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    • Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
    UCSF
    ZINC Item Suppliers, Protomers, & Similar Substances

    Analogs

    9235827
    9235827

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[4-(1-adamantyl)phenyl]-2-[[5-(3-isopropoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl]acetamide N-[4-(1-adamantyl)phenyl]-2-[[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) 6.91 13.93 -11.7 2 6 0 80 502.684 8 ↓
    Hi High (pH 8-9.5) 6.91 13.73 -47.01 1 6 -1 78 501.676 8 ↓

    Analogs

    9263908
    9263908

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(1-adamantyl)-2-[[4-isopropyl-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide N-(1-adamantyl)-2-[[4-isopropyl-…

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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) 5.27 12.12 -13.49 1 6 0 69 454.64 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [2-(1-adamantyl)-2-oxo-ethyl] [2-(1-adamantyl)-2-oxo-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) 4.86 13.75 -13.93 0 5 0 61 398.89 6 ↓

    Analogs

    4736343
    4736343
    9289996
    9289996
    4736346
    4736346

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(1-adamantyl)-2-[[4-ethyl-5-(3-isopropoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide N-(1-adamantyl)-2-[[4-ethyl-5-(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) 5.67 12.49 -14.44 1 6 0 69 454.64 8 ↓

    Analogs

    34987125
    34987125

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-adamantyl)BLAHcarboxamide N-(2-adamantyl)BLAHcarboxamide

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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) 6.17 -2.43 -8.6 1 2 0 29 367.539 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[4-(bromomethyl)phenyl]adamantane 1-[4-(bromomethyl)phenyl]adamantane

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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) 5.55 11.19 -1.76 0 0 0 0 305.259 2 ↓

    Analogs

    51726167
    51726167

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-adamantyl-(5-methyl-2-furyl)methanone 1-adamantyl-(5-methyl-2-furyl)me…

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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) 3.88 8.85 -5.68 0 2 0 30 244.334 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(1-adamantyl)-2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone 1-(1-adamantyl)-2-[[5-(3,4-dimet…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 5.46 -1.18 -7.81 0 4 0 55 382.529 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [2-(1-adamantyl)-2-oxo-ethyl] [2-(1-adamantyl)-2-oxo-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) 4.36 3.33 -14.41 0 6 0 89 369.417 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-adamantylcarbamoylcarbamoylmethyl 1-adamantylcarbamoylcarbamoylmethyl

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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 -0.63 -20.42 2 9 0 130 415.446 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [2-(1-adamantyl)-2-oxo-ethyl] [2-(1-adamantyl)-2-oxo-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) 4.26 3.61 -11.89 0 6 0 71 414.498 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(1-adamantylcarbamoyl)-2-[(1-oxido-2-pyridyl)sulfanyl]acetamide N-(1-adamantylcarbamoyl)-2-[(1-o…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.90 7.47 -49.08 2 6 0 84 361.467 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-adamantyl-(2,5-dimethyl-3-furyl)methanone 1-adamantyl-(2,5-dimethyl-3-fury…

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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 9.25 -5.75 0 2 0 30 258.361 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-adamantylcarbamoylmethyl 1-adamantylcarbamoylmethyl

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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) 4.63 0.59 -9.45 1 4 0 55 341.451 5 ↓

    Analogs

    39589044
    39589044

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-adamantylcarbamoylcarbamoylmethyl 1-adamantylcarbamoylcarbamoylmethyl

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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 -0.33 -20.63 2 6 0 84 388.439 6 ↓

    Analogs

    28280382
    28280382
    28280385
    28280385
    28280387
    28280387
    28280390
    28280390
    3425244
    3425244

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(1-adamantyl)ethylcarbamoylmethyl 1-(1-adamantyl)ethylcarbamoylmethyl

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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) 4.47 2.13 -11.07 1 4 0 55 373.468 7 ↓

    Analogs

    28280382
    28280382
    28280385
    28280385
    28280387
    28280387
    28280390
    28280390
    3425244
    3425244

