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    • Cart Contents | ZINC Is Not Commercial - A database of commercially-available compounds
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    Default (Public by FlorentC) Default Purchasability Report

    ZINC Item Suppliers, Protomers, & Similar Substances

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[3-[(1-ethylpyrazol-4-yl)methyl-methyl-carbamoyl]pyrazol-1-yl]propanoic 3-[3-[(1-ethylpyrazol-4-yl)methy…

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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) -0.27 6.06 -48.94 0 8 -1 96 304.33 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[(4aR,7aS)-4-benzyl-3-oxo-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-4-oxo-butanoic 4-[(4aR,7aS)-4-benzyl-3-oxo-4a,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) -0.12 6.66 -49.87 0 7 -1 90 331.348 5 ↓
    Lo Low (pH 4.5-6) -0.12 4.68 -14.87 1 7 0 87 332.356 5 ↓

    Analogs

    12418882
    12418882

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4-Allyloxy-3-bromo-5-methoxy-benzyl)-(2H-tetrazol-5-yl)-amine (4-Allyloxy-3-bromo-5-methoxy-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) 2.05 5.77 -38.59 1 7 -1 83 339.173 7 ↓
    Mid Mid (pH 6-8) 2.05 5.78 -12 2 7 0 85 340.181 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-[4-[ethyl-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]carbamoyl]pyrazol-1-yl]propanoic (2S)-2-[4-[ethyl-[(1-ethyl-3,5-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) -0.14 6.79 -50.66 0 8 -1 96 346.411 7 ↓

    Analogs

    23379476
    23379476
    23379477
    23379477
    23379478
    23379478
    23379479
    23379479

    Draw Identity 99% 90% 80% 70%

    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) 2.31 8.1 -51.69 0 5 -1 64 341.431 4 ↓
    Lo Low (pH 4.5-6) 2.31 9.23 -42.57 2 5 1 62 343.447 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[5-[(2,4-dimethylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-[(2,4-dimethylphenoxy)meth…

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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 10.17 -48.25 0 6 -1 80 320.394 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[2-[(3R)-3-(methylcarbamoyl)-1-piperidyl]pyrimidin-4-yl]pyridine-4-carboxylic 2-[2-[(3R)-3-(methylcarbamoyl)-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) 1.24 7.94 -53.71 1 8 -1 111 340.363 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[3-[[methyl(p-tolylsulfonyl)amino]methyl]-1,2,4-oxadiazol-5-yl]propanoic 3-[3-[[methyl(p-tolylsulfonyl)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) 0.89 4.08 -43.58 0 8 -1 116 338.365 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-[[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoic (2S)-2-[[5-(3,4-dihydro-2H-1,5-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) 1.88 8.7 -47.62 0 7 -1 89 334.377 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [4-(6-Methoxymethyl-2-phenyl-pyrimidin-4-yl)-piperazin-1-yl]-acetic acid [4-(6-Methoxymethyl-2-phenyl-pyr…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 0.99 9.8 -34.71 1 7 0 83 342.399 6 ↓
    Mid Mid (pH 6-8) 0.99 7.63 -47.02 0 7 -1 82 341.391 6 ↓

    Analogs

    2384269
    2384269

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-3,6-dihydro-2H-pyridine-3-carboxylic (3R)-1-(9H-fluoren-9-ylmethoxyca…

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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) 3.05 11.92 -50.61 0 5 -1 70 348.378 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-9-azaspiro[5.5]undecan-3-amine N-[2-(1-ethylbenzimidazol-2-yl)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) 2.78 9.74 -106.89 4 4 2 51 342.531 5 ↓
    Lo Low (pH 4.5-6) 2.78 10.03 -173.2 5 4 3 52 343.539 5 ↓

    Analogs

    34558987
    34558987
    34569996
    34569996
    34569997
    34569997

    Draw Identity 99% 90% 80% 70%

    Popular Name: Loratadine Loratadine

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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) 4.58 12.09 -8.52 0 4 0 42 382.891 2 ↓
    Lo Low (pH 4.5-6) 4.58 12.29 -40.63 1 4 1 44 383.899 2 ↓

    Analogs

    173132
    173132

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[(4-methoxyphenyl)sulfinyl]benzoic acid 2-[(4-methoxyphenyl)sulfinyl]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) 2.92 -1.22 -43.47 0 4 -1 66 275.305 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[6-(dimethylcarbamoyl)pyrazin-2-yl]-4-pyrazol-1-yl-piperidine-4-carboxylic 1-[6-(dimethylcarbamoyl)pyrazin-…

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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) -0.08 6.58 -46.75 0 9 -1 107 343.367 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-[4-[3-(3,5-dimethylpyrazol-1-yl)phenyl]pyrazol-1-yl]propanoic (2S)-2-[4-[3-(3,5-dimethylpyrazo…

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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 9.23 -45.57 0 6 -1 76 309.349 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-[4-[3-(3,5-dimethylpyrazol-1-yl)phenyl]pyrazol-1-yl]propanoic (2R)-2-[4-[3-(3,5-dimethylpyrazo…

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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 9.23 -45.02 0 6 -1 76 309.349 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-methyl-2-[(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methylsulfanyl]-1H-pyrimidin-6-one 4-methyl-2-[(5-methylsulfanyl-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) 3.25 6.8 -50.3 0 6 -1 80 344.445 5 ↓
    Mid Mid (pH 6-8) 2.79 8.79 -13.37 1 6 0 76 345.453 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-[[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]propanoic (2R)-2-[[5-(3,4-dihydro-2H-1,5-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) 2.26 9.52 -50.3 0 7 -1 89 348.404 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-1-(4-phenoxyphenyl)sulfonylpyrrolidine-2-carboxylic (2S)-1-(4-phenoxyphenyl)sulfonyl…

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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) 1.18 6.96 -48.2 0 6 -1 87 346.384 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1S,4R,7S,8S)-7-[(3,4-dimethoxyphenyl)carbamoyl]bicyclo[2.2.2]oct-5-ene-8-carboxylic (1S,4R,7S,8S)-7-[(3,4-dimethoxyp…

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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) 1.30 7.1 -42.83 1 6 -1 88 330.36 5 ↓
    Lo Low (pH 4.5-6) 1.30 5.1 -12.1 2 6 0 85 331.368 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-benzyl-3-methyl-N-(1H-tetrazol-5-yl)thieno[4,5-d]pyrazole-5-carboxamide 1-benzyl-3-methyl-N-(1H-tetrazol…

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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) 2.03 7.41 -44.32 1 8 -1 100 338.376 4 ↓
    Mid Mid (pH 6-8) 2.10 5.35 -13.98 2 8 0 105 339.384 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-[3-[(1,5-dimethylpyrazol-4-yl)methyl-methyl-carbamoyl]pyrazol-1-yl]propanoic (2R)-2-[3-[(1,5-dimethylpyrazol-…

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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) -0.33 5.67 -47.69 0 8 -1 96 304.33 5 ↓
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