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    • Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: benzamide, N-[[[4-(acetylamino)phenyl]amino]thioxomethyl]-3,5-dichloro- benzamide, N-[[[4-(acetylamino)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) 2.89 -2.73 -24.62 3 5 0 70 382.272 5 ↓

    Analogs

    10505206
    10505206
    2979725
    2979725

    Draw Identity 99% 90% 80% 70%

    Popular Name: benzamide, 3,5-dichloro-N-[[(3-chlorophenyl)amino]thioxomethyl]- benzamide, 3,5-dichloro-N-[[(3-c…

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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 -1.78 -18.04 2 3 0 41 359.665 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: benzamide, 3,5-dichloro-N-[(ethylphenylamino)thioxomethyl]- benzamide, 3,5-dichloro-N-[(ethy…

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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) 4.92 0.09 -16.8 1 3 0 32 353.274 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: benzamide, 3,5-dichloro-N-[[(4-hydroxyphenyl)amino]thioxomethyl]- benzamide, 3,5-dichloro-N-[[(4-h…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.19 -3.61 -18.36 3 4 0 61 341.219 4 ↓

    Analogs

    4852923
    4852923

    Draw Identity 99% 90% 80% 70%

    Popular Name: benzamide, 3,5-dichloro-N-[[(2,4-dichlorophenyl)amino]thioxomethyl]- benzamide, 3,5-dichloro-N-[[(2,4…

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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) 4.95 -1.79 -12.57 2 3 0 41 394.11 4 ↓

    Analogs

    10505210
    10505210

    Draw Identity 99% 90% 80% 70%

    Popular Name: benzamide, 3,5-dichloro-N-[[(3-methylphenyl)amino]thioxomethyl]- benzamide, 3,5-dichloro-N-[[(3-m…

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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) 4.09 -1.31 -16.17 2 3 0 41 339.247 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: benzamide, 3,5-dichloro-N-[(phenylamino)thioxomethyl]- benzamide, 3,5-dichloro-N-[(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) 3.67 -1.63 -16.2 2 3 0 41 325.22 4 ↓

    Analogs

    6511616
    6511616

    Draw Identity 99% 90% 80% 70%

    Popular Name: benzamide, 3,5-dichloro-N-[[(2-chlorophenyl)amino]thioxomethyl]- benzamide, 3,5-dichloro-N-[[(2-c…

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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 -1.64 -13.45 2 3 0 41 359.665 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: benzamide, 3,5-dichloro-N-[[(3-nitrophenyl)amino]thioxomethyl]- benzamide, 3,5-dichloro-N-[[(3-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) 3.60 -1.11 -26.08 2 6 0 86 370.217 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: benzamide, 3,5-dichloro-N-[[(4-chlorophenyl)amino]thioxomethyl]- benzamide, 3,5-dichloro-N-[[(4-c…

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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) 4.34 -1.78 -16.23 2 3 0 41 359.665 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: benzamide, 3,5-dichloro-N-[[(3,4-dimethylphenyl)amino]thioxomethyl]- benzamide, 3,5-dichloro-N-[[(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) 4.49 -1.02 -16.24 2 3 0 41 353.274 4 ↓

    Analogs

    6629935
    6629935
    6629936
    6629936
    6629952
    6629952

    Draw Identity 99% 90% 80% 70%

    Popular Name: benzamide, 3,5-dichloro-N-[[[4-(diethylamino)phenyl]amino]thioxomethyl]- benzamide, 3,5-dichloro-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) 4.52 -1.12 -16.62 2 4 0 44 396.343 7 ↓

    Analogs

    10505200
    10505200

    Draw Identity 99% 90% 80% 70%

    Popular Name: benzamide, 3,5-dichloro-N-[[(2,4-dimethylphenyl)amino]thioxomethyl]- benzamide, 3,5-dichloro-N-[[(2,4…

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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) 4.49 -0.82 -16.23 2 3 0 41 353.274 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: benzamide, 3,5-dichloro-N-[[(4-ethoxyphenyl)amino]thioxomethyl]- benzamide, 3,5-dichloro-N-[[(4-e…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 4.10 -1.61 -17.91 2 4 0 50 369.273 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: benzamide, N-[[(4-acetylphenyl)amino]thioxomethyl]-3,5-dichloro- benzamide, N-[[(4-acetylphenyl)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) 3.57 -1.17 -18.1 2 4 0 58 367.257 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: benzamide, N-[[(4-bromophenyl)amino]thioxomethyl]-3,5-dichloro- benzamide, N-[[(4-bromophenyl)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) 4.47 -2.39 -16.16 2 3 0 41 404.116 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: benzamide, N-[[[4-(acetylmethylamino)phenyl]amino]thioxomethyl]-3,5-dichloro- benzamide, N-[[[4-(acetylmethyla…

