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

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (8aR)-2-[(2,3,4-trimethoxyphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (8aR)-2-[(2,3,4-trimethoxyphenyl…

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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 6.41 -37.78 1 5 1 35 307.414 5 ↓
    Hi High (pH 8-9.5) 1.85 4.25 -7.11 0 5 0 34 306.406 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (8aR)-2-[[(3S)-1-(2-furylmethyl)-3-piperidyl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin (8aR)-2-[[(3S)-1-(2-furylmethyl)…

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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 9.42 -84.85 2 4 2 25 305.466 4 ↓
    Hi High (pH 8-9.5) 2.08 7.23 -37.06 1 4 1 24 304.458 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (8aR)-2-[[(3R)-1-(2-furylmethyl)-3-piperidyl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin (8aR)-2-[[(3R)-1-(2-furylmethyl)…

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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 9.48 -81.93 2 4 2 25 305.466 4 ↓
    Hi High (pH 8-9.5) 2.08 7.3 -36.36 1 4 1 24 304.458 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-1-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-amino-2-phenyl-propan-1-one (2R)-1-[(8aR)-3,4,6,7,8,8a-hexah…

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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) 1.38 5.76 -39.06 3 4 1 51 274.388 2 ↓
    Mid Mid (pH 6-8) 1.38 3.66 -5.89 2 4 0 50 273.38 2 ↓
    Lo Low (pH 4.5-6) 1.38 5.96 -103.11 4 4 2 52 275.396 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-1-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-amino-2-phenyl-propan-1-one (2S)-1-[(8aR)-3,4,6,7,8,8a-hexah…

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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) 1.38 5.72 -38.8 3 4 1 51 274.388 2 ↓
    Mid Mid (pH 6-8) 1.38 4.1 -7.11 2 4 0 50 273.38 2 ↓
    Lo Low (pH 4.5-6) 1.38 5.92 -106.76 4 4 2 52 275.396 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(3-aminophenyl)ethanone 1-[(8aR)-3,4,6,7,8,8a-hexahydro-…

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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) 0.80 6.21 -43.66 3 4 1 51 260.361 2 ↓
    Hi High (pH 8-9.5) 0.80 4.09 -9.2 2 4 0 50 259.353 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(3-aminophenyl)ethanone 1-[(8aS)-3,4,6,7,8,8a-hexahydro-…

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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) 0.80 6.18 -43.81 3 4 1 51 260.361 2 ↓
    Hi High (pH 8-9.5) 0.80 3.95 -9.33 2 4 0 50 259.353 2 ↓

    Analogs

    12430314
    12430314
    12430315
    12430315

    Draw Identity 99% 90% 80% 70%

    Popular Name: [(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c]pyrazin-2-yl]-[5-[[4-(1,2,4-triazol-1-yl)phenoxy]meth [(8aR)-3,4,6,7,8,8a-hexahydro-1H…

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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 1.76 -47.41 1 9 1 91 395.443 5 ↓

    Analogs

    12430314
    12430314
    12430315
    12430315

    Draw Identity 99% 90% 80% 70%

    Popular Name: [(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c]pyrazin-2-yl]-[5-[[4-(1,2,4-triazol-1-yl)phenoxy]meth [(8aS)-3,4,6,7,8,8a-hexahydro-1H…

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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 1.75 -46.68 1 9 1 91 395.443 5 ↓

    Analogs

    11818923
    11818923

    Draw Identity 99% 90% 80% 70%

    Popular Name: [(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c]pyrazin-2-yl]-[5-[(2-chloro-4-methoxy-phenoxy)methyl] [(8aR)-3,4,6,7,8,8a-hexahydro-1H…

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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) 2.83 7.5 -46.1 2 7 1 72 391.879 5 ↓

    Analogs

    11818922
    11818922

    Draw Identity 99% 90% 80% 70%

    Popular Name: [(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c]pyrazin-2-yl]-[5-[(2-chloro-4-methoxy-phenoxy)methyl] [(8aS)-3,4,6,7,8,8a-hexahydro-1H…

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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) 2.83 7.51 -46.15 2 7 1 72 391.879 5 ↓

