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    Analogs

    36888487
    36888487

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3,4-difluoro-N-(6-methoxy-3-pyridyl)-benzamide 3,4-difluoro-N-(6-methoxy-3-pyri…

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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) 2.41 3.31 -14.61 1 4 0 51 264.231 3 ↓

    Analogs

    34617965
    34617965
    34975424
    34975424

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(pyridin-3-yl)benzamide N-(pyridin-3-yl)benzamide

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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) 1.76 4.75 -9.28 1 3 0 42 198.225 2 ↓
    Lo Low (pH 4.5-6) 1.76 5.04 -38.35 2 3 1 43 199.233 2 ↓

    Analogs

    21816106
    21816106
    22162026
    22162026
    34839741
    34839741
    34839793
    34839793
    5199233
    5199233

    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) 2.60 -0.95 -9.58 1 4 0 51 242.278 3 ↓
    Lo Low (pH 4.5-6) 2.60 -0.39 -35.68 2 4 1 52 243.286 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[6-(diethylamino)-3-pyridyl]-3-[[(S)-methylsulfinyl]methyl]benzamide N-[6-(diethylamino)-3-pyridyl]-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) 1.90 7.42 -25.6 1 5 0 62 345.468 7 ↓
    Lo Low (pH 4.5-6) 1.90 7.8 -45.17 2 5 1 64 346.476 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[6-(diethylamino)-3-pyridyl]-3-[[(R)-methylsulfinyl]methyl]benzamide N-[6-(diethylamino)-3-pyridyl]-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) 1.90 7.42 -16.73 1 5 0 62 345.468 7 ↓
    Lo Low (pH 4.5-6) 1.90 7.8 -41.48 2 5 1 64 346.476 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(2-cyanoethylsulfamoyl)-N-(6-dimethylamino-3-pyridyl)benzamide 4-(2-cyanoethylsulfamoyl)-N-(6-d…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 0.73 3.99 -24.5 2 8 0 115 373.438 7 ↓
    Lo Low (pH 4.5-6) 0.73 4.27 -51.86 3 8 1 116 374.446 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(2-dimethylamino-2-oxo-ethoxy)-N-(6-dimethylamino-3-pyridyl)benzamide 2-(2-dimethylamino-2-oxo-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) 1.67 8.15 -26.98 1 7 0 75 342.399 6 ↓
    Lo Low (pH 4.5-6) 1.67 8.43 -47.62 2 7 1 76 343.407 6 ↓

    Analogs

    36882819
    36882819

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3,4-difluoro-N-(3-pyridinyl)benzamide 3,4-difluoro-N-(3-pyridinyl)benz…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    C11B1-1-E Cytochrome P450 11B1 (cluster #1 Of 2), Eukaryotic Eukaryotes 5920 0.43 Binding ≤ 10μM
    C11B2-1-E Cytochrome P450 11B2 (cluster #1 Of 2), Eukaryotic Eukaryotes 54 0.60 Binding ≤ 10μM
    ChEMBL Target Annotations
    Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
    C11B2_HUMAN P19099 Cytochrome P450 11B2, Human 53.5 0.60 Binding ≤ 1μM
    C11B1_HUMAN P15538 Cytochrome P450 11B1, Human 5920 0.43 Binding ≤ 10μM
    C11B2_HUMAN P19099 Cytochrome P450 11B2, Human 53.5 0.60 Binding ≤ 10μM

    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) 2.01 4.85 -13.48 1 3 0 42 234.205 2 ↓

    Analogs

    36882819
    36882819

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2,5-difluoro-N-(3-pyridyl)benzamide 2,5-difluoro-N-(3-pyridyl)benzamide

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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) 2.01 4.87 -11.95 1 3 0 42 234.205 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-chloro-4-ethoxy-5-methoxy-N-(3-pyridyl)benzamide 3-chloro-4-ethoxy-5-methoxy-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) 2.58 5.55 -9.31 1 5 0 60 306.749 5 ↓
    Lo Low (pH 4.5-6) 2.58 5.84 -41.19 2 5 1 62 307.757 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-fluoro-4-methoxy-N-(3-pyridyl)benzamide 3-fluoro-4-methoxy-N-(3-pyridyl)…

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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) 1.91 4.13 -12.99 1 4 0 51 246.241 3 ↓
    Lo Low (pH 4.5-6) 1.91 4.42 -45.04 2 4 1 52 247.249 3 ↓

    Analogs

    31537148
    31537148

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-methoxy-4-methyl-N-(3-pyridyl)benzamide 3-methoxy-4-methyl-N-(3-pyridyl)…

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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) 2.19 4.78 -10.2 1 4 0 51 242.278 3 ↓
    Lo Low (pH 4.5-6) 2.19 5.07 -40.58 2 4 1 52 243.286 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(2-aminoethyl)-N-(3-pyridyl)benzamide 3-(2-aminoethyl)-N-(3-pyridyl)be…

