UCSF
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Analogs

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Popular Name: (1R,5S)-8-hexyl-8-azabicyclo[3.2.1]octan-3-one (1R,5S)-8-hexyl-8-azabicyclo[3.2…

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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) 2.74 8.24 -40.65 1 2 1 22 210.341 5 ↓
Hi High (pH 8-9.5) 2.74 6.1 -3.87 0 2 0 20 209.333 5 ↓

Analogs

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Popular Name: ethyl ethyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.65 5.79 -6.3 0 4 0 47 355.026 2 ↓

Analogs

12410462
12410462

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Popular Name: tert-butyl tert-butyl

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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) -2.65 8.11 -33.65 0 4 1 43 240.323 2 ↓

Analogs

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Popular Name: (1R,5S)-8-[(5-methylpyrazin-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-one (1R,5S)-8-[(5-methylpyrazin-2-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) 0.44 2.82 -8.08 0 4 0 46 231.299 2 ↓
Mid Mid (pH 6-8) 0.44 4.93 -42.18 1 4 1 47 232.307 2 ↓

Analogs

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Popular Name: (1R,5S)-8-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]-8-azabicyclo[3.2.1]octan-3-one (1R,5S)-8-[(4R)-4,5,6,7-tetrahyd…

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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 8.46 -40.02 1 2 1 22 262.398 1 ↓
Mid Mid (pH 6-8) 2.28 6.52 -5.73 0 2 0 20 261.39 1 ↓

Analogs

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Popular Name: (1R,5S)-8-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]-8-azabicyclo[3.2.1]octan-3-one (1R,5S)-8-[(4S)-4,5,6,7-tetrahyd…

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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 8.22 -41.05 1 2 1 22 262.398 1 ↓
Mid Mid (pH 6-8) 2.28 6.53 -5.74 0 2 0 20 261.39 1 ↓

Analogs

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Popular Name: (1R,5S)-8-[(1S)-1-(3-thienyl)ethyl]-8-azabicyclo[3.2.1]octan-3-one (1R,5S)-8-[(1S)-1-(3-thienyl)eth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.84 7.7 -39.25 1 2 1 22 236.36 2 ↓
Mid Mid (pH 6-8) 1.84 5.74 -4.73 0 2 0 20 235.352 2 ↓

Analogs

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Popular Name: (1R,5S)-8-[(1R)-1-(3-thienyl)ethyl]-8-azabicyclo[3.2.1]octan-3-one (1R,5S)-8-[(1R)-1-(3-thienyl)eth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.84 7.66 -39.32 1 2 1 22 236.36 2 ↓
Mid Mid (pH 6-8) 1.84 5.63 -4.66 0 2 0 20 235.352 2 ↓

Analogs

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Popular Name: (1R,5S)-8-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-azabicyclo[3.2.1]octan-3-one (1R,5S)-8-[2-[2-methoxyethyl(met…

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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) 0.31 4.14 -42.07 1 4 1 34 241.355 6 ↓
Hi High (pH 8-9.5) 0.31 1.73 -5.6 0 4 0 33 240.347 6 ↓
Mid Mid (pH 6-8) 0.31 3.86 -41.04 1 4 1 34 241.355 6 ↓

Analogs

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Popular Name: (1R,5S)-8-[2-fluoro-5-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-one (1R,5S)-8-[2-fluoro-5-(trifluoro…

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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) 2.98 8.63 -5.33 0 2 0 20 287.256 2 ↓

Analogs

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Popular Name: (1R,5S)-8-[(3S)-1,1-dioxothian-3-yl]-8-azabicyclo[3.2.1]octan-3-one (1R,5S)-8-[(3S)-1,1-dioxothian-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) 0.08 1.44 -14.59 0 4 0 54 257.355 1 ↓
Mid Mid (pH 6-8) 0.08 3.56 -56.74 1 4 1 56 258.363 1 ↓

Analogs

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Popular Name: (1R,5S)-8-[(3R)-1,1-dioxothian-3-yl]-8-azabicyclo[3.2.1]octan-3-one (1R,5S)-8-[(3R)-1,1-dioxothian-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) 0.08 1.44 -14.56 0 4 0 54 257.355 1 ↓
Mid Mid (pH 6-8) 0.08 3.56 -56.76 1 4 1 56 258.363 1 ↓

Analogs

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Popular Name: (1R,5S)-8-[4-(1-piperidyl)phenyl]-8-azabicyclo[3.2.1]octan-3-one (1R,5S)-8-[4-(1-piperidyl)phenyl…

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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) 3.00 9.51 -5.23 0 3 0 24 284.403 2 ↓
Mid Mid (pH 6-8) 3.00 10.14 -33.66 1 3 1 25 285.411 2 ↓

Analogs

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Popular Name: (1R,5S)-8-(4-pyrrolidin-1-ylphenyl)-8-azabicyclo[3.2.1]octan-3-one (1R,5S)-8-(4-pyrrolidin-1-ylphen…

