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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: 5-(2-adamantylamino)-2-chloro-benzonitrile 5-(2-adamantylamino)-2-chloro-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) 5.59 9.5 -4.97 1 2 0 36 286.806 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[3-(2-adamantylamino)phenoxy]acetonitrile 2-[3-(2-adamantylamino)phenoxy]a…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 5.05 8.71 -7.35 1 3 0 45 282.387 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(4-chloro-3-fluoro-phenyl)adamantan-2-amine N-(4-chloro-3-fluoro-phenyl)adam…

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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) 6.00 9.26 -3.09 1 1 0 12 279.786 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[4-(2-adamantylamino)phenyl]acetonitrile 2-[4-(2-adamantylamino)phenyl]ac…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 5.20 9.88 -6.67 1 2 0 36 266.388 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(2-adamantylamino)-3-bromo-benzonitrile 4-(2-adamantylamino)-3-bromo-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) 5.73 9.8 -4.42 1 2 0 36 331.257 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[4-(2-adamantylamino)phenyl]acetamide 2-[4-(2-adamantylamino)phenyl]ac…

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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) 4.14 6.19 -8.69 3 3 0 55 284.403 4 ↓

    Analogs

    43599716
    43599716

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(2-adamantylamino)-4-methyl-benzoic 3-(2-adamantylamino)-4-methyl-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) 5.52 10.05 -55.13 1 3 -1 52 284.379 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-(2-adamantylamino)-2-fluoro-benzoic 5-(2-adamantylamino)-2-fluoro-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) 4.90 9.28 -52.66 1 3 -1 52 288.342 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(2-adamantylamino)-4-fluoro-benzoic 3-(2-adamantylamino)-4-fluoro-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) 5.24 9.36 -46.6 1 3 -1 52 288.342 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(2-adamantylamino)-5-fluoro-4-methyl-benzonitrile 3-(2-adamantylamino)-5-fluoro-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) 5.46 9.91 -3.73 1 2 0 36 284.378 2 ↓

    Analogs

    19991068
    19991068
    19991079
    19991079
    4663608
    4663608

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(5-bromo-2-methyl-phenyl)adamantan-2-amine N-(5-bromo-2-methyl-phenyl)adama…

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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) 6.42 10.11 -1.92 1 1 0 12 320.274 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-ethoxy-4-fluoro-phenyl)adamantan-2-amine N-(2-ethoxy-4-fluoro-phenyl)adam…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 5.76 9.11 -2.64 1 2 0 21 289.394 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-chloro-4-iodo-phenyl)adamantan-2-amine N-(2-chloro-4-iodo-phenyl)adaman…

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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) 6.92 10.38 -1.24 1 1 0 12 387.692 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-isopropoxyphenyl)adamantan-2-amine N-(2-isopropoxyphenyl)adamantan-…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 5.98 9.66 -2.45 1 2 0 21 285.431 4 ↓
    Mid Mid (pH 6-8) 5.98 9.75 -28.29 2 2 1 26 286.439 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(2-adamantylamino)phenol 4-(2-adamantylamino)phenol

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 4.75 5.84 -3.3 2 2 0 32 243.35 2 ↓
    Lo Low (pH 4.5-6) 4.75 5.86 -37.32 3 2 1 37 244.358 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-(2-adamantylamino)-2-methoxy-phenol 5-(2-adamantylamino)-2-methoxy-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) 4.57 5.84 -5.05 2 3 0 41 273.376 3 ↓
    Lo Low (pH 4.5-6) 4.57 5.85 -39.03 3 3 1 46 274.384 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [4-(2-adamantylamino)phenyl]urea [4-(2-adamantylamino)phenyl]urea

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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 4.77 -8.86 4 4 0 67 285.391 3 ↓
    Lo Low (pH 4.5-6) 4.37 4.79 -41.49 5 4 1 72 286.399 3 ↓

    Analogs

    9635924
    9635924
    19772258
    19772258
    20546676
    20546676
    21018498
    21018498

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-Adamantyl)-N-(4-bromophenyl)amine N-(2-Adamantyl)-N-(4-bromophenyl…

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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) 6.04 -1.12 -1.63 1 1 0 12 306.247 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

    Find On: PubMed — Wikipedia — Google

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 4.42 8.12 -6.36 1 2 0 36 252.361 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

    Find On: PubMed — Wikipedia — Google

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 4.87 8.79 -6.41 1 2 0 36 266.388 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(4-fluoroanilino)adamantane-2-carbonitrile 2-(4-fluoroanilino)adamantane-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) 4.58 8.19 -7.36 1 2 0 36 270.351 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(4-chloroanilino)adamantane-2-carbonitrile 2-(4-chloroanilino)adamantane-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) 5.10 8.64 -6.59 1 2 0 36 286.806 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

