbonyl]-1-piperidyl]carbonyl]-1-phenyl-pyrrolidin-2-one 4-[[4-[(3-methyl-1-piperidyl)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) 2.02 -0.35 -26.99 0 6 0 61 397.519 3 ↓

    Analogs

    34991883
    34991883
    37997962
    37997962
    37997963
    37997963

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-{2-[(5-bromo-2-methoxybenzyl)amino]ethoxy}ethanol 2-{2-[(5-bromo-2-methoxybenzyl)a…

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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) 1.55 -4 -37.26 3 4 1 55 305.192 8 ↓

    Analogs

    8398257
    8398257

    Draw Identity 99% 90% 80% 70%

    Popular Name: (E)-(2-chlorophenyl)methylene-phenyl-BLAHone (E)-(2-chlorophenyl)methylene-ph…

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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) 7.38 16.53 -9.77 0 3 0 34 454.982 2 ↓

    Analogs

    43479519
    43479519
    43479529
    43479529
    43479547
    43479547
    43479841
    43479841

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(tert-butyl)-N-(3,5-dichloro-4-ethoxybenzyl)amine N-(tert-butyl)-N-(3,5-dichloro-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) 4.33 0.65 -41.61 2 2 1 25 277.215 5 ↓

    Analogs

    9906866
    9906866

    Draw Identity 99% 90% 80% 70%

    Popular Name: (7R)-7-[4-[(4-fluorophenyl)methoxy]-3-methoxy-phenyl]-N-(4-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2, (7R)-7-[4-[(4-fluorophenyl)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) 4.29 13.98 -15.04 2 9 0 100 515.545 8 ↓
    Mid Mid (pH 6-8) 4.46 13.96 -40.63 1 9 -1 101 514.537 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-(4-chlorophenyl)-N-[[2-(4-fluorophenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]furan-2-carboxami 5-(4-chlorophenyl)-N-[[2-(4-fluo…

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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) 5.45 0.4 -21.54 2 7 0 84 505.962 6 ↓

    Analogs

    10475459
    10475459

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[(3-chloro-4-ethoxy-phenyl)methylamino]-3-(1H-indol-3-yl)propanoic 2-[(3-chloro-4-ethoxy-phenyl)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) 2.27 -0.92 -40.84 3 5 0 81 372.852 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (E)-(4-allyloxy-3-methoxy-phenyl)methylene-phenyl-BLAHone (E)-(4-allyloxy-3-methoxy-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) 7.04 16.83 -14.46 0 5 0 53 506.627 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: benzamide, 3-[[(4-bromophenoxy)acetyl]amino]-N,N-diethyl- benzamide, 3-[[(4-bromophenoxy)a…

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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) 3.30 9.25 -23.71 1 5 0 59 405.292 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-propenoic acid, 2-cyano-3-[[4-[[(2,6-dimethylphenyl)amino]sulfonyl]phenyl]amino]-, ethyl ester 2-propenoic acid, 2-cyano-3-[[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) 3.50 8.48 -14.88 2 7 0 108 399.472 8 ↓
    Hi High (pH 8-9.5) 3.50 8.53 -43.77 1 7 -1 110 398.464 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (E)-(4-allyloxy-3-methoxy-phenyl)methylene-phenyl-BLAHone (E)-(4-allyloxy-3-methoxy-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) 7.04 16.77 -14.15 0 5 0 53 506.627 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(4-isopropylphenyl)-2-(methyl-(p-tolylsulfonyl)amino)-benzamide N-(4-isopropylphenyl)-2-(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) 5.75 -1.1 -19.93 1 5 0 66 422.55 6 ↓

    Analogs

    25360015
    25360015
    34992919
    34992919
    34993532
    34993532

    Draw Identity 99% 90% 80% 70%

    Popular Name: N'-[(3,5-dibromo-4-ethoxy-phenyl)methyl]-N,N-diethyl-ethane-1,2-diamine N'-[(3,5-dibromo-4-ethoxy-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) 4.18 7.45 -48 2 3 1 29 409.186 9 ↓
    Mid Mid (pH 6-8) 4.18 8.07 -37.77 2 3 1 26 409.186 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: benzenepropanamide, 2-chloro-N-[thioxo[(2,4,5-trichlorophenyl)amino]methyl]- benzenepropanamide, 2-chloro-N-[…

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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) 5.51 -1.69 -15.55 2 3 0 41 422.164 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: benzoic acid, 4-[[(4-bromophenoxy)acetyl]oxy]-, 3-phenylpropyl ester benzoic acid, 4-[[(4-bromophenox…

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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) 6.26 3.68 -12.62 0 5 0 61 469.331 11 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (E)-(4-tert-butylphenyl)methylene-phenyl-BLAHone (E)-(4-tert-butylphenyl)methylen…

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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) 8.37 18.43 -11.21 0 3 0 34 476.645 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[(3,5-dibromo-2-ethoxy-phenyl)methylamino]-N-isobutyl-benzamide 3-[(3,5-dibromo-2-ethoxy-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) 5.39 9.29 -11 2 4 0 50 484.232 8 ↓

    Analogs

    9614760
    9614760

    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) 2.42 -5.14 -21.48 1 8 0 96 485.606 7 ↓

    Analogs

    10315555
    10315555

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[[1-[(2,4-dichlorophenyl)methyl]-2-methyl-indol-3-yl]methyl]-2-(3,4-dimethoxyphenyl)-ethanamine N-[[1-[(2,4-dichlorophenyl)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) 6.27 1.11 -56.52 2 4 1 40 484.447 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(p-tolyl)acetamide N-[(1R)-1-(2,4-dimethylphenyl)et…

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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) 4.45 9.97 -10.33 1 2 0 29 281.399 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (E)-(4-tert-butylphenyl)methylene-phenyl-BLAHone (E)-(4-tert-butylphenyl)methylen…

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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) 8.37 18.37 -11.1 0 3 0 34 476.645 3 ↓

    Analogs

    20877102
    20877102

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1R)-2-[2-bromo-4-[(cyclohexylamino)methyl]-6-methoxy-phenoxy]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)e (1R)-2-[2-bromo-4-[(cyclohexylam…

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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) 4.30 8.53 -54.19 3 6 1 74 493.418 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (E)-(4-isopropylphenyl)methylene-phenyl-BLAHone (E)-(4-isopropylphenyl)methylene…

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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) 8.23 18.03 -11.33 0 3 0 34 462.618 3 ↓

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