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(1-adamantyl)ethylcarbamoylmethyl 1-(1-adamantyl)ethylcarbamoylmethyl

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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) 4.47 2.13 -11.14 1 4 0 55 373.468 7 ↓

    Analogs

    3425415
    3425415

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-adamantylcarbamoylmethyl 1-adamantylcarbamoylmethyl

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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 1 -11.48 1 4 0 55 345.414 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4-cyanophenyl)carbamoylmethyl (4-cyanophenyl)carbamoylmethyl

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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) 3.67 2.25 -11.8 1 5 0 79 338.407 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [2-(5-chloro-2-thienyl)-2-oxo-ethyl] [2-(5-chloro-2-thienyl)-2-oxo-et…

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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) 4.92 1.37 -5.61 0 3 0 43 352.883 6 ↓

    Analogs

    34527447
    34527447
    5722357
    5722357

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(1-adamantyl)-3-methyl-2,5-dioxo-octanamide N-(1-adamantyl)-3-methyl-2,5-dio…

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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) 3.14 0 -6.79 1 4 0 63 319.445 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(1-adamantylamino)-1-indolin-1-yl-ethanone 2-(1-adamantylamino)-1-indolin-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) 4.06 -0.97 -38.48 2 3 1 36 311.449 3 ↓

    Analogs

    6783381
    6783381

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(1-adamantyl)-1-hexyl-2-hydroxy-4-oxo-quinoline-3-carboxamide N-(1-adamantyl)-1-hexyl-2-hydrox…

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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) 5.34 10.66 -60.41 1 5 -1 74 421.561 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(1-adamantylcarbamoyl-butyl-amino)-N-isoxazol-3-yl-acetamide 2-(1-adamantylcarbamoyl-butyl-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) 4.69 -0.4 -14.01 2 7 0 87 374.485 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: ethyl 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) 2.18 -2.06 -8.99 2 6 0 84 336.432 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[1-(1-adamantyl)ethyl]-1-(4,4,4-trifluoro-3-oxo-but-1-enyl)-piperidine-4-carboxamide N-[1-(1-adamantyl)ethyl]-1-(4,4,…

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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) 3.76 1.98 -13.57 1 4 0 49 412.496 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[1-(1-adamantyl)ethyl]-1-(4,4,4-trifluoro-3-oxo-but-1-enyl)-piperidine-4-carboxamide N-[1-(1-adamantyl)ethyl]-1-(4,4,…

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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) 3.76 1.96 -13.34 1 4 0 49 412.496 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-adamantylmethyl 1-adamantylmethyl

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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) 4.36 -1.96 -9.27 0 5 0 63 377.506 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[1-adamantyl-[(3-methoxyphenyl)methyl]amino]-3-(2-methylphenoxy)-propan-2-ol 1-[1-adamantyl-[(3-methoxyphenyl…

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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) 6.13 0.32 -42.31 2 4 1 43 436.616 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[1-adamantyl-[(3-methoxyphenyl)methyl]amino]-3-(2-methylphenoxy)-propan-2-ol 1-[1-adamantyl-[(3-methoxyphenyl…

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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) 6.13 -0.25 -42.67 2 4 1 43 436.616 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(1-adamantyl)-2-(2-cyanophenoxy)-N-ethyl-acetamide N-(1-adamantyl)-2-(2-cyanophenox…

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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) 4.35 2.62 -18.83 0 4 0 53 338.451 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(1-adamantyl)-2-(3,4-dimethoxyphenyl)-N-ethyl-acetamide N-(1-adamantyl)-2-(3,4-dimethoxy…

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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) 4.41 1.62 -12.16 0 4 0 38 357.494 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[2-(1-adamantyl)ethyl]-N-(4-methoxyphenyl)-benzenesulfonamide N-[2-(1-adamantyl)ethyl]-N-(4-me…

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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) 6.21 -2.09 -10.31 0 4 0 46 425.594 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(1-adamantyl)-2-(4-cyano-2-ethoxy-phenoxy)-acetamide N-(1-adamantyl)-2-(4-cyano-2-eth…