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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) 3.13 -1.12 -21.9 2 5 0 61 396.299 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: benzamide, 3,5-dichloro-N-[[(4-fluorophenyl)amino]thioxomethyl]- benzamide, 3,5-dichloro-N-[[(4-f…

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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 -0.89 -16.91 2 3 0 41 343.21 4 ↓

    Analogs

    10505236
    10505236
    20120384
    20120384

    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) 2.49 -4.36 -20.18 4 5 0 84 368.245 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: benzamide, 3,5-dichloro-N-[[(4-chloro-3-nitrophenyl)amino]thioxomethyl]- benzamide, 3,5-dichloro-N-[[(4-c…

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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) 4.23 -1.28 -26.24 2 6 0 86 404.662 5 ↓

    Analogs

    14005004
    14005004

    Draw Identity 99% 90% 80% 70%

    Popular Name: benzamide, 3,5-dichloro-N-[[(4-iodophenyl)amino]thioxomethyl]- benzamide, 3,5-dichloro-N-[[(4-i…

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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) 4.75 -2.46 -15.93 2 3 0 41 451.116 4 ↓

    Analogs

    14005006
    14005006

    Draw Identity 99% 90% 80% 70%

    Popular Name: benzamide, N-[[[4-(aminosulfonyl)phenyl]amino]thioxomethyl]-3,5-dichloro- benzamide, N-[[[4-(aminosulfonyl…

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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 -7.88 -24.45 4 6 0 101 404.3 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: benzamide, 3,5-dichloro-N-[[(4-methoxyphenyl)amino]thioxomethyl]- benzamide, 3,5-dichloro-N-[[(4-m…

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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) 3.72 -1.62 -18.04 2 4 0 50 355.246 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: benzamide, 3,5-dichloro-N-[[(2-cyanophenyl)amino]thioxomethyl]- benzamide, 3,5-dichloro-N-[[(2-c…

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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 -0.18 -14.46 2 4 0 64 350.23 4 ↓

    Analogs

    10505172
    10505172

    Draw Identity 99% 90% 80% 70%

    Popular Name: benzamide, 3,5-dichloro-N-[thioxo[(2,4,6-trimethylphenyl)amino]methyl]- benzamide, 3,5-dichloro-N-[thiox…

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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 -0.68 -14.84 2 3 0 41 367.301 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: benzamide, N-[[[2-(aminocarbonyl)phenyl]amino]thioxomethyl]-3,5-dichloro- benzamide, N-[[[2-(aminocarbonyl…

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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 -3.96 -16.82 4 5 0 84 368.245 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: benzamide, 3,5-dichloro-N-[[(3,4-dichlorophenyl)amino]thioxomethyl]- benzamide, 3,5-dichloro-N-[[(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) 4.95 -1.91 -18.4 2 3 0 41 394.11 4 ↓

    Analogs

    2979725
    2979725
    10505131
    10505131

    Draw Identity 99% 90% 80% 70%

    Popular Name: benzamide, 3,5-dichloro-N-[[(3,5-dichlorophenyl)amino]thioxomethyl]- benzamide, 3,5-dichloro-N-[[(3,5…

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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 -1.94 -15.71 2 3 0 41 394.11 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: benzamide, 3,5-dichloro-N-[[(2-methyl-5-nitrophenyl)amino]thioxomethyl]- benzamide, 3,5-dichloro-N-[[(2-m…

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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) 4.00 -0.63 -24.78 2 6 0 86 384.244 5 ↓

    Analogs

    10505154
    10505154

    Draw Identity 99% 90% 80% 70%

    Popular Name: benzamide, 3,5-dichloro-N-[[(3,5-dimethylphenyl)amino]thioxomethyl]- benzamide, 3,5-dichloro-N-[[(3,5…

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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) 4.49 -0.98 -15.96 2 3 0 41 353.274 4 ↓

    Analogs

    6629935
    6629935
    6629936
    6629936
    6629952
    6629952

    Draw Identity 99% 90% 80% 70%

    Popular Name: benzamide, 3,5-dichloro-N-[[(2,5-dimethylphenyl)amino]thioxomethyl]- benzamide, 3,5-dichloro-N-[[(2,5…

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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) 4.49 -0.82 -16.17 2 3 0 41 353.274 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: benzoic acid, 4-[[[(3,5-dichlorobenzoyl)amino]thioxomethyl]amino]-, ethyl ester benzoic acid, 4-[[[(3,5-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) 4.21 -0.54 -18.66 2 5 0 67 397.283 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: benzamide, 3,5-dichloro-N-[[(2-methoxy-5-nitrophenyl)amino]thioxomethyl]- benzamide, 3,5-dichloro-N-[[(2-m…

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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 -1.02 -22.57 2 7 0 96 400.243 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: benzamide, 3,5-dichloro-N-[[(2-methyl-3-nitrophenyl)amino]thioxomethyl]- benzamide, 3,5-dichloro-N-[[(2-m…