    Find On: PubMed — Wikipedia — Google

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 5.23 8.74 -6.51 1 2 0 36 331.257 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(4-methoxyanilino)adamantane-2-carbonitrile 2-(4-methoxyanilino)adamantane-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) 4.48 7.41 -7.54 1 3 0 45 282.387 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(3-methylanilino)adamantane-2-carbonitrile 2-(3-methylanilino)adamantane-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) 4.85 8.79 -6.44 1 2 0 36 266.388 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(3-fluoroanilino)adamantane-2-carbonitrile 2-(3-fluoroanilino)adamantane-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) 4.56 8.19 -5.78 1 2 0 36 270.351 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(3-chloroanilino)adamantane-2-carbonitrile 2-(3-chloroanilino)adamantane-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) 5.08 8.65 -5.43 1 2 0 36 286.806 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(3-bromoanilino)adamantane-2-carbonitrile 2-(3-bromoanilino)adamantane-2-c…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 5.21 8.75 -5.4 1 2 0 36 331.257 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(3-methoxyanilino)adamantane-2-carbonitrile 2-(3-methoxyanilino)adamantane-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) 4.45 7.42 -9.47 1 3 0 45 282.387 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(2-methylanilino)adamantane-2-carbonitrile 2-(2-methylanilino)adamantane-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) 4.82 8.91 -6.42 1 2 0 36 266.388 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(2-chloroanilino)adamantane-2-carbonitrile 2-(2-chloroanilino)adamantane-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) 5.05 8.71 -4.72 1 2 0 36 286.806 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(2-bromoanilino)adamantane-2-carbonitrile 2-(2-bromoanilino)adamantane-2-c…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 5.18 8.84 -4.67 1 2 0 36 331.257 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(2-methoxyanilino)adamantane-2-carbonitrile 2-(2-methoxyanilino)adamantane-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) 4.43 7.55 -6.1 1 3 0 45 282.387 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(2-fluoroanilino)adamantane-2-carbonitrile 2-(2-fluoroanilino)adamantane-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) 4.54 8.22 -5.03 1 2 0 36 270.351 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(4-methylanilino)adamantane-2-carboxamide 2-(4-methylanilino)adamantane-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) 3.82 5.58 -6.94 3 3 0 55 284.403 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-anilinoadamantane-2-carboxamide 2-anilinoadamantane-2-carboxamide

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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 4.91 -6.82 3 3 0 55 270.376 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(2-methylanilino)adamantane-2-carboxamide 2-(2-methylanilino)adamantane-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) 3.77 5.7 -6.89 3 3 0 55 284.403 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(2-chloroanilino)adamantane-2-carboxamide 2-(2-chloroanilino)adamantane-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) 4.00 5.48 -4.66 3 3 0 55 304.821 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(3-chloroanilino)adamantane-2-carboxamide 2-(3-chloroanilino)adamantane-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) 4.02 5.42 -8.7 3 3 0 55 304.821 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(4-fluoroanilino)adamantane-2-carboxamide 2-(4-fluoroanilino)adamantane-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) 3.53 4.99 -8.06 3 3 0 55 288.366 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(3-methylanilino)adamantane-2-carboxamide 2-(3-methylanilino)adamantane-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) 3.79 5.6 -6.8 3 3 0 55 284.403 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(2-bromoanilino)adamantane-2-carboxamide 2-(2-bromoanilino)adamantane-2-c…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 4.13 5.63 -4.57 3 3 0 55 349.272 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(4-bromoanilino)adamantane-2-carboxamide 2-(4-bromoanilino)adamantane-2-c…

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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) 4.18 5.56 -7.22 3 3 0 55 349.272 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(3-bromoanilino)adamantane-2-carboxamide 2-(3-bromoanilino)adamantane-2-c…

    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) 4.15 5.52 -8.57 3 3 0 55 349.272 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(3-fluoroanilino)adamantane-2-carboxamide 2-(3-fluoroanilino)adamantane-2-…

    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) 3.51 4.97 -10.1 3 3 0 55 288.366 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(4-chloroanilino)adamantane-2-carboxamide 2-(4-chloroanilino)adamantane-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) 4.05 5.45 -7.21 3 3 0 55 304.821 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(2-fluoroanilino)adamantane-2-carboxamide 2-(2-fluoroanilino)adamantane-2-…

    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) 3.48 5 -5.05 3 3 0 55 288.366 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(4-methylanilino)adamantane-2-carboxylic 2-(4-methylanilino)adamantane-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) 2.35 9.3 -49.13 1 3 -1 52 284.379 3 ↓
    Mid Mid (pH 6-8) 2.35 9.15 -30.06 2 3 0 57 285.387 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-anilinoadamantane-2-carboxylic 2-anilinoadamantane-2-carboxylic

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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 8.62 -48.58 1 3 -1 52 270.352 3 ↓
    Mid Mid (pH 6-8) 1.90 8.49 -30.1 2 3 0 57 271.36 3 ↓

    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) 4.50 8.83 -5.55 1 3 0 38 285.387 4 ↓

    Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

    Structural Results Found: (before additional filtering)

    SQL Query Was

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    //zinc12.docking.org/results/combination?ring.id=127226&filter.purchasability=annotated

    Embed Link to Results

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