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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: 2-[[(4R)-3-cyano-4-(4-isopropylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-cyclohe 2-[[(4R)-3-cyano-4-(4-isopropylp…

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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) 5.68 13.37 -35.41 2 5 0 82 463.647 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(4-methoxyphenyl)-4-phenyl-pyrimido[2,1-b]quinazolin-6-one 2-(4-methoxyphenyl)-4-phenyl-pyr…

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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) 5.05 1.1 -14.27 0 5 0 56 379.419 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5-methoxy-2-methyl-3-phenyl-benzofuran-6-yl)methyl-(2-methoxy-5-phenyl-phenyl)amine (5-methoxy-2-methyl-3-phenyl-ben…

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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) 7.20 1.68 -9.42 1 4 0 43 449.55 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [(2R)-tetrahydrofuran-2-yl]methyl [(2R)-tetrahydrofuran-2-yl]methyl

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.62 10.97 -19.23 1 6 0 78 439.533 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [(2R)-tetrahydrofuran-2-yl]methyl [(2R)-tetrahydrofuran-2-yl]methyl

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.62 10.91 -19.46 1 6 0 78 439.533 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: ethyl ethyl

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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) 4.31 10.1 -10.43 0 6 0 55 408.498 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[(2R)-4-[(2-phenylthiazol-5-yl)methyl]-1-(2-thienylmethyl)piperazin-2-yl]ethanol 2-[(2R)-4-[(2-phenylthiazol-5-yl…

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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) 3.65 4.89 -10.57 1 4 0 40 399.585 7 ↓
    Mid Mid (pH 6-8) 3.65 7.16 -37.68 2 4 1 41 400.593 7 ↓
    Mid Mid (pH 6-8) 3.65 7.26 -51.29 2 4 1 41 400.593 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[[(2S)-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]-4-fluoro-benzamide N-[[(2S)-2,3-dihydro-1,4-benzodi…

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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) 2.44 -0.53 -9.51 1 4 0 47 287.29 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[[(2R)-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]-4-fluoro-benzamide N-[[(2R)-2,3-dihydro-1,4-benzodi…

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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) 2.44 -0.6 -9.6 1 4 0 47 287.29 3 ↓

    Analogs

    12209522
    12209522

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[[1-[2-(4-fluorophenyl)ethyl]-4-piperidyl]methyl]-N-methyl-1-[5-[(2S)-tetrahydropyran-2-yl]-2-thie N-[[1-[2-(4-fluorophenyl)ethyl]-…

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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) 5.50 1.79 -111.05 2 3 2 18 432.649 8 ↓

    Analogs

    19894508
    19894508
    1110468
    1110468

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[5-(4-methoxyphenyl)-4-phenyl-thiazol-2-yl]thiophene-2-carboxamide N-[5-(4-methoxyphenyl)-4-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) 5.43 -0.92 -13.89 1 4 0 51 392.505 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-([1,1'-biphenyl]-4-yldiazenyl)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one 4-([1,1'-biphenyl]-4-yldiazenyl)…

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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) 5.13 9.88 -12.79 0 5 0 57 354.413 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[(3-chloro-4-fluoro-phenyl)aminomethyl]-2-methoxy-6-nitro-phenol 4-[(3-chloro-4-fluoro-phenyl)ami…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.42 0 -47.79 1 6 -1 90 325.703 5 ↓

    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) 5.34 10.34 -10.13 1 3 0 42 350.849 3 ↓
    Mid Mid (pH 6-8) 5.40 8.81 -6.48 1 3 0 45 350.849 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[[1-[2-(4-chlorophenyl)ethyl]-4-piperidyl]methyl]-N,2-dimethyl-pyrazole-3-carboxamide N-[[1-[2-(4-chlorophenyl)ethyl]-…

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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) 3.35 1.52 -51.93 1 5 1 43 375.924 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[4-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]phenyl]ethanone 1-[4-[4-(6-phenylpyridazin-3-yl)…

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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) 4.01 -2.05 -14.3 0 5 0 49 358.445 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-phenyl-pyridazin-3-amine N-[2-(3,4-dimethoxyphenyl)ethyl]…

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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) 3.73 8.74 -14.03 1 5 0 56 335.407 7 ↓

    Analogs

    36731743
    36731743
    36731763
    36731763
    36731767
    36731767

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-pyrazin-2-ylazepane 1-pyrazin-2-ylazepane

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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) 1.87 -2.24 -4.5 0 3 0 29 177.251 1 ↓

    Analogs

    21801684
    21801684
    36731763
    36731763
    42187728
    42187728
    21791790
    21791790

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-cyclopentylpyrazin-2-amine N-cyclopentylpyrazin-2-amine

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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) 1.61 3.41 -4.95 1 3 0 38 163.224 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) 3.17 -0.16 -47.28 2 4 1 43 332.251 4 ↓

    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) 3.21 10.29 -10.87 0 8 0 96 403.822 5 ↓

    Analogs

    3002658
    3002658

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(4-bromo-3,5-dimethyl-phenoxy)-N-(3-morpholinopropyl)acetamide 2-(4-bromo-3,5-dimethyl-phenoxy)…

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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) 2.81 5.19 -12.89 1 5 0 51 385.302 7 ↓
    Mid Mid (pH 6-8) 3.00 3.82 -40.5 2 5 1 55 386.31 7 ↓

