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

    Analogs

    5778508
    5778508
    17080578
    17080578

    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) 3.24 -2.75 -62.53 1 6 -1 91 393.444 4 ↓

    Analogs

    17080578
    17080578
    5778506
    5778506

    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) 3.24 -2.64 -55.04 1 6 -1 91 393.444 4 ↓

    Analogs

    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) 1.71 5.88 -61.01 1 6 -1 88 304.322 5 ↓
    Lo Low (pH 4.5-6) 1.71 3.79 -17.75 2 6 0 85 305.33 5 ↓

    Analogs

    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) 1.71 5.35 -51.9 1 6 -1 88 304.322 5 ↓
    Lo Low (pH 4.5-6) 1.71 3.31 -9.8 2 6 0 85 305.33 5 ↓

    Analogs

    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) 1.76 5.41 -58.07 1 6 -1 88 304.322 4 ↓
    Lo Low (pH 4.5-6) 1.76 3.61 -20.11 2 6 0 85 305.33 4 ↓

    Analogs

    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) 1.76 5.17 -50.96 1 6 -1 88 304.322 4 ↓
    Lo Low (pH 4.5-6) 1.76 3.15 -11.3 2 6 0 85 305.33 4 ↓

    Analogs

    17098012
    17098012
    17098013
    17098013

    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) 2.09 9.21 -58.49 1 7 -1 99 431.534 4 ↓
    Lo Low (pH 4.5-6) 2.09 6.93 -19.54 2 7 0 96 432.542 4 ↓

    Analogs

    35897641
    35897641
    17091462
    17091462
    17091463
    17091463
    17098021
    17098021
    17098022
    17098022

    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) 2.29 7.69 -58.14 2 7 -1 108 417.507 5 ↓
    Lo Low (pH 4.5-6) 2.29 5.42 -19.58 3 7 0 105 418.515 5 ↓

    Analogs

    17091462
    17091462
    17091463
    17091463
    17098021
    17098021
    17098022
    17098022

    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) 2.79 8.2 -58.12 2 7 -1 108 431.534 5 ↓
    Lo Low (pH 4.5-6) 2.79 5.92 -19.61 3 7 0 105 432.542 5 ↓

    Analogs

    17082863
    17082863
    17082864
    17082864

    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) 1.77 6.94 -66 2 7 -1 108 403.48 5 ↓
    Lo Low (pH 4.5-6) 1.77 4.66 -19.38 3 7 0 105 404.488 5 ↓

    Analogs

    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) 2.63 7.45 -58.08 1 5 -1 78 302.35 5 ↓
    Lo Low (pH 4.5-6) 2.63 5.65 -19.02 2 5 0 76 303.358 5 ↓

    Analogs

    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) 2.63 7.2 -50.14 1 5 -1 78 302.35 5 ↓
    Lo Low (pH 4.5-6) 2.63 5.19 -10.15 2 5 0 76 303.358 5 ↓

    Analogs

    35874685
    35874685
    17079259
    17079259

    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) 1.05 4.09 -58.59 0 8 -1 91 387.412 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: exo-7-oxabicyclo[2.2.1]heptan-2-amine exo-7-oxabicyclo[2.2.1]heptan-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) -0.33 0.05 -41.64 3 2 1 37 114.168 0 ↓
    Hi High (pH 8-9.5) -0.33 -0.23 -3.57 2 2 0 35 113.16 0 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 6-[2-[(1R,4S,5R)-4,6,6-trimethyl-7-oxabicyclo[2.2.1]heptan-5-yl]ethyl]naphthalene-1,4-dione 6-[2-[(1R,4S,5R)-4,6,6-trimethyl…

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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 9.65 -7.95 0 3 0 43 324.42 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 6-[2-[(1S,4R,5R)-4,6,6-trimethyl-7-oxabicyclo[2.2.1]heptan-5-yl]ethyl]naphthalene-1,4-dione 6-[2-[(1S,4R,5R)-4,6,6-trimethyl…

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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 9.5 -8.21 0 3 0 43 324.42 3 ↓

    Analogs

    33838904
    33838904

    Draw Identity 99% 90% 80% 70%

    Popular Name: (Z)-7-[(1S,4R,5R,6R)-6-[(N'-(phenylcarbamoyl)hydrazino)methyl]-7-oxabicyclo[2.2.1]heptan-5-yl]hept-5 (Z)-7-[(1S,4R,5R,6R)-6-[(N'-(phe…

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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) 3.49 7.22 -54.3 3 7 -1 103 386.472 10 ↓

    Analogs

    36190009
    36190009

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[2-[[(1S,4R,5S,6R)-5-[4-(4-cyclohexylbutylcarbamoyl)oxazol-2-yl]-7-oxabicyclo[2.2.1]heptan-6-yl]me 3-[2-[[(1S,4R,5S,6R)-5-[4-(4-cyc…

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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) 6.32 12.23 -53.45 1 7 -1 104 535.705 12 ↓
    Lo Low (pH 4.5-6) 6.32 10.29 -10.34 2 7 0 102 536.713 12 ↓

