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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 5.03 -9.6 1 3 0 42 246.335 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: cyanomethyl cyanomethyl

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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) 3.78 2.5 -8.29 0 4 0 62 286.356 5 ↓

    Analogs

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    Popular Name: sec-butylcarbamoylmethyl sec-butylcarbamoylmethyl

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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 0.45 -11.2 1 5 0 68 360.479 8 ↓

    Analogs

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    Popular Name: sec-butylcarbamoylmethyl sec-butylcarbamoylmethyl

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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 0.45 -11.19 1 5 0 68 360.479 8 ↓

    Analogs

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    Popular Name: ethylcarbamoylcarbamoylmethyl ethylcarbamoylcarbamoylmethyl

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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 -1.69 -20.42 2 7 0 97 375.45 7 ↓

    Analogs

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    Popular Name: dimethylcarbamoylmethyl dimethylcarbamoylmethyl

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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) 2.90 1.31 -11.81 0 5 0 59 332.425 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2,2,2-trifluoroethylcarbamoylmethyl 2,2,2-trifluoroethylcarbamoylmethyl

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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) 4.03 1.47 -10.42 1 5 0 68 386.395 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-allyl-2-[2-(2-chlorophenyl)thiazol-4-yl]-acetamide N-allyl-2-[2-(2-chlorophenyl)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) 3.59 -1.24 -13.52 1 3 0 41 292.791 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-allyl-2-(p-tolyl)thiazole-4-carboxamide N-allyl-2-(p-tolyl)thiazole-4-ca…

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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) 3.31 -1.2 -6.91 1 3 0 41 258.346 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-allyl-2-(4-methoxyphenyl)-thiazole-4-carboxamide N-allyl-2-(4-methoxyphenyl)-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) 2.92 -1.49 -7.71 1 4 0 51 274.345 5 ↓

    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) 2.92 9.82 -42.92 1 4 1 44 305.423 8 ↓
    Mid Mid (pH 6-8) 2.92 7.48 -10.27 0 4 0 42 304.415 8 ↓

    Analogs

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    Popular Name: N-[(1S)-2-hydroxy-1-methyl-ethyl]-N'-(4-thiazol-2-ylphenyl)oxamide N-[(1S)-2-hydroxy-1-methyl-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) 0.77 0.42 -10.16 3 6 0 91 305.359 5 ↓
    Hi High (pH 8-9.5) 0.96 -0.4 -49.54 2 6 -1 98 304.351 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[[2-(2-fluorophenyl)-4-methyl-thiazole-5-carbonyl]amino]propanoic 3-[[2-(2-fluorophenyl)-4-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) 2.07 4.91 -52.53 1 5 -1 82 307.326 5 ↓

    Analogs

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    Popular Name: (2S)-2-[[2-(2,6-dichlorophenyl)-4-methyl-thiazole-5-carbonyl]amino]-4-methyl-pentanoic (2S)-2-[[2-(2,6-dichlorophenyl)-…

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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 8.62 -59.3 1 5 -1 82 400.307 6 ↓

    Analogs

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    Popular Name: N-[[4-[4-(chloromethyl)thiazol-2-yl]phenyl]methyl]-3-methoxy-N-methyl-propan-1-amine N-[[4-[4-(chloromethyl)thiazol-2…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.66 9.01 -45.77 1 3 1 27 325.885 8 ↓
    Hi High (pH 8-9.5) 3.66 6.66 -7.21 0 3 0 25 324.877 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[[2-[4-(chloromethyl)thiazol-2-yl]phenyl]methyl]-3-methoxy-N-methyl-propan-1-amine N-[[2-[4-(chloromethyl)thiazol-2…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.61 8.68 -40.32 1 3 1 27 325.885 8 ↓
    Mid Mid (pH 6-8) 3.61 6.94 -7.58 0 3 0 25 324.877 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[[3-[4-(chloromethyl)thiazol-2-yl]phenyl]methyl]-3-methoxy-N-methyl-propan-1-amine N-[[3-[4-(chloromethyl)thiazol-2…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.64 8.99 -45.53 1 3 1 27 325.885 8 ↓
    Hi High (pH 8-9.5) 3.64 6.66 -7.44 0 3 0 25 324.877 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[2-[2-(2,4-dichlorophenyl)thiazol-4-yl]acetyl]amino]-N-prop-2-ynyl-acetamide 2-[[2-[2-(2,4-dichlorophenyl)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) 3.36 5.14 -12.57 2 5 0 71 382.272 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(4-nitrophenyl)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]thiazole-4-carboxamide 2-(4-nitrophenyl)-N-[2-oxo-2-(pr…