    Analogs

    5698277
    5698277

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[[2-(2-isopropyl-5-methyl-phenoxy)acetyl]amino]benzoic-acid-2-methoxyethyl-ester 4-[[2-(2-isopropyl-5-methyl-phen…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 4.18 2.13 -16.08 1 6 0 73 385.46 10 ↓

    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) 5.71 1.48 -19.35 1 6 0 87 397.434 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(5-chloro-2-methylphenyl)-3,4,5-trimethoxybenzamide N-(5-chloro-2-methylphenyl)-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) 3.51 1.64 -12.7 1 5 0 56 335.787 5 ↓

    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) 5.17 10.81 -24.22 1 8 0 106 463.877 6 ↓

    Analogs

    26146965
    26146965

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-methoxy-2-naphthamide N-[4-(1,3-benzoxazol-2-yl)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) 6.25 -0.54 -18.58 1 5 0 64 394.43 4 ↓

    Analogs

    9056721
    9056721

    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) 5.92 0.73 -21.09 1 1 0 87 417.852 6 ↓

    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) 2.30 -3.89 -52.79 1 6 -1 98 331.373 7 ↓

    Analogs

    25070881
    25070881
    25070885
    25070885
    25070987
    25070987
    25070992
    25070992

    Draw Identity 99% 90% 80% 70%

    Popular Name: methyl 4-(3-ethoxy-4-hydroxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate methyl 4-(3-ethoxy-4-hydroxyphen…

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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) 2.25 -2.88 -12.65 3 6 0 79 322.386 5 ↓

    Analogs

    2729582
    2729582
    825436
    825436

    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) 4.36 1.08 -14.65 1 7 0 101 388.445 6 ↓

    Analogs

    25070881
    25070881
    25070885
    25070885
    25070987
    25070987
    25070992
    25070992

    Draw Identity 99% 90% 80% 70%

    Popular Name: methyl 4-(3-ethoxy-4-hydroxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate methyl 4-(3-ethoxy-4-hydroxyphen…

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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) 2.25 -2.9 -12.77 3 6 0 79 322.386 5 ↓

    Analogs

    5815682
    5815682
    5855491
    5855491
    5871460
    5871460

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4-nitrophenyl)-(1,2,3,4-tetrahydrocarbazol-9-yl)methanone (4-nitrophenyl)-(1,2,3,4-tetrahy…

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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) 4.83 2.66 -8.01 0 5 0 67 320.348 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) 3.28 1.91 -13.76 1 7 0 101 348.38 5 ↓

    Analogs

    5477155
    5477155

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-ethyl-5-methyl-2-[(4-methyl-3-nitro-benzoyl)amino]thiophene-3-carboxylic-acid-ethyl-ester 4-ethyl-5-methyl-2-[(4-methyl-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) 4.15 2.09 -14.88 1 7 0 101 376.434 7 ↓

    Analogs

    1945797
    1945797
    1959365
    1959365
    1959565
    1959565
    5705203
    5705203
    6131267
    6131267

    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) 4.95 1.61 -16.77 1 6 0 87 379.441 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-bromo-N-[(1-ethyl-4-piperidylidene)amino]benzenesulfonamide 4-bromo-N-[(1-ethyl-4-piperidyli…

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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) 2.53 -4.58 -47.07 2 5 1 62 361.285 4 ↓

    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) 2.23 2.18 -15.02 1 7 0 100 273.248 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: dioxo-(p-tolyl)BLAHcarboxylic dioxo-(p-tolyl)BLAHcarboxylic

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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 10.33 -43.55 0 5 -1 79 330.319 2 ↓

    Analogs

    376148
    376148

    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) 2.40 0.89 -57.73 2 7 1 91 319.385 6 ↓

    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) 5.83 1.85 -21.42 1 6 0 87 415.424 4 ↓

    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) 3.54 1.64 -11.47 1 7 0 101 368.798 5 ↓

    Analogs

    34869953
    34869953

    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) 5.73 0.79 -23.62 1 6 0 87 383.407 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (E)-N-(1,3-benzodioxol-5-yl)-3-(4-nitrophenyl)acrylamide (E)-N-(1,3-benzodioxol-5-yl)-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) 3.32 0.3 -15.14 1 7 0 93 312.281 4 ↓

    Analogs

    4134539
    4134539

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(4-chloro-3-nitro-phenyl)sulfonylamino-3-phenyl-propanoic 3-(4-chloro-3-nitro-phenyl)sulfo…

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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 -3.85 -47.7 1 8 -1 132 383.789 7 ↓

    Analogs

    4134540
    4134540

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(4-chloro-3-nitro-phenyl)sulfonylamino-3-phenyl-propanoic 3-(4-chloro-3-nitro-phenyl)sulfo…

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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 -3.78 -46.88 1 8 -1 132 383.789 7 ↓

    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) 5.39 12.71 -15.88 0 7 0 82 517.383 4 ↓

    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) 1.23 0.8 -48.22 1 8 -1 115 367.403 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(1-benzyl-4-piperidylidene)amino]-2-phenyl-cyclopropane-1-carboxamide N-[(1-benzyl-4-piperidylidene)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) 3.37 0.19 -50.71 2 4 1 45 348.47 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(1-benzyl-4-piperidylidene)amino]-2-phenyl-cyclopropane-1-carboxamide N-[(1-benzyl-4-piperidylidene)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) 3.37 0.34 -51.79 2 4 1 45 348.47 5 ↓

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