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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) 0.72 3.56 -51.26 4 4 1 70 242.302 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(2-aminoethyl)-N-(6-methoxy-3-pyridyl)benzamide 3-(2-aminoethyl)-N-(6-methoxy-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) 1.12 2.01 -51.81 4 5 1 79 272.328 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-amino-4-nitro-N-(3-pyridyl)benzamide 3-amino-4-nitro-N-(3-pyridyl)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) 1.13 3.52 -11.24 3 7 0 114 258.237 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(methylamino)-4-nitro-N-(3-pyridyl)benzamide 3-(methylamino)-4-nitro-N-(3-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) 1.50 4.47 -11.23 2 7 0 100 272.264 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(ethylamino)-4-nitro-N-(3-pyridyl)benzamide 3-(ethylamino)-4-nitro-N-(3-pyri…

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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) 1.88 5.28 -10.97 2 7 0 100 286.291 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-amino-N-(6-methoxy-3-pyridyl)-4-nitro-benzamide 3-amino-N-(6-methoxy-3-pyridyl)-…

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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) 1.52 1.97 -12.06 3 8 0 123 288.263 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-hydrazino-4-nitro-N-(3-pyridyl)benzamide 3-hydrazino-4-nitro-N-(3-pyridyl…

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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) 0.89 3.23 -11.7 4 8 0 126 273.252 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-fluoro-4-nitro-N-(3-pyridyl)benzamide 3-fluoro-4-nitro-N-(3-pyridyl)be…

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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) 1.81 5.48 -14.48 1 6 0 88 261.212 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-fluoro-N-(6-methoxy-3-pyridyl)-4-nitro-benzamide 3-fluoro-N-(6-methoxy-3-pyridyl)…

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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) 2.21 3.94 -15.53 1 7 0 97 291.238 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-chloro-3-pyridyl)-3-fluoro-4-nitro-benzamide N-(2-chloro-3-pyridyl)-3-fluoro-…

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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) 2.61 6.03 -12.02 1 6 0 88 295.657 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-fluoro-N-(2-methoxy-3-pyridyl)-4-nitro-benzamide 3-fluoro-N-(2-methoxy-3-pyridyl)…

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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) 1.99 4.1 -12.51 1 7 0 97 291.238 4 ↓

    Analogs

    39868657
    39868657
    39868734
    39868734

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-butoxy-3,5-dichloro-N-(3-pyridyl)benzamide 4-butoxy-3,5-dichloro-N-(3-pyrid…

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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) 4.46 7.82 -7.92 1 4 0 51 339.222 6 ↓
    Lo Low (pH 4.5-6) 4.46 8.11 -40.48 2 4 1 52 340.23 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[[(2S)-2-isopentyloxypropanoyl]amino]-N-(3-pyridyl)benzamide 4-[[(2S)-2-isopentyloxypropanoyl…

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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) 2.94 7.49 -19.22 2 6 0 80 355.438 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[[(2R)-2-isopentyloxypropanoyl]amino]-N-(3-pyridyl)benzamide 4-[[(2R)-2-isopentyloxypropanoyl…

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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) 2.94 7.51 -19.15 2 6 0 80 355.438 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-amino-5-fluoro-N-(4-methoxy-3-pyridyl)-3-nitro-benzamide 2-amino-5-fluoro-N-(4-methoxy-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) 1.20 3.32 -9.98 3 8 0 123 306.253 4 ↓
    Lo Low (pH 4.5-6) 1.20 3.77 -39.59 4 8 1 124 307.261 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(dimethylamino)-3-fluoro-N-(6-methylsulfonyl-3-pyridyl)benzamide 4-(dimethylamino)-3-fluoro-N-(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) 1.76 3.06 -16.89 1 6 0 79 337.376 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[ethyl(methyl)amino]-N-(3-pyridyl)benzamide 4-[ethyl(methyl)amino]-N-(3-pyri…

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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 6.12 -9.84 1 4 0 45 255.321 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-cyano-5-fluoro-N-(3-pyridyl)benzamide 3-cyano-5-fluoro-N-(3-pyridyl)be…

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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) 1.60 5.2 -10.82 1 4 0 66 241.225 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[(2,2-dichloroacetyl)amino]-N-(3-pyridyl)benzamide 2-[(2,2-dichloroacetyl)amino]-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) 2.07 5.35 -10.46 2 5 0 71 324.167 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-butoxy-N-(2-chloro-3-pyridyl)benzamide 4-butoxy-N-(2-chloro-3-pyridyl)b…

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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 7.14 -7.91 1 4 0 51 304.777 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-bromo-N-(2-chloro-3-pyridyl)-4-ethoxy-5-methoxy-benzamide 3-bromo-N-(2-chloro-3-pyridyl)-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) 3.52 6.24 -8.22 1 5 0 60 385.645 5 ↓

    Analogs

    37980124
    37980124

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-chloro-3-pyridyl)-3,5-dimethoxy-4-methyl-benzamide N-(2-chloro-3-pyridyl)-3,5-dimet…

