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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-amino-N-[(4S,5S)-1-azabicyclo[3.2.1]octan-4-yl]-5-chloro-2-methoxy-benzamide 4-amino-N-[(4S,5S)-1-azabicyclo[…

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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 5.21 -43.7 4 5 1 69 310.805 3 ↓

Analogs

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Popular Name: 1-[4-[[(5R)-1-azabicyclo[3.2.1]octan-5-yl]oxy]-3-methoxy-phenyl]ethanone 1-[4-[[(5R)-1-azabicyclo[3.2.1]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) 2.10 6.83 -46.96 1 4 1 40 276.356 4 ↓
Mid Mid (pH 6-8) 2.10 4.22 -10.36 0 4 0 39 275.348 4 ↓

Analogs

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Popular Name: 1-[4-[[(5S)-1-azabicyclo[3.2.1]octan-5-yl]oxy]-3-methoxy-phenyl]ethanone 1-[4-[[(5S)-1-azabicyclo[3.2.1]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) 2.10 6.83 -46.95 1 4 1 40 276.356 4 ↓
Mid Mid (pH 6-8) 2.10 4.2 -10.33 0 4 0 39 275.348 4 ↓

Analogs

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Popular Name: 2-[[(5R)-1-azabicyclo[3.2.1]octan-5-yl]oxy]-N-(2-pyridyl)benzamide 2-[[(5R)-1-azabicyclo[3.2.1]octa…

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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) 3.11 9.37 -44.98 2 5 1 56 324.404 4 ↓
Hi High (pH 8-9.5) 3.11 6.68 -17.22 1 5 0 54 323.396 4 ↓

Analogs

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Popular Name: 2-[[(5S)-1-azabicyclo[3.2.1]octan-5-yl]oxy]-N-(2-pyridyl)benzamide 2-[[(5S)-1-azabicyclo[3.2.1]octa…

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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) 3.11 9.37 -44.92 2 5 1 56 324.404 4 ↓
Hi High (pH 8-9.5) 3.11 6.68 -17.16 1 5 0 54 323.396 4 ↓

Analogs

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Popular Name: 1-[4-[[(5R)-1-azabicyclo[3.2.1]octan-5-yl]oxy]phenyl]-N-(tetrahydropyran-4-ylmethyl)methanamine 1-[4-[[(5R)-1-azabicyclo[3.2.1]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) 2.93 8.21 -92.18 3 4 2 40 332.488 6 ↓
Hi High (pH 8-9.5) 2.93 5.53 -47.46 2 4 1 38 331.48 6 ↓

Analogs

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Popular Name: 1-[4-[[(5S)-1-azabicyclo[3.2.1]octan-5-yl]oxy]phenyl]-N-(tetrahydropyran-4-ylmethyl)methanamine 1-[4-[[(5S)-1-azabicyclo[3.2.1]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) 2.93 8.21 -91.38 3 4 2 40 332.488 6 ↓
Hi High (pH 8-9.5) 2.93 5.53 -47.45 2 4 1 38 331.48 6 ↓

Analogs

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Popular Name: (5R)-5-(3-pyridyloxy)-1-azabicyclo[3.2.1]octane (5R)-5-(3-pyridyloxy)-1-azabicyc…

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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) 1.54 4.75 -40.8 1 3 1 27 205.281 2 ↓
Hi High (pH 8-9.5) 1.54 2.06 -4.62 0 3 0 25 204.273 2 ↓
Lo Low (pH 4.5-6) 1.54 5.2 -82.57 2 3 2 28 206.289 2 ↓

Analogs

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Popular Name: (5S)-5-(3-pyridyloxy)-1-azabicyclo[3.2.1]octane (5S)-5-(3-pyridyloxy)-1-azabicyc…

