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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: methyl 3-hydroxythiophene-2-carboxylate methyl 3-hydroxythiophene-2-carb…

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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) 1.38 1.85 -8.9 1 3 0 47 158.178 2 ↓
    Ref Reference (pH 7) -0.10 3.44 -10.11 0 3 0 43 158.178 2 ↓
    Mid Mid (pH 6-8) 1.38 2.73 -50.16 0 3 -1 49 157.17 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) 1.42 2.24 -15.74 3 4 0 71 213.24 3 ↓
    Ref Reference (pH 7) 1.42 2.41 -13.58 3 4 0 71 213.24 3 ↓
    Lo Low (pH 4.5-6) 0.90 1.53 -45.07 3 4 1 69 214.248 3 ↓

    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) 2.68 4.96 -6.18 1 3 0 37 200.241 3 ↓
    Ref Reference (pH 7) 2.68 4.75 -7.8 1 3 0 37 200.241 3 ↓
    Lo Low (pH 4.5-6) 2.68 5.18 -31.37 2 3 1 39 201.249 3 ↓

    Analogs

    34020
    34020

    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) 2.40 -1.13 -18.01 2 5 0 66 257.293 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) 1.54 6.16 -19.52 1 5 0 74 240.266 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) 1.71 0.72 -10.64 5 7 0 115 232.247 3 ↓
    Mid Mid (pH 6-8) 1.71 0.88 -35.36 6 7 1 116 233.255 3 ↓

    Analogs

    35251
    35251

    Draw Identity 99% 90% 80% 70%

    Popular Name: (E)-piperonylidene(3-pyridylmethyl)amine (E)-piperonylidene(3-pyridylmeth…

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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 4.43 -8.63 0 4 0 44 240.262 3 ↓
    Lo Low (pH 4.5-6) 1.83 4.71 -36.41 1 4 1 45 241.27 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-cyano-N'-[(E)-1H-indol-3-ylmethylidene]acetohydrazide 2-cyano-N'-[(E)-1H-indol-3-ylmet…

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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) 0.99 4.43 -27.57 2 5 0 81 226.239 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: hydrazinecarboxamide, 2-[(5-bromo-2-hydroxyphenyl)methylene]- hydrazinecarboxamide, 2-[(5-brom…

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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 -0.66 -8.91 4 5 0 88 258.075 2 ↓
    Hi High (pH 8-9.5) 2.07 0.1 -34.26 3 5 -1 91 257.067 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(2-thienyl)-N-(4H-1,2,4-triazol-3-yl)methanimine 1-(2-thienyl)-N-(4H-1,2,4-triazo…

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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) 1.14 4.25 -12.82 1 4 0 54 178.22 2 ↓
    Ref Reference (pH 7) 1.14 6.23 -11.88 1 4 0 54 178.22 2 ↓
    Hi High (pH 8-9.5) 1.14 5.98 -42.8 0 4 -1 52 177.212 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5E)-2-amino-5-piperonylidene-2-thiazolin-4-one (5E)-2-amino-5-piperonylidene-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) 1.53 1.73 -15.37 2 5 0 74 248.263 1 ↓
    Mid Mid (pH 6-8) 1.53 1.77 -36.4 1 5 -1 72 247.255 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-chloro-N-(3-methylisoxazol-5-yl)thiophene-2-carboxamide 5-chloro-N-(3-methylisoxazol-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) 2.36 4.77 -10.48 1 4 0 55 242.687 2 ↓

    Analogs

    4826037
    4826037

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(2-furylmethylene)-1H-indene-1,3(2H)-dione 2-(2-furylmethylene)-1H-indene-1…

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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) 2.15 8.24 -10.87 0 3 0 47 224.215 1 ↓

    Analogs

    5202465
    5202465
    5075395
    5075395

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-pyrrolidin-1-ylthiochromen-4-one 3-pyrrolidin-1-ylthiochromen-4-one

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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 -1.78 -9.73 0 2 0 20 231.32 1 ↓

    Analogs

    25255258
    25255258
    12443652
    12443652

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[(5-chlorothiophen-2-yl)carbonyl]-3-methylpiperazin-2-one 4-[(5-chlorothiophen-2-yl)carbon…

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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 -3 -10.16 1 4 0 49 258.73 1 ↓

    Analogs

    12443653
    12443653
    25255258
    25255258

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[(5-chlorothiophen-2-yl)carbonyl]-3-methylpiperazin-2-one 4-[(5-chlorothiophen-2-yl)carbon…

