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    • Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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    Analogs

    5735877
    5735877
    5752142
    5752142
    5752192
    5752192
    13572721
    13572721
    13572724
    13572724

    Draw Identity 99% 90% 80% 70%

    Popular Name: Ambros-2-en-12-oic acid, 6-beta,13-epoxy-8-alpha,13-dihydroxy-11-methyl-4-oxo-, gamma-lactone; LS-16554; Tenulin Ambros-2-en-12-oic acid, 6-beta,…

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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) 0.64 -0.75 -14.14 1 5 0 72 306.358 0 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: cycloheptylcarbamoylmethyl cycloheptylcarbamoylmethyl

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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) 2.00 -1.61 -20.51 3 9 0 124 388.472 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (E)-3-[2-(cycloheptoxymethyl)phenyl]prop-2-enoic (E)-3-[2-(cycloheptoxymethyl)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) 4.05 10.23 -47.89 0 3 -1 49 273.352 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (E)-3-[4-(cycloheptoxymethyl)phenyl]prop-2-enoic (E)-3-[4-(cycloheptoxymethyl)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) 4.27 10.15 -48.85 0 3 -1 49 273.352 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (E)-3-[4-(cycloheptoxymethyl)-3-fluoro-phenyl]prop-2-enoic (E)-3-[4-(cycloheptoxymethyl)-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) 4.37 10.37 -46.08 0 3 -1 49 291.342 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (E)-3-[3-(cycloheptoxymethyl)phenyl]prop-2-enoic (E)-3-[3-(cycloheptoxymethyl)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) 4.25 10.13 -49.63 0 3 -1 49 273.352 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (E)-3-[2-(cycloheptoxymethyl)-5-fluoro-phenyl]prop-2-enoic (E)-3-[2-(cycloheptoxymethyl)-5-…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 4.19 10.3 -45.42 0 3 -1 49 291.342 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (E)-3-[5-(cycloheptoxymethyl)-2-fluoro-phenyl]prop-2-enoic (E)-3-[5-(cycloheptoxymethyl)-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) 4.19 10.18 -51.54 0 3 -1 49 291.342 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: cycloheptylcarbamoylmethyl cycloheptylcarbamoylmethyl

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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 1.46 -14.35 1 7 0 83 391.464 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-cycloheptyl-5-(3-hydroxyprop-1-ynyl)-N-methyl-pyridine-3-carboxamide N-cycloheptyl-5-(3-hydroxyprop-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) 1.63 5.27 -10.33 1 4 0 53 286.375 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-cycloheptyl-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide N-cycloheptyl-5-(3-hydroxyprop-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) 1.85 3.78 -11.54 2 4 0 62 272.348 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-cycloheptyl-5-(4-hydroxybut-1-ynyl)pyridine-3-carboxamide N-cycloheptyl-5-(4-hydroxybut-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) 2.12 4.49 -9.81 2 4 0 62 286.375 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(benzo[1,3]dioxol-4-ylmethyl)-N-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-3-ylmethyl)cycloheptanec N-(benzo[1,3]dioxol-4-ylmethyl)-…

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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 0.21 -15.19 0 6 0 57 423.509 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(benzo[1,3]dioxol-4-ylmethyl)-N-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-3-ylmethyl)cycloheptanec N-(benzo[1,3]dioxol-4-ylmethyl)-…

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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 0.75 -15.91 0 6 0 57 423.509 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(benzo[1,3]dioxol-4-ylmethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cycloheptanecarboxamide N-(benzo[1,3]dioxol-4-ylmethyl)-…

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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) 3.94 1.28 -11.73 0 6 0 56 397.519 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(benzo[1,3]dioxol-5-ylmethyl)-N-(1,3-dioxolan-2-ylmethyl)cycloheptanecarboxamide N-(benzo[1,3]dioxol-5-ylmethyl)-…

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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) 3.55 -0.73 -12.35 0 6 0 57 361.438 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (E)-3-[5-(cycloheptylcarbamoyl)-3-pyridyl]prop-2-enoic (E)-3-[5-(cycloheptylcarbamoyl)-…

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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) 2.08 6.75 -50.88 1 5 -1 82 287.339 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1S)-1-[3-chloro-4-(cycloheptoxy)phenyl]-N-methyl-ethanamine (1S)-1-[3-chloro-4-(cycloheptoxy…