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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) 1.54 4.74 -40.86 1 3 1 27 205.281 2 ↓
Hi High (pH 8-9.5) 1.54 2.06 -4.57 0 3 0 25 204.273 2 ↓
Lo Low (pH 4.5-6) 1.54 5.2 -82.44 2 3 2 28 206.289 2 ↓

Analogs

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Popular Name: [2-[[(5R)-1-azabicyclo[3.2.1]octan-5-yl]oxy]phenyl]-pyrrolidin-1-yl-methanone [2-[[(5R)-1-azabicyclo[3.2.1]oct…

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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) 2.49 8.36 -42.61 1 4 1 34 301.41 3 ↓
Hi High (pH 8-9.5) 2.49 5.66 -12.94 0 4 0 33 300.402 3 ↓

Analogs

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Popular Name: [2-[[(5S)-1-azabicyclo[3.2.1]octan-5-yl]oxy]phenyl]-pyrrolidin-1-yl-methanone [2-[[(5S)-1-azabicyclo[3.2.1]oct…

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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) 2.49 8.35 -43.16 1 4 1 34 301.41 3 ↓
Hi High (pH 8-9.5) 2.49 5.65 -12.8 0 4 0 33 300.402 3 ↓

Analogs

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Popular Name: 2-[[4-[[(5R)-1-azabicyclo[3.2.1]octan-5-yl]oxy]phenyl]methylamino]-2-methyl-propane-1,3-diol 2-[[4-[[(5R)-1-azabicyclo[3.2.1]…

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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) 1.34 1.87 -82.3 5 5 2 71 322.449 7 ↓
Hi High (pH 8-9.5) 1.34 -0.82 -39.12 4 5 1 70 321.441 7 ↓

Analogs

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Popular Name: 2-[[4-[[(5S)-1-azabicyclo[3.2.1]octan-5-yl]oxy]phenyl]methylamino]-2-methyl-propane-1,3-diol 2-[[4-[[(5S)-1-azabicyclo[3.2.1]…

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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) 1.34 1.86 -82.5 5 5 2 71 322.449 7 ↓
Hi High (pH 8-9.5) 1.34 -0.82 -38.87 4 5 1 70 321.441 7 ↓

Analogs

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Popular Name: [4-[[4-[[(5R)-1-azabicyclo[3.2.1]octan-5-yl]oxy]phenyl]methyl]-1,4-diazepan-1-yl]-cyclopropyl-methan [4-[[4-[[(5R)-1-azabicyclo[3.2.1…

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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) 2.77 11.85 -91.09 2 5 2 38 385.552 5 ↓
Hi High (pH 8-9.5) 2.77 10.01 -44.73 1 5 1 37 384.544 5 ↓
Hi High (pH 8-9.5) 2.77 9.17 -45.67 1 5 1 37 384.544 5 ↓

Analogs

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Popular Name: [4-[[4-[[(5S)-1-azabicyclo[3.2.1]octan-5-yl]oxy]phenyl]methyl]-1,4-diazepan-1-yl]-cyclopropyl-methan [4-[[4-[[(5S)-1-azabicyclo[3.2.1…

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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) 2.77 11.85 -90.45 2 5 2 38 385.552 5 ↓
Hi High (pH 8-9.5) 2.77 9.16 -45.72 1 5 1 37 384.544 5 ↓
Hi High (pH 8-9.5) 2.77 7.32 -10.19 0 5 0 36 383.536 5 ↓

Analogs

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Popular Name: 5-[[(5R)-1-azabicyclo[3.2.1]octan-5-yl]oxy]-4-ethyl-7-methyl-chromen-2-one 5-[[(5R)-1-azabicyclo[3.2.1]octa…

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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) 3.89 10.43 -53.3 1 4 1 44 314.405 3 ↓
Hi High (pH 8-9.5) 3.89 7.74 -9.09 0 4 0 43 313.397 3 ↓

Analogs

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Popular Name: 5-[[(5S)-1-azabicyclo[3.2.1]octan-5-yl]oxy]-4-ethyl-7-methyl-chromen-2-one 5-[[(5S)-1-azabicyclo[3.2.1]octa…