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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) 3.98 -0.73 -17.03 2 6 0 86 384.244 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: benzamide, 3,5-dichloro-N-[[(2-methyl-4-nitrophenyl)amino]thioxomethyl]- benzamide, 3,5-dichloro-N-[[(2-m…

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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) 4.00 -0.63 -19.65 2 6 0 86 384.244 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: benzoic acid, 4-[[[(3,5-dichlorobenzoyl)amino]thioxomethyl]amino]-, propyl ester benzoic acid, 4-[[[(3,5-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) 4.72 -0.47 -18.45 2 5 0 67 411.31 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: benzamide, 3,5-dichloro-N-[[(3-chloro-2-methylphenyl)amino]thioxomethyl]- benzamide, 3,5-dichloro-N-[[(3-c…

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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) 4.70 -1.3 -15.05 2 3 0 41 373.692 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: benzamide, 3,5-dichloro-N-[[(2,5-dimethoxyphenyl)amino]thioxomethyl]- benzamide, 3,5-dichloro-N-[[(2,5…

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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 -1.54 -18.07 2 5 0 59 385.272 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: benzamide, 3,5-dichloro-N-[[(2-hydroxy-5-methylphenyl)amino]thioxomethyl]- benzamide, 3,5-dichloro-N-[[(2-h…

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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) 3.82 -3.21 -15 3 4 0 61 355.246 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: benzamide, 3,5-dichloro-N-[[(2-hydroxy-4-nitrophenyl)amino]thioxomethyl]- benzamide, 3,5-dichloro-N-[[(2-h…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.33 -3.01 -17.81 3 7 0 107 386.216 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: benzamide, 3,5-dichloro-N-[[(2-hydroxyphenyl)amino]thioxomethyl]- benzamide, 3,5-dichloro-N-[[(2-h…

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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 -3.53 -15.04 3 4 0 61 341.219 4 ↓

    Analogs

    20120384
    20120384
    10505189
    10505189

    Draw Identity 99% 90% 80% 70%

    Popular Name: benzamide, 3,5-dichloro-N-[[(4-methylphenyl)amino]thioxomethyl]- benzamide, 3,5-dichloro-N-[[(4-m…

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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 -1.32 -16.25 2 3 0 41 339.247 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: benzamide, 3,5-dichloro-N-[[(2-fluoro-5-nitrophenyl)amino]thioxomethyl]- benzamide, 3,5-dichloro-N-[[(2-f…

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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) 3.72 -0.34 -20.02 2 6 0 86 388.207 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: benzamide, N-[[(3-acetylphenyl)amino]thioxomethyl]-3,5-dichloro- benzamide, N-[[(3-acetylphenyl)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) 3.54 -1.15 -17.63 2 4 0 58 367.257 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: benzamide, 3,5-dichloro-N-[[(3-methoxyphenyl)amino]thioxomethyl]- benzamide, 3,5-dichloro-N-[[(3-m…

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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) 3.70 -1.61 -19.51 2 4 0 50 355.246 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: benzamide, 3,5-dichloro-N-[[(4-nitrophenyl)amino]thioxomethyl]- benzamide, 3,5-dichloro-N-[[(4-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) 3.63 -1.11 -20.42 2 6 0 86 370.217 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: benzoic acid, 4-[[[(3,5-dichlorobenzoyl)amino]thioxomethyl]amino]-, methyl ester benzoic acid, 4-[[[(3,5-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) 3.84 -0.51 -18.87 2 5 0 67 383.256 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: benzamide, 3,5-dichloro-N-[[(2-nitrophenyl)amino]thioxomethyl]- benzamide, 3,5-dichloro-N-[[(2-n…

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    Activity (Go SEA)

    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) 3.58 -0.76 -14.64 2 6 0 86 370.217 5 ↓

    Analogs

    14005063
    14005063
    39974854
    39974854
    39974863
    39974863

    Draw Identity 99% 90% 80% 70%

    Popular Name: benzamide, 3,5-dichloro-N-[[[4-[(diethylamino)sulfonyl]phenyl]amino]thioxomethyl]- benzamide, 3,5-dichloro-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) 3.73 -5.25 -23.27 2 6 0 78 460.408 8 ↓

    Analogs

    2979727
    2979727

    Draw Identity 99% 90% 80% 70%

    Popular Name: benzamide, 3,5-dichloro-N-[thioxo[(2,4,5-trichlorophenyl)amino]methyl]- benzamide, 3,5-dichloro-N-[thiox…

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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) 5.56 -1.92 -13.48 2 3 0 41 428.555 4 ↓

    Parameters Provided:

    ring.id = 9013
filter.purchasability = annotated
page.format = targets
page.num = 1

    Structural Results Found: (before additional filtering)

    SQL Query Was

    SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 9013 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?ring.id=9013&filter.purchasability=annotated

    Embed Link to Results

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