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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) 5.13 8.8 -43.16 2 2 1 26 282.835 4 ↓
    Hi High (pH 8-9.5) 5.13 7.62 -2.69 1 2 0 21 281.827 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1R)-1-[3-chloro-4-(cycloheptoxy)phenyl]-N-methyl-ethanamine (1R)-1-[3-chloro-4-(cycloheptoxy…

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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) 5.13 8.8 -43.07 2 2 1 26 282.835 4 ↓
    Hi High (pH 8-9.5) 5.13 7.62 -3.49 1 2 0 21 281.827 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1S)-1-[3-chloro-4-(cycloheptoxy)phenyl]ethanamine (1S)-1-[3-chloro-4-(cycloheptoxy…

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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) 2.88 7.02 -48.82 3 2 1 37 268.808 3 ↓
    Hi High (pH 8-9.5) 2.88 6.69 -3.45 2 2 0 35 267.8 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1R)-1-[3-chloro-4-(cycloheptoxy)phenyl]ethanamine (1R)-1-[3-chloro-4-(cycloheptoxy…

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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) 2.88 7.01 -48.72 3 2 1 37 268.808 3 ↓
    Hi High (pH 8-9.5) 2.88 6.68 -3.69 2 2 0 35 267.8 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1S)-1-[3-bromo-4-(cycloheptoxy)phenyl]ethanamine (1S)-1-[3-bromo-4-(cycloheptoxy)…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.01 7.13 -48.71 3 2 1 37 313.259 3 ↓
    Hi High (pH 8-9.5) 3.01 6.81 -3.3 2 2 0 35 312.251 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1R)-1-[3-bromo-4-(cycloheptoxy)phenyl]ethanamine (1R)-1-[3-bromo-4-(cycloheptoxy)…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.01 7.12 -48.67 3 2 1 37 313.259 3 ↓
    Hi High (pH 8-9.5) 3.01 6.8 -3.58 2 2 0 35 312.251 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: isopropenyl(octamethyl)BLAHone isopropenyl(octamethyl)BLAHone

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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) 9.38 19.72 -7.59 0 3 0 36 622.934 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: isopropenyl(octamethyl)BLAHone isopropenyl(octamethyl)BLAHone

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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) 9.38 20.5 -5.77 0 3 0 36 622.934 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: isopropenyl(octamethyl)BLAHone isopropenyl(octamethyl)BLAHone

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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) 9.38 19.72 -8.03 0 3 0 36 622.934 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: isopropenyl(octamethyl)BLAHone isopropenyl(octamethyl)BLAHone

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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) 9.38 20.15 -5.91 0 3 0 36 622.934 1 ↓

    Analogs

    4550810
    4550810

    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) 1.99 -1.6 -15.83 1 4 0 49 266.385 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-cycloheptyl-1-cyclopentyl-5-oxo-pyrrolidine-3-carboxamide N-cycloheptyl-1-cyclopentyl-5-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) 3.08 -1.68 -13.44 1 4 0 49 292.423 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-cycloheptyl-1-cyclopentyl-5-oxo-pyrrolidine-3-carboxamide N-cycloheptyl-1-cyclopentyl-5-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) 3.08 -1.97 -10.51 1 4 0 49 292.423 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-(3-aminoprop-1-ynyl)-N-cycloheptyl-N-methyl-pyridine-3-carboxamide 5-(3-aminoprop-1-ynyl)-N-cyclohe…

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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) 1.06 6.06 -58.15 3 4 1 61 286.399 2 ↓
    Mid Mid (pH 6-8) 1.06 5.65 -8.8 2 4 0 59 285.391 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-(3-aminoprop-1-ynyl)-N-cycloheptyl-pyridine-3-carboxamide 5-(3-aminoprop-1-ynyl)-N-cyclohe…

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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) 1.29 4.49 -52.58 4 4 1 70 272.372 2 ↓
    Mid Mid (pH 6-8) 1.29 4.09 -9.66 3 4 0 68 271.364 2 ↓

    Analogs

    36880258
    36880258
    36880895
    36880895
    36881307
    36881307
    36881308
    36881308
    36881729
    36881729

    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) 3.32 -4.48 -8.87 1 3 0 46 233.377 5 ↓

    Analogs

    6647821
    6647821
    6647826
    6647826

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-cycloheptyl-4-methyl-3-morpholinosulfonyl-benzamide N-cycloheptyl-4-methyl-3-morphol…