    Analogs

    36190055
    36190055

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[2-[[(1S,4R,5S,6R)-5-[4-(4-cyclohexylbutoxycarbonyl)oxazol-2-yl]-7-oxabicyclo[2.2.1]heptan-6-yl]me 3-[2-[[(1S,4R,5S,6R)-5-[4-(4-cyc…

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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) 6.32 14.09 -56.6 0 7 -1 102 508.635 13 ↓
    Lo Low (pH 4.5-6) 6.32 12.11 -10.75 1 7 0 99 509.643 13 ↓

    Analogs

    33883543
    33883543
    33883544
    33883544

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1,4-Dimethylendothall 1,4-Dimethylendothall

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 0.66 4.91 -116.06 0 5 -2 89 212.201 2 ↓
    Mid Mid (pH 6-8) 0.66 2 -55.67 1 5 -1 87 213.209 2 ↓
    Lo Low (pH 4.5-6) 0.66 2.87 -44.86 1 5 -1 87 213.209 2 ↓

    Analogs

    16953038
    16953038
    16953039
    16953039

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1R,4S,5S,6S)-6-(phenylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-5-carboxylic (1R,4S,5S,6S)-6-(phenylcarbamoyl…

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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) 1.32 5.05 -40.88 1 5 -1 78 260.269 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1R,4S,5R,6S)-6-[(4-tert-butylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-5-carboxylic (1R,4S,5R,6S)-6-[(4-tert-butylph…

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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) 3.03 7.55 -58.1 1 5 -1 78 316.377 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1R,4S,5R,6R)-6-[(4-tert-butylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-5-carboxylic (1R,4S,5R,6R)-6-[(4-tert-butylph…

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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) 3.03 7.31 -50.03 1 5 -1 78 316.377 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1R,4S,5S,6S)-6-[(4-tert-butylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-5-carboxylic (1R,4S,5S,6S)-6-[(4-tert-butylph…

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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) 3.03 7.37 -40.55 1 5 -1 78 316.377 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1R,4S,5S,6R)-6-[(4-tert-butylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-5-carboxylic (1R,4S,5S,6R)-6-[(4-tert-butylph…

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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) 3.03 7.85 -39.66 1 5 -1 78 316.377 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1R,4S,5R,6S)-6-[(2,3-dimethylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-5-carboxylic (1R,4S,5R,6S)-6-[(2,3-dimethylph…

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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) 2.13 6.85 -59.59 1 5 -1 78 288.323 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1R,4S,5R,6R)-6-[(2,3-dimethylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-5-carboxylic (1R,4S,5R,6R)-6-[(2,3-dimethylph…

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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) 2.13 6.4 -50.37 1 5 -1 78 288.323 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1R,4S,5S,6S)-6-[(2,3-dimethylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-5-carboxylic (1R,4S,5S,6S)-6-[(2,3-dimethylph…

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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) 2.13 6.45 -40.91 1 5 -1 78 288.323 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1R,4S,5S,6R)-6-[(2,3-dimethylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-5-carboxylic (1R,4S,5S,6R)-6-[(2,3-dimethylph…

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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) 2.13 6.74 -38.66 1 5 -1 78 288.323 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1R,4S,5S,6S)-6-(1-naphthylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-5-carboxylic (1R,4S,5S,6S)-6-(1-naphthylcarba…

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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) 2.48 7.42 -42.65 1 5 -1 78 310.329 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1S,2R,3S,4R)-3-[(6-hydroxy-6-oxo-hexyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic (1S,2R,3S,4R)-3-[(6-hydroxy-6-ox…

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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) 0.42 5.51 -111.48 1 7 -2 119 297.307 8 ↓
    Lo Low (pH 4.5-6) 0.42 3.29 -58.74 2 7 -1 116 298.315 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1S,2S,3S,4R)-3-[(6-hydroxy-6-oxo-hexyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic (1S,2S,3S,4R)-3-[(6-hydroxy-6-ox…

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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) 0.42 5.24 -93.48 1 7 -2 119 297.307 8 ↓
    Lo Low (pH 4.5-6) 0.42 3.25 -51.75 2 7 -1 116 298.315 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1S,2R,3R,4R)-3-[(6-hydroxy-6-oxo-hexyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic (1S,2R,3R,4R)-3-[(6-hydroxy-6-ox…

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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) 0.42 5.15 -100.01 1 7 -2 119 297.307 8 ↓
    Lo Low (pH 4.5-6) 0.42 3.12 -50.74 2 7 -1 116 298.315 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1S,2S,3R,4R)-3-[(6-hydroxy-6-oxo-hexyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic (1S,2S,3R,4R)-3-[(6-hydroxy-6-ox…

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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) 0.42 5.88 -95.27 1 7 -2 119 297.307 8 ↓
    Lo Low (pH 4.5-6) 0.42 3.91 -50.74 2 7 -1 116 298.315 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1S,2R,3S,4R)-3-(2-morpholinoethylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic (1S,2R,3S,4R)-3-(2-morpholinoeth…