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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 -2.6 -8.62 1 4 0 49 258.73 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: BLAHdicarbaldehyde BLAHdicarbaldehyde

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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) 2.15 0.61 -20.2 0 4 0 51 230.248 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[(1-methylbenzimidazol-2-yl)thio]acetic-acid-ethyl-ester 2-[(1-methylbenzimidazol-2-yl)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) 2.65 1.07 -8.91 0 4 0 44 250.323 5 ↓

    Analogs

    39868093
    39868093
    39868094
    39868094

    Draw Identity 99% 90% 80% 70%

    Popular Name: 7-Chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-8-carbaldehyde 7-Chloro-2,3-dihydro-[1,4]dioxin…

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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) 2.16 4.19 -14.66 0 4 0 48 249.653 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(4-cyclohexylthiazol-2-yl)propanamide N-(4-cyclohexylthiazol-2-yl)prop…

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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) 3.18 6.26 -9.57 1 3 0 42 238.356 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-methoxy-1-methyl-N-(5-methylisoxazol-3-yl)-pyrazole-4-carboxamide 3-methoxy-1-methyl-N-(5-methylis…

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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) 0.22 1.71 -16.37 1 7 0 82 236.231 3 ↓

    Analogs

    36990693
    36990693

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-oxoindolin-5-yl)thiophene-2-carboxamide N-(2-oxoindolin-5-yl)thiophene-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) 1.87 -2.53 -11.74 2 4 0 58 258.302 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(2-thienylmethyl)-2-thioxotetrahydro-4H-imidazol-4-one 3-(2-thienylmethyl)-2-thioxotetr…

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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) 1.01 4.64 -12.45 1 3 0 32 212.299 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[2-(1H-indol-3-yl)ethyl]-2-thioxoimidazolidin-4-one 3-[2-(1H-indol-3-yl)ethyl]-2-thi…

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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 -3.37 -14.37 2 4 0 48 259.334 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(6-methylsulfanylpyridazin-3-yl)furan-2-carboxamide N-(6-methylsulfanylpyridazin-3-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) 1.62 3.99 -15.72 1 5 0 68 235.268 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[2-[(4-fluorophenyl)amino]thiazol-4-yl]acetamide 2-[2-[(4-fluorophenyl)amino]thia…

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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 2.81 -13.31 3 4 0 68 251.286 4 ↓

    Analogs

    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) 0.64 1.56 -10.4 0 6 0 76 255.251 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-furylmethyl)quinoxaline-6-carboxamide N-(2-furylmethyl)quinoxaline-6-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) 1.56 3.19 -12.84 1 5 0 68 253.261 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: Acetamide, N-(5,7-dimethylthiazolo[4,5-b]pyridin-2-yl)-2-methoxy- Acetamide, N-(5,7-dimethylthiazo…

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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) 1.57 -1.6 -23.94 1 5 0 64 251.311 3 ↓
    Lo Low (pH 4.5-6) 1.57 -1.53 -34.19 2 5 1 65 252.319 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1,3-dimethyl-N-(4-methylthiazol-2-yl)pyrazole-4-carboxamide 1,3-dimethyl-N-(4-methylthiazol-…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 0.70 3.81 -12.46 1 5 0 60 236.3 2 ↓

    Analogs

    21663183
    21663183

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-methyl-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one 2-methyl-4H-pyrimido[2,1-b][1,3]…

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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) 2.51 -0.11 -11.42 0 3 0 34 216.265 0 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[5-(4-Pyridyl)-1H-1,2,4-triazol-3-yl)pyridine 2-[5-(4-Pyridyl)-1H-1,2,4-triazo…

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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) 1.19 4.58 -12.29 1 5 0 67 223.239 2 ↓
    Hi High (pH 8-9.5) 1.19 4.44 -47.09 0 5 -1 66 222.231 2 ↓
    Mid Mid (pH 6-8) 1.19 4.43 -47.07 0 5 -1 66 222.231 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[(5-methylisoxazol-3-yl)amino]-2-oxoethyl 2-furoate 2-[(5-methylisoxazol-3-yl)amino]…