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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) 3.89 10.43 -53.33 1 4 1 44 314.405 3 ↓
Hi High (pH 8-9.5) 3.89 7.74 -9.12 0 4 0 43 313.397 3 ↓

Analogs

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Popular Name: (5R)-5-[3-[(4-allylpiperazin-1-yl)methyl]phenoxy]-1-azabicyclo[3.2.1]octane (5R)-5-[3-[(4-allylpiperazin-1-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) 2.93 9.08 -77.57 2 4 2 21 343.515 6 ↓
Hi High (pH 8-9.5) 2.93 4.11 -3.63 0 4 0 19 341.499 6 ↓
Mid Mid (pH 6-8) 2.93 6.81 -38.14 1 4 1 20 342.507 6 ↓

Analogs

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Popular Name: (5S)-5-[3-[(4-allylpiperazin-1-yl)methyl]phenoxy]-1-azabicyclo[3.2.1]octane (5S)-5-[3-[(4-allylpiperazin-1-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) 2.93 9.07 -78.31 2 4 2 21 343.515 6 ↓
Hi High (pH 8-9.5) 2.93 4.1 -3.66 0 4 0 19 341.499 6 ↓
Mid Mid (pH 6-8) 2.93 6.8 -38.18 1 4 1 20 342.507 6 ↓

Analogs

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Popular Name: 4-[[3-[[(5R)-1-azabicyclo[3.2.1]octan-5-yl]oxy]phenyl]methyl]-1-cyclopentyl-piperazin-2-one 4-[[3-[[(5R)-1-azabicyclo[3.2.1]…

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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) 3.01 11.06 -90.94 2 5 2 38 385.552 5 ↓
Hi High (pH 8-9.5) 3.01 6.07 -10.15 0 5 0 36 383.536 5 ↓
Mid Mid (pH 6-8) 3.01 8.76 -41.1 1 5 1 37 384.544 5 ↓

Analogs

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Popular Name: 4-[[3-[[(5S)-1-azabicyclo[3.2.1]octan-5-yl]oxy]phenyl]methyl]-1-cyclopentyl-piperazin-2-one 4-[[3-[[(5S)-1-azabicyclo[3.2.1]…

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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) 3.01 11.06 -91 2 5 2 38 385.552 5 ↓
Hi High (pH 8-9.5) 3.01 6.06 -9.98 0 5 0 36 383.536 5 ↓
Mid Mid (pH 6-8) 3.01 8.75 -41.63 1 5 1 37 384.544 5 ↓

Analogs

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Popular Name: (5R)-5-[2-methoxy-4-(pyrrolidin-1-ylmethyl)phenoxy]-1-azabicyclo[3.2.1]octane (5R)-5-[2-methoxy-4-(pyrrolidin-…

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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) 2.41 9.48 -82.87 2 4 2 27 318.461 5 ↓
Hi High (pH 8-9.5) 2.41 6.79 -40.51 1 4 1 26 317.453 5 ↓

Analogs

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Popular Name: (5S)-5-[2-methoxy-4-(pyrrolidin-1-ylmethyl)phenoxy]-1-azabicyclo[3.2.1]octane (5S)-5-[2-methoxy-4-(pyrrolidin-…

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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) 2.41 9.48 -83.22 2 4 2 27 318.461 5 ↓
Hi High (pH 8-9.5) 2.41 6.79 -40.41 1 4 1 26 317.453 5 ↓

Analogs

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Popular Name: (5R)-5-[3-(5-methyltetrazol-1-yl)phenoxy]-1-azabicyclo[3.2.1]octane (5R)-5-[3-(5-methyltetrazol-1-yl…

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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 6.54 -49.3 1 6 1 57 286.359 3 ↓
Hi High (pH 8-9.5) 1.55 3.84 -12.86 0 6 0 56 285.351 3 ↓