    Analogs

    11820237
    11820237

    Draw Identity 99% 90% 80% 70%

    Popular Name: [(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c]pyrazin-2-yl]-[5-(indol-1-ylmethyl)-1H-pyrazol-3-yl]m [(8aR)-3,4,6,7,8,8a-hexahydro-1H…

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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) 2.40 9.99 -44.21 2 6 1 58 350.446 3 ↓

    Analogs

    11820236
    11820236

    Draw Identity 99% 90% 80% 70%

    Popular Name: [(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c]pyrazin-2-yl]-[5-(indol-1-ylmethyl)-1H-pyrazol-3-yl]m [(8aS)-3,4,6,7,8,8a-hexahydro-1H…

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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) 2.40 10.01 -42.96 2 6 1 58 350.446 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c]pyrazin-2-yl]-N-cyclopentyl-[1,2,5]oxadiazolo[3,4-e 5-[(8aR)-3,4,6,7,8,8a-hexahydro-…

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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) 2.38 -2.16 -46.81 2 8 1 84 330.416 3 ↓

    Analogs

    12004460
    12004460
    12194074
    12194074
    12194085
    12194085

    Draw Identity 99% 90% 80% 70%

    Popular Name: [(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c]pyrazin-2-yl]-[2-[[3-(trifluoromethyl)phenoxy]methyl] [(8aR)-3,4,6,7,8,8a-hexahydro-1H…

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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 1.55 -40.56 1 6 1 60 396.389 5 ↓

    Analogs

    12194074
    12194074
    12194085
    12194085
    12004455
    12004455

    Draw Identity 99% 90% 80% 70%

    Popular Name: [(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c]pyrazin-2-yl]-[2-[[3-(trifluoromethyl)phenoxy]methyl] [(8aS)-3,4,6,7,8,8a-hexahydro-1H…

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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 1.64 -42.18 1 6 1 60 396.389 5 ↓

    Analogs

    20614360
    20614360

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c]pyrazin-2-yl]-2-[6-cyclopropyl-3-methyl-4-(trifluor 1-[(8aR)-3,4,6,7,8,8a-hexahydro-…

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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 10.4 -49.15 1 6 1 55 408.448 4 ↓
    Mid Mid (pH 6-8) 2.28 8.15 -13.93 0 6 0 54 407.44 4 ↓

    Analogs

    20614358
    20614358

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c]pyrazin-2-yl]-2-[6-cyclopropyl-3-methyl-4-(trifluor 1-[(8aS)-3,4,6,7,8,8a-hexahydro-…

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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 10.47 -49.38 1 6 1 55 408.448 4 ↓
    Mid Mid (pH 6-8) 2.28 8.33 -14 0 6 0 54 407.44 4 ↓

    Analogs

    12019858
    12019858
    12583228
    12583228
    12583237
    12583237

    Draw Identity 99% 90% 80% 70%

    Popular Name: [(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c]pyrazin-2-yl]-[5-[(2-chloro-4-methoxy-phenoxy)methyl] [(8aR)-3,4,6,7,8,8a-hexahydro-1H…

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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) 2.93 0.91 -41.75 1 7 1 69 392.863 5 ↓

    Analogs

    12583228
    12583228
    12583237
    12583237
    12019853
    12019853

    Draw Identity 99% 90% 80% 70%

    Popular Name: [(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c]pyrazin-2-yl]-[5-[(2-chloro-4-methoxy-phenoxy)methyl] [(8aS)-3,4,6,7,8,8a-hexahydro-1H…

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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) 2.93 0.9 -41.66 1 7 1 69 392.863 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[2-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c]pyrazin-2-yl]-8-methyl-3-quinolyl]-N-(3-thienylm 1-[2-[(8aR)-3,4,6,7,8,8a-hexahyd…