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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) 3.08 4.56 -16.99 1 6 0 76 380.51 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-acetyl-N-cycloheptyl-2-methyl-indoline-5-sulfonamide 1-acetyl-N-cycloheptyl-2-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) 3.18 -4.47 -14.91 1 5 0 66 350.484 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-acetyl-N-cycloheptyl-2-methyl-indoline-5-sulfonamide 1-acetyl-N-cycloheptyl-2-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) 3.18 -4.43 -15.17 1 5 0 66 350.484 3 ↓

    Analogs

    12357028
    12357028

    Draw Identity 99% 90% 80% 70%

    Popular Name: isopropyl 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) 2.95 4.22 -11 1 4 0 62 224.304 3 ↓

    Analogs

    48698419
    48698419

    Draw Identity 99% 90% 80% 70%

    Popular Name: isopropyl 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) 2.08 4.37 -11.73 3 4 0 64 258.387 4 ↓

    Analogs

    48687022
    48687022
    36379827
    36379827
    36379828
    36379828

    Draw Identity 99% 90% 80% 70%

    Popular Name: isopropyl 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) 2.19 1.69 -10.08 4 6 0 97 257.334 4 ↓

    Analogs

    410231
    410231

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[cycloheptyl(methyl)amino]-1,3,4-thiadiazole-2-thiol 5-[cycloheptyl(methyl)amino]-1,3…

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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) 3.68 6.79 -42.6 0 3 -1 29 242.393 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(4-methyl-3-nitro-anilino)cycloheptanecarboxylic 1-(4-methyl-3-nitro-anilino)cycl…

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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 9.2 -41.7 1 6 -1 98 291.327 4 ↓
    Lo Low (pH 4.5-6) 1.88 7.4 -7.56 2 6 0 95 292.335 4 ↓

    Analogs

    7450068
    7450068

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[4-amino-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cycloheptyl-propanamide 2-[[4-amino-5-(2-furyl)-1,2,4-tr…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.90 -3.52 -11.85 3 7 0 98 349.46 5 ↓

    Analogs

    7450054
    7450054

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[4-amino-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cycloheptyl-propanamide 2-[[4-amino-5-(2-furyl)-1,2,4-tr…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.90 -3.71 -11.37 3 7 0 98 349.46 5 ↓

    Analogs

    17190760
    17190760

    Draw Identity 99% 90% 80% 70%

    Popular Name: N'-cycloheptyl-N,7-diphenyl-3,5,7,8-tetrazabicyclo[4.3.0]nona-2,4,8,10-tetraene-2,4-diamine N'-cycloheptyl-N,7-diphenyl-3,5,…

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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) 6.49 15.32 -10.59 2 6 0 68 398.514 5 ↓

    Analogs

    3296791
    3296791

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[5-[cycloheptyl(methyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-[cycloheptyl(methyl)amino]…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.13 8.25 -46.16 0 5 -1 69 300.429 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N1-cycloheptyl-4-methyl-benzene-1,3-diamine N1-cycloheptyl-4-methyl-benzene-…

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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) 4.73 5.72 -2.77 3 2 0 38 218.344 2 ↓
    Lo Low (pH 4.5-6) 4.73 5.94 -33.78 4 2 1 43 219.352 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[(5-bromo-3-pyridyl)sulfonylamino]cycloheptanecarboxylic 1-[(5-bromo-3-pyridyl)sulfonylam…

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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) 0.64 4.02 -40.38 1 6 -1 99 376.252 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N1-cycloheptyl-N1,4-dimethyl-benzene-1,3-diamine N1-cycloheptyl-N1,4-dimethyl-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) 4.31 7.32 -3 2 2 0 29 232.371 2 ↓
    Lo Low (pH 4.5-6) 4.31 7.62 -14.83 3 2 0 30 233.379 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[(5-bromo-3-pyridyl)sulfonylamino]cycloheptanecarbothioamide 1-[(5-bromo-3-pyridyl)sulfonylam…

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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 2.52 -10.72 3 5 0 85 392.344 4 ↓
    Hi High (pH 8-9.5) 2.29 2.93 -34.51 2 5 -1 87 391.336 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-cycloheptyl-2-(2,6,7,9-tetrazabicyclo[4.3.0]nona-2,4,7,9-tetraen-8-ylsulfanyl)acetamide N-cycloheptyl-2-(2,6,7,9-tetraza…

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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) 2.28 -2.31 -18.57 1 6 0 72 305.407 4 ↓

    Parameters Provided:

    ring.id = 482
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=482&filter.purchasability=annotated

    Embed Link to Results

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