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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) 1.94 4.11 -13.64 2 8 0 117 344.352 6 ↓

    Analogs

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    Popular Name: 2-(2-chlorophenyl)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]thiazole-5-carboxamide 2-(2-chlorophenyl)-N-[2-oxo-2-(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) 2.62 4.42 -12.46 2 5 0 71 333.8 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(3-chlorophenyl)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]thiazole-4-carboxamide 2-(3-chlorophenyl)-N-[2-oxo-2-(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) 2.64 3.91 -10.03 2 5 0 71 333.8 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[[2-(2-chlorophenyl)thiazole-5-carbonyl]amino]-3-propyl-thiourea 1-[[2-(2-chlorophenyl)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) 3.68 7.3 -17.05 3 5 0 66 354.888 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[[2-(4-nitrophenyl)thiazole-4-carbonyl]amino]-3-propyl-thiourea 1-[[2-(4-nitrophenyl)thiazole-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) 3.01 6.97 -16.96 3 8 0 112 365.44 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[[2-(3-nitrophenyl)thiazole-4-carbonyl]amino]-3-propyl-thiourea 1-[[2-(3-nitrophenyl)thiazole-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) 2.98 6.96 -17.31 3 8 0 112 365.44 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[[2-(2-chlorophenyl)thiazole-5-carbonyl]amino]-3-(3-methoxypropyl)thiourea 1-[[2-(2-chlorophenyl)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) 3.06 6.36 -17.17 3 6 0 75 384.914 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(3-methoxypropyl)-3-[[2-(4-nitrophenyl)thiazole-4-carbonyl]amino]thiourea 1-(3-methoxypropyl)-3-[[2-(4-nit…

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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) 2.38 6.04 -17.27 3 9 0 121 395.466 10 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(3-methoxypropyl)-3-[[2-(3-nitrophenyl)thiazole-4-carbonyl]amino]thiourea 1-(3-methoxypropyl)-3-[[2-(3-nit…

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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 6.03 -17.18 3 9 0 121 395.466 10 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[[2-(2-chlorophenyl)thiazole-5-carbonyl]amino]-3-isopentyl-thiourea 1-[[2-(2-chlorophenyl)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) 4.45 8.58 -16.89 3 5 0 66 382.942 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-isopentyl-3-[[2-(4-nitrophenyl)thiazole-4-carbonyl]amino]thiourea 1-isopentyl-3-[[2-(4-nitrophenyl…

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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) 3.78 8.26 -16.77 3 8 0 112 393.494 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-isopentyl-3-[[2-(3-nitrophenyl)thiazole-4-carbonyl]amino]thiourea 1-isopentyl-3-[[2-(3-nitrophenyl…

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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) 3.76 8.25 -17.19 3 8 0 112 393.494 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-allyl-3-[[2-(2-chlorophenyl)thiazole-5-carbonyl]amino]thiourea 1-allyl-3-[[2-(2-chlorophenyl)th…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.44 7.09 -16.66 3 5 0 66 352.872 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-allyl-3-[[2-(4-nitrophenyl)thiazole-4-carbonyl]amino]thiourea 1-allyl-3-[[2-(4-nitrophenyl)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) 2.77 6.76 -16.6 3 8 0 112 363.424 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-allyl-3-[[2-(3-nitrophenyl)thiazole-4-carbonyl]amino]thiourea 1-allyl-3-[[2-(3-nitrophenyl)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) 2.75 6.75 -16.92 3 8 0 112 363.424 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[[2-(2-chlorophenyl)thiazole-5-carbonyl]amino]-3-(3-ethoxypropyl)thiourea 1-[[2-(2-chlorophenyl)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) 3.43 7.33 -17.04 3 6 0 75 398.941 10 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[[2-(2-chlorophenyl)thiazole-5-carbonyl]amino]-3-(2,2,2-trifluoroethyl)urea 1-[[2-(2-chlorophenyl)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) 3.19 4.28 -13.3 3 6 0 83 378.763 5 ↓
    Hi High (pH 8-9.5) 2.81 2.64 -47.79 2 6 -1 89 377.755 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[[2-(4-nitrophenyl)thiazole-4-carbonyl]amino]-3-(2,2,2-trifluoroethyl)urea 1-[[2-(4-nitrophenyl)thiazole-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) 2.51 3.95 -13.68 3 9 0 129 389.315 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[[2-(3-nitrophenyl)thiazole-4-carbonyl]amino]-3-(2,2,2-trifluoroethyl)urea 1-[[2-(3-nitrophenyl)thiazole-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) 2.49 3.94 -13.23 3 9 0 129 389.315 6 ↓