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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 8.82 -5.59 0 3 0 24 270.376 2 ↓

Analogs

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Popular Name: (1R,5S)-8-[4-(diethylamino)phenyl]-8-azabicyclo[3.2.1]octan-3-one (1R,5S)-8-[4-(diethylamino)pheny…

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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) 2.84 9.53 -14.29 1 3 0 25 273.4 4 ↓
Hi High (pH 8-9.5) 2.84 9.43 -5.08 0 3 0 24 272.392 4 ↓

Analogs

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Popular Name: (1R,5S)-8-(4-morpholinophenyl)-8-azabicyclo[3.2.1]octan-3-one (1R,5S)-8-(4-morpholinophenyl)-8…

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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) 1.94 7.09 -6.71 0 4 0 33 286.375 2 ↓
Lo Low (pH 4.5-6) 1.94 7.73 -36.43 1 4 1 34 287.383 2 ↓

Analogs

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Popular Name: (1S,5R)-8-(3,3,3-trifluoropropyl)-8-azabicyclo[3.2.1]octan-3-one (1S,5R)-8-(3,3,3-trifluoropropyl…

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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) 1.49 4.13 -5.95 0 2 0 20 221.222 3 ↓
Mid Mid (pH 6-8) 1.49 6.28 -46.81 1 2 1 22 222.23 3 ↓

Analogs

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Popular Name: (1R,5S)-8-[(1S)-2-cyclopropyl-1-methyl-ethyl]-8-azabicyclo[3.2.1]octan-3-one (1R,5S)-8-[(1S)-2-cyclopropyl-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) 1.76 7.64 -36.71 1 2 1 22 208.325 3 ↓
Hi High (pH 8-9.5) 1.76 5.58 -3.84 0 2 0 20 207.317 3 ↓

Analogs

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Popular Name: (1R,5S)-8-[(1R)-2-cyclopropyl-1-methyl-ethyl]-8-azabicyclo[3.2.1]octan-3-one (1R,5S)-8-[(1R)-2-cyclopropyl-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) 1.76 7.88 -38.7 1 2 1 22 208.325 3 ↓
Hi High (pH 8-9.5) 1.76 5.86 -3.96 0 2 0 20 207.317 3 ↓

Analogs

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Popular Name: (1R,5S)-8-[(1S)-1-(cyclopropylmethyl)propyl]-8-azabicyclo[3.2.1]octan-3-one (1R,5S)-8-[(1S)-1-(cyclopropylme…

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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) 2.30 7.85 -36.55 1 2 1 22 222.352 4 ↓
Hi High (pH 8-9.5) 2.30 5.84 -3.91 0 2 0 20 221.344 4 ↓

Analogs

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Popular Name: (1R,5S)-8-[(1R)-1-(cyclopropylmethyl)propyl]-8-azabicyclo[3.2.1]octan-3-one (1R,5S)-8-[(1R)-1-(cyclopropylme…

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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) 2.30 7.92 -37.69 1 2 1 22 222.352 4 ↓
Hi High (pH 8-9.5) 2.30 5.94 -3.77 0 2 0 20 221.344 4 ↓

Analogs

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Popular Name: (1R,5S)-8-(1,1-dimethylprop-2-ynyl)-8-azabicyclo[3.2.1]octan-3-one (1R,5S)-8-(1,1-dimethylprop-2-yn…

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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) 1.26 4.08 -4.73 0 2 0 20 191.274 1 ↓
Lo Low (pH 4.5-6) 1.26 6.14 -36.64 1 2 1 22 192.282 1 ↓

Analogs

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Popular Name: (1R,5S)-8-but-3-ynyl-8-azabicyclo[3.2.1]octan-3-one (1R,5S)-8-but-3-ynyl-8-azabicycl…

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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) 0.72 6.42 -43.31 1 2 1 22 178.255 2 ↓
Mid Mid (pH 6-8) 0.72 4.29 -5.33 0 2 0 20 177.247 2 ↓

Analogs

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Popular Name: (1R,5S)-8-[(1S)-1-cyclopentylethyl]-8-azabicyclo[3.2.1]octan-3-one (1R,5S)-8-[(1S)-1-cyclopentyleth…

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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 8.07 -38.03 1 2 1 22 222.352 2 ↓
Hi High (pH 8-9.5) 2.40 6.11 -3.62 0 2 0 20 221.344 2 ↓

Analogs

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Popular Name: (1R,5S)-8-[(1R)-1-cyclopentylethyl]-8-azabicyclo[3.2.1]octan-3-one (1R,5S)-8-[(1R)-1-cyclopentyleth…

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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 7.68 -39.09 1 2 1 22 222.352 2 ↓
Hi High (pH 8-9.5) 2.40 5.82 -3.81 0 2 0 20 221.344 2 ↓

Parameters Provided:

ring.id = 137602
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 = 137602 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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