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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) 0.66 4.91 -13.59 1 7 0 95 250.21 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 6-Quinoxalinecarboxamide, N-2-thiazolyl- (9CI) 6-Quinoxalinecarboxamide, N-2-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) 1.66 3.49 -18.39 1 5 0 68 256.29 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 7-methyl-N-(6-methyl-2-pyridyl)-3,5,7,8,9-pentazabicyclo[4.3.0]nona-2,4,8,10-tetraen-2-amine 7-methyl-N-(6-methyl-2-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) 1.02 6.26 -9.84 1 7 0 81 241.258 2 ↓
    Lo Low (pH 4.5-6) 1.02 6.54 -30.53 2 7 1 83 242.266 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 7-methylsulfanyl-4-(2-thienyl)-5,6,8,9-tetrazabicyclo[4.3.0]nona-2,4,7,9-tetraene 7-methylsulfanyl-4-(2-thienyl)-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) 2.63 6.93 -11.76 0 4 0 43 248.336 2 ↓

    Analogs

    4505023
    4505023
    41666213
    41666213
    41666219
    41666219

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(1,1-dioxothiolan-3-yl)pyridine-4-carboxamide N-(1,1-dioxothiolan-3-yl)pyridin…

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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) -0.64 -0.04 -17.08 1 5 0 76 240.284 2 ↓

    Analogs

    41666213
    41666213
    41666219
    41666219
    4505021
    4505021

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(1,1-dioxothiolan-3-yl)pyridine-4-carboxamide N-(1,1-dioxothiolan-3-yl)pyridin…

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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) -0.64 -0.05 -17.13 1 5 0 76 240.284 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: ethylBLAH ethylBLAH

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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) 2.77 0.76 -12.51 0 4 0 43 258.35 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-furylmethyl)-N'-(4-pyridyl)oxamide N-(2-furylmethyl)-N'-(4-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) -0.41 1.26 -8.3 2 6 0 84 245.238 4 ↓
    Lo Low (pH 4.5-6) -0.41 1.54 -37.25 3 6 1 85 246.246 4 ↓

    Analogs

    36886067
    36886067

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(5-phenylisoxazol-3-yl)methyl]cyclopropanecarboxamide N-[(5-phenylisoxazol-3-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) 2.33 -0.1 -8.98 1 4 0 55 242.278 4 ↓

    Analogs

    42779438
    42779438

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-chloro-N-(2-hydroxyethyl)benzofuran-2-carboxamide 5-chloro-N-(2-hydroxyethyl)benzo…

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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) 1.72 1.2 -8.11 2 4 0 62 239.658 3 ↓

    Analogs

    10220520
    10220520

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(1,4-dioxaspiro[4.4]non-3-ylmethyl)furan-2-carboxamide N-(1,4-dioxaspiro[4.4]non-3-ylme…

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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) 1.66 -2.43 -8.69 1 5 0 60 251.282 3 ↓

    Analogs

    10220519
    10220519

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(1,4-dioxaspiro[4.4]non-3-ylmethyl)furan-2-carboxamide N-(1,4-dioxaspiro[4.4]non-3-ylme…

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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) 1.66 -2.38 -8.52 1 5 0 60 251.282 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N'-cyclopropyl-N-(4-pyridyl)oxamide N'-cyclopropyl-N-(4-pyridyl)oxamide

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) -0.70 0.99 -6.91 2 5 0 71 205.217 3 ↓
    Lo Low (pH 4.5-6) -0.70 1.27 -35.8 3 5 1 72 206.225 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2,5-dimethylpyrazol-3-yl)-3-methyl-isoxazole-5-carboxamide N-(2,5-dimethylpyrazol-3-yl)-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) 0.57 3.78 -9.24 1 6 0 73 220.232 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-amino-4-methyl-1,3-thiazole-5-carbohydrazide 2-amino-4-methyl-1,3-thiazole-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) -0.68 -1.77 -10.58 5 5 0 94 172.213 1 ↓

    Analogs

    36182309
    36182309

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1,4-Benzodioxan-6-yl methyl ketone 1,4-Benzodioxan-6-yl methyl ketone

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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) 1.34 4.03 -7.52 0 3 0 36 178.187 1 ↓

    Analogs

    5900376
    5900376
    37104309
    37104309

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(1H-pyrrol-1-yl)aniline 3-(1H-pyrrol-1-yl)aniline

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.46 5.15 -4.88 2 2 0 31 158.204 1 ↓

    Analogs

    6251342
    6251342

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-((4-methylphenyl)methyl)maleimide N-((4-methylphenyl)methyl)maleimide

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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 6.14 -8.13 0 3 0 39 201.225 2 ↓

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