Analogs

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Popular Name: (5S)-5-[3-(5-methyltetrazol-1-yl)phenoxy]-1-azabicyclo[3.2.1]octane (5S)-5-[3-(5-methyltetrazol-1-yl…

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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 6.52 -42.93 1 6 1 57 286.359 3 ↓
Hi High (pH 8-9.5) 1.55 3.84 -12.8 0 6 0 56 285.351 3 ↓

Analogs

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Popular Name: (5R)-5-[4-(1,2,4-triazol-1-yl)phenoxy]-1-azabicyclo[3.2.1]octane (5R)-5-[4-(1,2,4-triazol-1-yl)ph…

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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) 1.41 9.02 -43.98 1 5 1 44 271.344 3 ↓
Hi High (pH 8-9.5) 1.41 6.33 -7.9 0 5 0 43 270.336 3 ↓

Analogs

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Popular Name: (5S)-5-[4-(1,2,4-triazol-1-yl)phenoxy]-1-azabicyclo[3.2.1]octane (5S)-5-[4-(1,2,4-triazol-1-yl)ph…

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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) 1.41 9.01 -44.04 1 5 1 44 271.344 3 ↓
Hi High (pH 8-9.5) 1.41 6.32 -7.95 0 5 0 43 270.336 3 ↓

Analogs

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Popular Name: 2-[3-[[(5R)-1-azabicyclo[3.2.1]octan-5-yl]oxy]phenyl]-1,3,4-oxadiazole 2-[3-[[(5R)-1-azabicyclo[3.2.1]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) 2.46 2.42 -46.09 1 5 1 53 272.328 3 ↓
Hi High (pH 8-9.5) 2.46 -0.27 -10.52 0 5 0 51 271.32 3 ↓

Analogs

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Popular Name: 2-[3-[[(5S)-1-azabicyclo[3.2.1]octan-5-yl]oxy]phenyl]-1,3,4-oxadiazole 2-[3-[[(5S)-1-azabicyclo[3.2.1]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) 2.46 2.42 -46.11 1 5 1 53 272.328 3 ↓
Hi High (pH 8-9.5) 2.46 -0.28 -8.54 0 5 0 51 271.32 3 ↓

Analogs

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Popular Name: N-[3-[[(5R)-1-azabicyclo[3.2.1]octan-5-yl]oxy]phenyl]-3-methyl-isoxazole-5-carboxamide N-[3-[[(5R)-1-azabicyclo[3.2.1]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) 2.43 6.15 -43.75 2 6 1 69 328.392 4 ↓
Hi High (pH 8-9.5) 2.43 3.45 -9.87 1 6 0 68 327.384 4 ↓

Analogs

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Popular Name: N-[3-[[(5S)-1-azabicyclo[3.2.1]octan-5-yl]oxy]phenyl]-3-methyl-isoxazole-5-carboxamide N-[3-[[(5S)-1-azabicyclo[3.2.1]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) 2.43 6.15 -43.61 2 6 1 69 328.392 4 ↓
Hi High (pH 8-9.5) 2.43 3.46 -9.93 1 6 0 68 327.384 4 ↓

Analogs

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Popular Name: methyl methyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.82 8.82 -40.54 1 4 1 40 290.383 6 ↓
Hi High (pH 8-9.5) 2.82 6.11 -6.44 0 4 0 39 289.375 6 ↓

Analogs

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Popular Name: methyl methyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.82 8.81 -41.04 1 4 1 40 290.383 6 ↓
Hi High (pH 8-9.5) 2.82 6.11 -6.36 0 4 0 39 289.375 6 ↓

Analogs

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Popular Name: (5R)-5-(4-phenoxyphenoxy)-1-azabicyclo[3.2.1]octane (5R)-5-(4-phenoxyphenoxy)-1-azab…