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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) -0.50 0.95 -58.12 1 7 -1 91 297.331 5 ↓
    Mid Mid (pH 6-8) -0.50 3.22 -62.77 2 7 0 92 298.339 5 ↓
    Lo Low (pH 4.5-6) -0.50 1.01 -53.97 3 7 1 89 299.347 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1S,2S,3S,4R)-3-(2-morpholinoethylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic (1S,2S,3S,4R)-3-(2-morpholinoeth…

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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) -0.50 0.68 -40.25 1 7 -1 91 297.331 5 ↓
    Mid Mid (pH 6-8) -0.50 2.95 -55.15 2 7 0 92 298.339 5 ↓
    Lo Low (pH 4.5-6) -0.50 0.96 -46.87 3 7 1 89 299.347 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1S,2R,3R,4R)-3-(2-morpholinoethylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic (1S,2R,3R,4R)-3-(2-morpholinoeth…

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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) -0.50 0.59 -51.07 1 7 -1 91 297.331 5 ↓
    Mid Mid (pH 6-8) -0.50 2.86 -73.4 2 7 0 92 298.339 5 ↓
    Lo Low (pH 4.5-6) -0.50 0.83 -47.81 3 7 1 89 299.347 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1S,2S,3R,4R)-3-(2-morpholinoethylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic (1S,2S,3R,4R)-3-(2-morpholinoeth…

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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) -0.50 1.32 -39.41 1 7 -1 91 297.331 5 ↓
    Mid Mid (pH 6-8) -0.50 3.6 -42.48 2 7 0 92 298.339 5 ↓
    Lo Low (pH 4.5-6) -0.50 1.62 -45.72 3 7 1 89 299.347 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (E)-7-[(1R,4S,5R,6R)-6-[(E,3R)-3-hydroxy-4-(4-iodanylphenoxy)but-1-enyl]-7-oxabicyclo[2.2.1]heptan-5 (E)-7-[(1R,4S,5R,6R)-6-[(E,3R)-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) 4.75 11.2 -49.02 1 5 -1 79 511.376 11 ↓
    Lo Low (pH 4.5-6) 4.75 9.22 -10.85 2 5 0 76 512.384 11 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1S,2S,4R)-N'-hydroxy-7-oxabicyclo[2.2.1]heptane-2-carboxamidine (1S,2S,4R)-N'-hydroxy-7-oxabicyc…

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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) 0.19 -0.54 -5.01 3 4 0 68 156.185 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1S,2R,4R)-N'-hydroxy-7-oxabicyclo[2.2.1]heptane-2-carboxamidine (1S,2R,4R)-N'-hydroxy-7-oxabicyc…

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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) 0.19 -0.81 -7.22 3 4 0 68 156.185 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-(chloromethyl)-3-[(1S,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-1,2,4-oxadiazole 5-(chloromethyl)-3-[(1S,2S,4R)-7…

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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) 1.07 2.14 -9.25 0 4 0 48 214.652 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-(chloromethyl)-3-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-1,2,4-oxadiazole 5-(chloromethyl)-3-[(1S,2R,4R)-7…

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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) 1.07 2.66 -6.55 0 4 0 48 214.652 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-(3-chloropropyl)-3-[(1S,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-1,2,4-oxadiazole 5-(3-chloropropyl)-3-[(1S,2S,4R)…

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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) 1.55 3.71 -10.64 0 4 0 48 242.706 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-(3-chloropropyl)-3-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-1,2,4-oxadiazole 5-(3-chloropropyl)-3-[(1S,2R,4R)…

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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) 1.55 4.22 -7.97 0 4 0 48 242.706 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1S,2R,4R)-7-oxabicyclo[2.2.1]heptane-2-carbothioamide (1S,2R,4R)-7-oxabicyclo[2.2.1]he…

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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) 0.09 1.76 -10.78 2 2 0 35 157.238 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1S,2S,4R)-7-oxabicyclo[2.2.1]heptane-2-carbothioamide (1S,2S,4R)-7-oxabicyclo[2.2.1]he…

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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) 0.09 1.39 -7.12 2 2 0 35 157.238 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1R,4S,5S)-7-oxabicyclo[2.2.1]heptane-5-carboxamidine (1R,4S,5S)-7-oxabicyclo[2.2.1]he…

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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 0.54 -32.96 4 3 1 61 141.194 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[(1S,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-1H-tetrazole 5-[(1S,2S,4R)-7-oxabicyclo[2.2.1…

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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) -0.18 0.85 -41.75 0 5 -1 62 165.176 1 ↓
    Mid Mid (pH 6-8) -0.18 0.84 -7.67 1 5 0 64 166.184 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-1H-tetrazole 5-[(1S,2R,4R)-7-oxabicyclo[2.2.1…

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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) -0.18 0.79 -35.62 0 5 -1 62 165.176 1 ↓
    Mid Mid (pH 6-8) -0.18 0.8 -5.43 1 5 0 64 166.184 1 ↓

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    Embed Link to Results

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