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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) 3.75 9.42 -16.07 1 5 0 71 354.45 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(1-adamantyl)-3,6-dihydrodioxine 4-(1-adamantyl)-3,6-dihydrodioxine

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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) 3.51 6.35 -3.13 0 2 0 18 220.312 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N,N-bis(6-piperidyl)piperidine-1-carboxamide N,N-bis(6-piperidyl)piperidine-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) 4.39 -1.43 -7.17 1 3 0 32 276.424 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3R)-3-[1-(1-adamantyl)vinyl]-1,4,5-trioxaspiro[5.5]undecane (3R)-3-[1-(1-adamantyl)vinyl]-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) 5.57 9.59 -3.32 0 3 0 28 318.457 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3S)-3-[1-(1-adamantyl)vinyl]-1,4,5-trioxaspiro[5.5]undecane (3S)-3-[1-(1-adamantyl)vinyl]-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) 5.57 9.58 -3.38 0 3 0 28 318.457 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) 3.35 -0.03 -42.36 1 3 1 24 289.443 2 ↓

    Analogs

    16602998
    16602998
    16603280
    16603280
    16605154
    16605154
    4933352
    4933352
    6645006
    6645006

    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) 3.23 0.16 -40.8 2 3 1 33 305.486 2 ↓

    Analogs

    22143780
    22143780

    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) 2.89 1.93 -42.23 1 3 1 24 305.486 1 ↓

    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) 2.85 -0.81 -47.97 1 4 1 33 319.469 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) 2.85 -0.72 -48.48 1 4 1 33 319.469 2 ↓

    Analogs

    43401653
    43401653
    43401655
    43401655
    43401657
    43401657
    43401659
    43401659

    Draw Identity 99% 90% 80% 70%


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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 -1.69 -7.74 2 3 0 41 298.43 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) 3.88 0.95 -44.61 1 3 1 24 343.466 2 ↓

    Analogs

    6364634
    6364634

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(1-adamantyl)-1-ethyl-2-hydroxy-4-oxo-quinoline-3-carboxamide N-(1-adamantyl)-1-ethyl-2-hydrox…

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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) 3.27 7.57 -60.42 1 5 -1 74 365.453 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(1-adamantyl)-N-methyl-2-[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-acetamide N-(1-adamantyl)-N-methyl-2-[4-(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) 6.57 0.25 -9.18 0 4 0 46 467.582 6 ↓

    Analogs

    12849199
    12849199
    12849205
    12849205

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(1-adamantyl)-3-(2-furyl)-N-methyl-5-(trifluoromethyl)-2,6,7-triazabicyclo[4.3.0]nona-7,9-diene-8- N-(1-adamantyl)-3-(2-furyl)-N-me…

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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 10.47 -11.04 1 6 0 63 448.489 4 ↓

    Analogs

    12849199
    12849199
    12849205
    12849205

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(1-adamantyl)-3-(2-furyl)-N-methyl-5-(trifluoromethyl)-2,6,7-triazabicyclo[4.3.0]nona-7,9-diene-8- N-(1-adamantyl)-3-(2-furyl)-N-me…

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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 10.23 -12.68 1 6 0 63 448.489 4 ↓

    Analogs

    12849199
    12849199
    12849205
    12849205

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(1-adamantyl)-3-(2-furyl)-N-methyl-5-(trifluoromethyl)-2,6,7-triazabicyclo[4.3.0]nona-7,9-diene-8- N-(1-adamantyl)-3-(2-furyl)-N-me…

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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 10.23 -12.6 1 6 0 63 448.489 4 ↓

    Parameters Provided:

    ring.id = 1258
filter.purchasability = annotated
page.format = targets
page.num = 1

    Structural Results Found: (before additional filtering)

    SQL Query Was

    SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 1258 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?ring.id=1258&filter.purchasability=annotated

    Embed Link to Results

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