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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 9.42 -40.97 1 3 1 23 296.39 4 ↓
Hi High (pH 8-9.5) 4.37 6.73 -4.41 0 3 0 22 295.382 4 ↓

Analogs

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Popular Name: (5S)-5-(4-phenoxyphenoxy)-1-azabicyclo[3.2.1]octane (5S)-5-(4-phenoxyphenoxy)-1-azab…

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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 9.35 -40.94 1 3 1 23 296.39 4 ↓
Hi High (pH 8-9.5) 4.37 6.65 -4.51 0 3 0 22 295.382 4 ↓

Analogs

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Popular Name: (5R)-5-[4-[[4-(4-pyridyl)-1-piperidyl]methyl]phenoxy]-1-azabicyclo[3.2.1]octane (5R)-5-[4-[[4-(4-pyridyl)-1-pipe…

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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) 3.60 11.99 -92.46 2 4 2 31 379.548 5 ↓
Hi High (pH 8-9.5) 3.60 9.3 -47.26 1 4 1 30 378.54 5 ↓
Lo Low (pH 4.5-6) 3.60 12.44 -146.85 3 4 3 32 380.556 5 ↓

Analogs

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Popular Name: (5S)-5-[4-[[4-(4-pyridyl)-1-piperidyl]methyl]phenoxy]-1-azabicyclo[3.2.1]octane (5S)-5-[4-[[4-(4-pyridyl)-1-pipe…

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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) 3.60 11.98 -92.28 2 4 2 31 379.548 5 ↓
Hi High (pH 8-9.5) 3.60 9.3 -47.25 1 4 1 30 378.54 5 ↓
Lo Low (pH 4.5-6) 3.60 12.44 -145.89 3 4 3 32 380.556 5 ↓

Analogs

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Popular Name: (5R)-5-(4-allyl-2-methoxy-phenoxy)-1-azabicyclo[3.2.1]octane (5R)-5-(4-allyl-2-methoxy-phenox…

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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 8.4 -38.66 1 3 1 23 274.384 5 ↓
Hi High (pH 8-9.5) 3.03 5.71 -5.7 0 3 0 22 273.376 5 ↓

Analogs

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Popular Name: (5S)-5-(4-allyl-2-methoxy-phenoxy)-1-azabicyclo[3.2.1]octane (5S)-5-(4-allyl-2-methoxy-phenox…

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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 8.39 -38.65 1 3 1 23 274.384 5 ↓
Hi High (pH 8-9.5) 3.03 5.7 -5.68 0 3 0 22 273.376 5 ↓

Analogs

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Popular Name: 6-[[(5R)-1-azabicyclo[3.2.1]octan-5-yl]oxy]tetralin-1-one 6-[[(5R)-1-azabicyclo[3.2.1]octa…

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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 8.11 -42.7 1 3 1 31 272.368 2 ↓
Mid Mid (pH 6-8) 2.90 5.42 -6.81 0 3 0 30 271.36 2 ↓

Analogs

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Popular Name: 6-[[(5S)-1-azabicyclo[3.2.1]octan-5-yl]oxy]tetralin-1-one 6-[[(5S)-1-azabicyclo[3.2.1]octa…

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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 8.1 -46.45 1 3 1 31 272.368 2 ↓
Mid Mid (pH 6-8) 2.90 5.41 -6.75 0 3 0 30 271.36 2 ↓

Analogs

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Popular Name: N-[[4-[[(5R)-1-azabicyclo[3.2.1]octan-5-yl]oxy]phenyl]methyl]-1-(2-pyridyl)methanamine N-[[4-[[(5R)-1-azabicyclo[3.2.1]…

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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) 2.40 8.46 -88.11 3 4 2 43 325.456 6 ↓
Hi High (pH 8-9.5) 2.40 5.77 -44.37 2 4 1 42 324.448 6 ↓
Hi High (pH 8-9.5) 2.40 4.4 -7.16 1 4 0 37 323.44 6 ↓