    Analogs

    43387574
    43387574
    43389051
    43389051
    43391775
    43391775

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(3-Fluorophenyl)thiazole-4-carbaldehyde 2-(3-Fluorophenyl)thiazole-4-car…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.96 5.03 -15.7 0 2 0 30 207.229 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(3,5-dichlorophenyl)thiazole-4-carbaldehyde 2-(3,5-dichlorophenyl)thiazole-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) 4.10 5.97 -11.9 0 2 0 30 258.129 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(4-Hydroxyphenyl)thiazole-4-carbaldehyde 2-(4-Hydroxyphenyl)thiazole-4-ca…

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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) 2.34 2.11 -14.47 1 3 0 50 205.238 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(3,4-dimethoxyphenyl)thiazole-4-carbaldehyde 2-(3,4-dimethoxyphenyl)thiazole-…

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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) 2.46 4.17 -15.31 0 4 0 48 249.291 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: Ethyl 2-(3-bromophenyl)thiazole-4-carboxylate Ethyl 2-(3-bromophenyl)thiazole-…

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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) 4.02 7.44 -7.08 0 3 0 39 312.188 4 ↓

    Analogs

    34613528
    34613528
    32130451
    32130451

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(3-Bromophenyl)-1,3-thiazole-4-carboxylic acid 2-(3-Bromophenyl)-1,3-thiazole-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) 3.38 6.45 -56.17 0 3 -1 53 283.126 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-propylsulfanyl-N-(4-thiazol-2-ylphenyl)acetamide 2-propylsulfanyl-N-(4-thiazol-2-…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.37 7.24 -13.57 1 3 0 42 292.429 6 ↓

    Analogs

    36805169
    36805169
    36805170
    36805170
    36805180
    36805180

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-methoxy-N-(4-thiazol-2-ylphenyl)propanamide (2S)-2-methoxy-N-(4-thiazol-2-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) 2.31 5.11 -14.56 1 4 0 51 262.334 4 ↓

    Analogs

    36805169
    36805169
    36805170
    36805170
    36805180
    36805180

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-methoxy-N-(4-thiazol-2-ylphenyl)propanamide (2R)-2-methoxy-N-(4-thiazol-2-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) 2.31 5.12 -14.47 1 4 0 51 262.334 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(5-chloro-2-fluoro-phenyl)-4-(chloromethyl)thiazole 2-(5-chloro-2-fluoro-phenyl)-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) 4.37 7.11 -6 0 1 0 13 262.136 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(5-chloro-2-fluoro-phenyl)thiazole-4-carboxylic 2-(5-chloro-2-fluoro-phenyl)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) 3.37 6.32 -54.02 0 3 -1 53 256.665 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[2-(5-chloro-2-fluoro-phenyl)thiazol-4-yl]acetic 2-[2-(5-chloro-2-fluoro-phenyl)t…

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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) 3.22 7.37 -52.63 0 3 -1 53 270.692 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(5-chloro-2-fluoro-phenyl)thiazole-4-carbaldehyde 2-(5-chloro-2-fluoro-phenyl)thia…

    Find On: PubMed — Wikipedia — Google

    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) 3.59 5.44 -12.79 0 2 0 30 241.674 2 ↓

    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=4410&filter.purchasability=annotated

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