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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) 2.98 4.73 -8.76 1 5 0 60 306.749 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-chloro-3-pyridyl)-2,4-dimethyl-benzamide N-(2-chloro-3-pyridyl)-2,4-dimet…

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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) 3.38 6.66 -7.08 1 3 0 42 260.724 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-chloro-3-pyridyl)-4-cyano-benzamide N-(2-chloro-3-pyridyl)-4-cyano-b…

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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) 2.31 5.69 -9.96 1 4 0 66 257.68 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-chloro-3-pyridyl)-3-(trifluoromethyl)benzamide N-(2-chloro-3-pyridyl)-3-(triflu…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.43 6.3 -9.59 1 3 0 42 300.667 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-chloro-N-(2-chloro-3-pyridyl)-4,5-difluoro-benzamide 2-chloro-N-(2-chloro-3-pyridyl)-…

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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 5.93 -6.71 1 3 0 42 303.095 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2,3-dichloro-N-(2-chloro-3-pyridyl)benzamide 2,3-dichloro-N-(2-chloro-3-pyrid…

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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 6.27 -10.07 1 3 0 42 301.56 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-acetamido-N-(6-methoxy-3-pyridyl)-4-methyl-benzamide 3-acetamido-N-(6-methoxy-3-pyrid…

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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) 1.75 3.02 -19.69 2 6 0 80 299.33 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-methanesulfonamido-4-methyl-N-(3-pyridyl)benzamide 3-methanesulfonamido-4-methyl-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) 1.37 2.23 -19.59 2 6 0 88 305.359 4 ↓
    Hi High (pH 8-9.5) 1.37 2.31 -47.55 1 6 -1 90 304.351 4 ↓
    Lo Low (pH 4.5-6) 1.37 2.51 -48.85 3 6 1 89 306.367 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-methanesulfonamido-N-(3-pyridyl)benzamide 3-methanesulfonamido-N-(3-pyridy…

    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) 0.97 1.34 -22.04 2 6 0 88 291.332 4 ↓
    Hi High (pH 8-9.5) 0.97 1.42 -50.05 1 6 -1 90 290.324 4 ↓
    Lo Low (pH 4.5-6) 0.97 1.63 -50.81 3 6 1 89 292.34 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-methanesulfonamido-2-methyl-N-(3-pyridyl)benzamide 3-methanesulfonamido-2-methyl-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) 1.34 2.25 -14.7 2 6 0 88 305.359 4 ↓
    Hi High (pH 8-9.5) 1.34 2.33 -41.62 1 6 -1 90 304.351 4 ↓
    Lo Low (pH 4.5-6) 1.34 2.54 -46.77 3 6 1 89 306.367 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-hydroxy-5-methoxy-N-(3-pyridyl)benzamide 2-hydroxy-5-methoxy-N-(3-pyridyl…

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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) 2.28 2.47 -10.5 2 5 0 71 244.25 3 ↓
    Hi High (pH 8-9.5) 2.28 3.48 -51.22 1 5 -1 74 243.242 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: dimethyl 2-(5-{[4-(tert-butyl)benzoyl]amino}-2-pyridinyl)malonate dimethyl 2-(5-{[4-(tert-butyl)be…

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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) 1.95 3.13 -13.93 1 7 0 94 384.432 8 ↓
    Lo Low (pH 4.5-6) 1.95 3.21 -44.79 2 7 1 95 385.44 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-chloro-5-(dimethylsulfamoyl)-N-(3-pyridyl)benzamide 2-chloro-5-(dimethylsulfamoyl)-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) 1.68 3.22 -13.44 1 6 0 79 339.804 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-methoxy-3-methyl-N-(3-pyridyl)benzamide 2-methoxy-3-methyl-N-(3-pyridyl)…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.71 5.88 -11.08 1 4 0 51 242.278 3 ↓
    Lo Low (pH 4.5-6) 2.71 6.17 -40.04 2 4 1 52 243.286 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2,3,5,6-tetrafluoro-4-methoxy-N-(3-pyridyl)benzamide 2,3,5,6-tetrafluoro-4-methoxy-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) 2.18 4.24 -7.79 1 4 0 51 300.211 3 ↓
    Lo Low (pH 4.5-6) 2.18 4.53 -38.69 2 4 1 52 301.219 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-chloro-3-pyridyl)-4-ethoxy-3-nitro-benzamide N-(2-chloro-3-pyridyl)-4-ethoxy-…

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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) 2.88 0.57 -15.73 1 7 0 97 321.72 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(difluoromethylsulfonyl)-N-(6-methoxy-3-pyridyl)-benzamide 4-(difluoromethylsulfonyl)-N-(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) 1.58 1.13 -14.99 1 6 0 85 342.323 5 ↓

    Parameters Provided:

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    Structural Results Found: (before additional filtering)

    SQL Query Was

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    //zinc12.docking.org/results/combination?ring.id=4992&filter.purchasability=annotated

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