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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) 3.54 -1.76 -106.91 3 4 2 37 394.588 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(3-fluoro-4-nitro-phenyl)methanone [(8aR)-3,4,6,7,8,8a-hexahydro-1H…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.24 8.04 -53.1 1 6 1 71 294.306 2 ↓
    Mid Mid (pH 6-8) 1.24 5.9 -11.18 0 6 0 69 293.298 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(3-fluoro-4-nitro-phenyl)methanone [(8aS)-3,4,6,7,8,8a-hexahydro-1H…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.24 8.03 -47.75 1 6 1 71 294.306 2 ↓
    Mid Mid (pH 6-8) 1.24 5.8 -8.68 0 6 0 69 293.298 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) 2.95 8 -36.76 2 4 1 37 310.421 3 ↓

    Analogs

    35900121
    35900121

    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) 0.60 3.57 -33.61 2 4 1 37 224.328 3 ↓

    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) 2.60 6.99 -35.66 2 4 1 37 288.415 3 ↓

    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) 2.62 6.93 -35.37 2 4 1 37 288.415 3 ↓

    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) 1.63 5.7 -33.74 2 4 1 37 274.388 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) 3.21 6.83 -34.06 2 4 1 37 373.702 3 ↓

    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) 2.05 5.76 -34.71 2 4 1 37 296.341 3 ↓

    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) 3.31 7.5 -34.88 2 4 1 37 302.442 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) 4.57 9.54 -41.61 2 5 1 50 407.563 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c]pyrazin-2-yl]methyl]benzonitrile 4-[[(8aR)-3,4,6,7,8,8a-hexahydro…

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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) 1.78 7.4 -37.52 1 3 1 31 242.346 2 ↓
    Hi High (pH 8-9.5) 1.78 5.24 -5.25 0 3 0 30 241.338 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [4-[[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c]pyrazin-2-yl]methyl]phenyl]methanamine [4-[[(8aR)-3,4,6,7,8,8a-hexahydr…

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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) 1.21 5.05 -82.14 4 3 2 35 247.386 3 ↓
    Hi High (pH 8-9.5) 1.21 2.89 -44.2 3 3 1 34 246.378 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(4-amino-1,2,5-oxadiazol-3-yl)methanone [(8aR)-3,4,6,7,8,8a-hexahydro-1H…

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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) -0.04 3.07 -39.77 3 7 1 90 238.271 1 ↓
    Mid Mid (pH 6-8) -0.04 0.98 -4.76 2 7 0 88 237.263 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(4-amino-1,2,5-oxadiazol-3-yl)methanone [(8aS)-3,4,6,7,8,8a-hexahydro-1H…

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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) -0.04 3.07 -39.87 3 7 1 90 238.271 1 ↓
    Mid Mid (pH 6-8) -0.04 0.78 -4.73 2 7 0 88 237.263 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (8aS)-3,3-dimethyloctahydropyrrolo[1,2-a]pyrazine (8aS)-3,3-dimethyloctahydropyrro…

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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) 1.19 2.84 -33.33 2 2 1 20 155.265 0 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (8aS)-3,3-dimethyloctahydropyrrolo[1,2-a]pyrazine (8aS)-3,3-dimethyloctahydropyrro…

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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) 1.19 2.72 -33.3 2 2 1 20 155.265 0 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [(3S,8aR)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-3-yl]methanol [(3S,8aR)-1,2,3,4,6,7,8,8a-octah…

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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 -1.06 -33.1 3 3 1 40 157.237 1 ↓
    Hi High (pH 8-9.5) -0.27 -0.46 -30.4 3 3 1 37 157.237 1 ↓
    Hi High (pH 8-9.5) -0.27 -2.36 -2.55 2 3 0 35 156.229 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3R,8aS)octahydropyrrolo[1,2-a]pyrazin-3-ylmethanol (3R,8aS)octahydropyrrolo[1,2-a]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) -0.27 -1.29 -32.98 3 3 1 40 157.237 1 ↓
    Hi High (pH 8-9.5) -0.27 -0.41 -30.17 3 3 1 37 157.237 1 ↓
    Hi High (pH 8-9.5) -0.27 -2.55 -3.38 2 3 0 35 156.229 1 ↓

    Analogs

    23358788
    23358788
    20202450
    20202450
    20202453
    20202453

    Draw Identity 99% 90% 80% 70%

    Popular Name: (8aR)-2-[[3-(1,3-benzodioxol-5-yl)-1-benzyl-pyrazol-4-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1 (8aR)-2-[[3-(1,3-benzodioxol-5-y…