Analogs

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Popular Name: N-[[4-[[(5S)-1-azabicyclo[3.2.1]octan-5-yl]oxy]phenyl]methyl]-1-(2-pyridyl)methanamine N-[[4-[[(5S)-1-azabicyclo[3.2.1]…

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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) 2.40 8.46 -88.36 3 4 2 43 325.456 6 ↓
Hi High (pH 8-9.5) 2.40 5.77 -43.95 2 4 1 42 324.448 6 ↓
Hi High (pH 8-9.5) 2.40 4.4 -6.69 1 4 0 37 323.44 6 ↓

Analogs

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Popular Name: (5R)-5-(2-isopropoxyphenoxy)-1-azabicyclo[3.2.1]octane (5R)-5-(2-isopropoxyphenoxy)-1-a…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.97 7.98 -38.3 1 3 1 23 262.373 4 ↓
Hi High (pH 8-9.5) 2.97 5.29 -5.92 0 3 0 22 261.365 4 ↓

Analogs

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Popular Name: (5S)-5-(2-isopropoxyphenoxy)-1-azabicyclo[3.2.1]octane (5S)-5-(2-isopropoxyphenoxy)-1-a…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.97 7.97 -38.23 1 3 1 23 262.373 4 ↓
Hi High (pH 8-9.5) 2.97 5.28 -5.91 0 3 0 22 261.365 4 ↓

Analogs

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Popular Name: 2-[2-[[(5R)-1-azabicyclo[3.2.1]octan-5-yl]oxy]phenyl]-1,3-benzothiazole 2-[2-[[(5R)-1-azabicyclo[3.2.1]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) 4.92 10.16 -42.85 1 3 1 27 337.468 3 ↓
Hi High (pH 8-9.5) 4.92 7.46 -10.64 0 3 0 25 336.46 3 ↓

Analogs

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Popular Name: 2-[2-[[(5S)-1-azabicyclo[3.2.1]octan-5-yl]oxy]phenyl]-1,3-benzothiazole 2-[2-[[(5S)-1-azabicyclo[3.2.1]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) 4.92 10.14 -42.87 1 3 1 27 337.468 3 ↓
Hi High (pH 8-9.5) 4.92 7.46 -10.6 0 3 0 25 336.46 3 ↓

Analogs

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Popular Name: (5R)-5-[2,6-dimethyl-4-(pyrrolidin-1-ylmethyl)phenoxy]-1-azabicyclo[3.2.1]octane (5R)-5-[2,6-dimethyl-4-(pyrrolid…

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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) 3.58 10.94 -79.06 2 3 2 18 316.489 4 ↓
Hi High (pH 8-9.5) 3.58 8.24 -36.76 1 3 1 17 315.481 4 ↓

Analogs

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Popular Name: (5S)-5-[2,6-dimethyl-4-(pyrrolidin-1-ylmethyl)phenoxy]-1-azabicyclo[3.2.1]octane (5S)-5-[2,6-dimethyl-4-(pyrrolid…

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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) 3.58 10.92 -78.96 2 3 2 18 316.489 4 ↓
Hi High (pH 8-9.5) 3.58 8.22 -36.83 1 3 1 17 315.481 4 ↓

Analogs

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Popular Name: N-[[4-[[(5R)-1-azabicyclo[3.2.1]octan-5-yl]oxy]phenyl]methyl]-N-methyl-1-(5-methyl-1,2,4-oxadiazol-3 N-[[4-[[(5R)-1-azabicyclo[3.2.1]…

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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) 1.90 7.33 -86.63 2 6 2 57 344.459 6 ↓
Hi High (pH 8-9.5) 1.90 4.64 -43.07 1 6 1 56 343.451 6 ↓
Hi High (pH 8-9.5) 1.90 2.33 -9.35 0 6 0 55 342.443 6 ↓

Parameters Provided:

ring.id = 187117
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 = 187117 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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