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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) 3.56 10.8 -40.16 1 6 1 44 417.533 5 ↓
    Hi High (pH 8-9.5) 3.56 8.65 -11.25 0 6 0 43 416.525 5 ↓

    Analogs

    23358786
    23358786

    Draw Identity 99% 90% 80% 70%

    Popular Name: (8aS)-2-[[3-(1,3-benzodioxol-5-yl)-1-benzyl-pyrazol-4-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1 (8aS)-2-[[3-(1,3-benzodioxol-5-y…

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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) 3.56 12.25 -45.65 1 6 1 44 417.533 5 ↓
    Hi High (pH 8-9.5) 3.56 10.02 -10.01 0 6 0 43 416.525 5 ↓

    Analogs

    36789306
    36789306
    36789307
    36789307
    36790985
    36790985
    37096349
    37096349
    37096350
    37096350

    Draw Identity 99% 90% 80% 70%

    Popular Name: (S,S)-3-Isobutyl-1,4-diazabicyclo[4.3.0]nonane, 97% (S,S)-3-Isobutyl-1,4-diazabicycl…

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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) 2.02 4.14 -36.01 2 2 1 20 183.319 2 ↓
    Mid Mid (pH 6-8) 2.02 6.1 -108.69 3 2 2 21 184.327 2 ↓
    Mid Mid (pH 6-8) 2.02 4.86 -28.38 2 2 1 16 183.319 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-1-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-chloro-2-methyl-propan-1-one (2R)-1-[(8aR)-3,4,6,7,8,8a-hexah…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.30 6.24 -40.83 1 3 1 25 231.747 2 ↓
    Mid Mid (pH 6-8) 1.30 4.26 -5.71 0 3 0 24 230.739 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-1-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-chloro-2-methyl-propan-1-one (2S)-1-[(8aR)-3,4,6,7,8,8a-hexah…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.30 6.43 -40.44 1 3 1 25 231.747 2 ↓
    Mid Mid (pH 6-8) 1.30 4.29 -5.29 0 3 0 24 230.739 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-5-(trifluoromethyl)-[1,2,4]triazolo[1 7-[(8aR)-3,4,6,7,8,8a-hexahydro-…

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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) 1.70 11.21 -48.5 1 6 1 51 313.307 2 ↓
    Hi High (pH 8-9.5) 1.70 9.07 -9.48 0 6 0 50 312.299 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[8-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2,3-dihydropyrrolo[2,3-g]quinolin- 1-[8-[(8aS)-3,4,6,7,8,8a-hexahyd…

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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) 3.69 14.82 -88.01 2 8 2 88 459.55 4 ↓
    Mid Mid (pH 6-8) 3.69 12.57 -46.7 1 8 1 87 458.542 4 ↓

    Analogs

    43605139
    43605139
    43605140
    43605140

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(ethylamino)propan-1-one 1-[(8aR)-3,4,6,7,8,8a-hexahydro-…

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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) 0.03 5.43 -93.74 3 4 2 41 227.352 4 ↓
    Mid Mid (pH 6-8) 0.03 3.31 -43.25 2 4 1 40 226.344 4 ↓

    Analogs

    43605139
    43605139
    43605140
    43605140

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(ethylamino)propan-1-one 1-[(8aS)-3,4,6,7,8,8a-hexahydro-…

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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) 0.03 5.4 -93.74 3 4 2 41 227.352 4 ↓
    Mid Mid (pH 6-8) 0.03 3.17 -43.24 2 4 1 40 226.344 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(ethylamino)-2-methyl-propan-1-one 1-[(8aR)-3,4,6,7,8,8a-hexahydro-…

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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) 0.92 3.33 -38.94 2 4 1 40 240.371 3 ↓
    Hi High (pH 8-9.5) 0.92 3.18 -5.12 1 4 0 36 239.363 3 ↓
    Mid Mid (pH 6-8) 0.92 5.21 -87.37 3 4 2 41 241.379 3 ↓

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    Structural Results Found: (before additional filtering)

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    Embed Link to Results

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