UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-(4,5-dimethyl-1H-benzimidazol-2-yl)-1-(1-oxa-8-azaspiro[4.5]decan-8-yl)propan-1-one 3-(4,5-dimethyl-1H-benzimidazol-…

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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 8.35 -10.3 1 5 0 58 341.455 3 ↓
Lo Low (pH 4.5-6) 2.98 8.76 -33.73 2 5 1 59 342.463 3 ↓

Analogs

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Popular Name: 2-[methyl(3-pyridylmethyl)amino]-1-(1-oxa-8-azaspiro[4.5]decan-8-yl)ethanone 2-[methyl(3-pyridylmethyl)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) 0.70 7.15 -46.52 1 5 1 47 304.414 4 ↓
Mid Mid (pH 6-8) 0.70 4.89 -11.47 0 5 0 46 303.406 4 ↓

Analogs

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Popular Name: 2-(8-methylimidazo[1,2-a]pyridin-3-yl)-1-(1-oxa-8-azaspiro[4.5]decan-8-yl)ethanone 2-(8-methylimidazo[1,2-a]pyridin…

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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) 2.32 8.62 -16.44 0 5 0 47 313.401 2 ↓
Mid Mid (pH 6-8) 2.32 9.12 -31.72 1 5 1 48 314.409 2 ↓

Analogs

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Popular Name: 1-oxa-8-azaspiro[4.5]decan-8-yl-(2-phenoxyphenyl)methanone 1-oxa-8-azaspiro[4.5]decan-8-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) 4.01 9.75 -12.68 0 4 0 39 337.419 3 ↓

Analogs

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Popular Name: 1-oxa-8-azaspiro[4.5]decan-8-yl-(4-phenyl-1H-imidazol-5-yl)methanone 1-oxa-8-azaspiro[4.5]decan-8-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) 2.12 7.65 -10.94 1 5 0 58 311.385 2 ↓
Lo Low (pH 4.5-6) 2.12 8.19 -41.8 2 5 1 59 312.393 2 ↓

Analogs

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Popular Name: 1-oxa-8-azaspiro[4.5]decan-8-yl-[1-[[(3R)-3-piperidyl]methyl]triazol-4-yl]methanone 1-oxa-8-azaspiro[4.5]decan-8-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) 0.58 5.38 -51.3 2 7 1 77 334.444 3 ↓

Analogs

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Popular Name: 1-oxa-8-azaspiro[4.5]decan-8-yl-[1-[[(3S)-3-piperidyl]methyl]triazol-4-yl]methanone 1-oxa-8-azaspiro[4.5]decan-8-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) 0.58 5.29 -51.58 2 7 1 77 334.444 3 ↓

Analogs

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Popular Name: (2-methyl-4-phenyl-3-pyridyl)-(1-oxa-8-azaspiro[4.5]decan-8-yl)methanone (2-methyl-4-phenyl-3-pyridyl)-(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) 2.62 9.23 -9.66 0 4 0 42 336.435 2 ↓

Analogs

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Popular Name: N-[[(2S)-8-[(4-isobutylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide N-[[(2S)-8-[(4-isobutylphenyl)me…

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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) 3.95 0.09 -40.59 2 5 1 56 411.566 7 ↓

Analogs

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Popular Name: N-[[(2R)-8-[(4-isobutylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide N-[[(2R)-8-[(4-isobutylphenyl)me…

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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) 3.95 0 -44.25 2 5 1 56 411.566 7 ↓

Analogs

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Popular Name: (2S)-N-[[(2S)-8-[(4-ethoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]tetrahydrofuran-2-ca (2S)-N-[[(2S)-8-[(4-ethoxyphenyl…

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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 -2.33 -50.54 2 6 1 61 403.543 7 ↓

Analogs

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Popular Name: (2S)-N-[[(2R)-8-[(4-ethoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]tetrahydrofuran-2-ca (2S)-N-[[(2R)-8-[(4-ethoxyphenyl…

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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 -2.4 -53.43 2 6 1 61 403.543 7 ↓

Analogs

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Popular Name: (2R)-N-[[(2S)-8-[(4-ethoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]tetrahydrofuran-2-ca (2R)-N-[[(2S)-8-[(4-ethoxyphenyl…

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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 -2.41 -51.75 2 6 1 61 403.543 7 ↓

Analogs

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Popular Name: (2R)-N-[[(2R)-8-[(4-ethoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]tetrahydrofuran-2-ca (2R)-N-[[(2R)-8-[(4-ethoxyphenyl…

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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 -2.31 -53.82 2 6 1 61 403.543 7 ↓

Analogs

11813241
11813241

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Popular Name: 4-methyl-N-[[(3S)-8-(3-methylbutanoyl)-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]benzamide 4-methyl-N-[[(3S)-8-(3-methylbut…

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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) 3.42 -1.32 -12.61 1 5 0 59 372.509 5 ↓

Analogs

11813239
11813239

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Popular Name: 4-methyl-N-[[(3R)-8-(3-methylbutanoyl)-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]benzamide 4-methyl-N-[[(3R)-8-(3-methylbut…

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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) 3.42 -1.26 -14.83 1 5 0 59 372.509 5 ↓

Analogs

11813253
11813253

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Popular Name: 2-methyl-N-[[(3S)-8-(3-methylbutanoyl)-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]-5-propyl-pyrazole-3-c 2-methyl-N-[[(3S)-8-(3-methylbut…

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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 -1.51 -12.73 1 7 0 76 404.555 7 ↓

Analogs

11813250
11813250

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Popular Name: 2-methyl-N-[[(3R)-8-(3-methylbutanoyl)-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]-5-propyl-pyrazole-3-c 2-methyl-N-[[(3R)-8-(3-methylbut…

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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 -1.38 -14.8 1 7 0 76 404.555 7 ↓

Analogs

11813987
11813987

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Popular Name: N-[[(2S)-8-[(3-ethoxy-4-methoxy-phenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methyl-pyra N-[[(2S)-8-[(3-ethoxy-4-methoxy-…

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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) 2.11 -1.03 -53.4 2 8 1 79 443.568 8 ↓

Analogs

11813985
11813985

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Popular Name: N-[[(2R)-8-[(3-ethoxy-4-methoxy-phenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methyl-pyra N-[[(2R)-8-[(3-ethoxy-4-methoxy-…

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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) 2.11 -1.08 -53.81 2 8 1 79 443.568 8 ↓

Analogs

11814047
11814047

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Popular Name: N-[[(3S)-8-[(4-methoxy-1-naphthyl)methyl]-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]-2-methyl-thiazole- N-[[(3S)-8-[(4-methoxy-1-naphthy…

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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) 3.45 -2.4 -45.28 2 6 1 65 466.627 6 ↓

Analogs

11814045
11814045

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Popular Name: N-[[(3R)-8-[(4-methoxy-1-naphthyl)methyl]-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]-2-methyl-thiazole- N-[[(3R)-8-[(4-methoxy-1-naphthy…

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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) 3.45 -2.49 -44.53 2 6 1 65 466.627 6 ↓

Analogs

11814101
11814101

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Popular Name: N-[[(2S)-8-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzam N-[[(2S)-8-[(1-ethyl-3,5-dimethy…

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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) 2.59 -1.02 -49.42 2 6 1 61 411.57 6 ↓

Analogs

11814099
11814099

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Popular Name: N-[[(2R)-8-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzam N-[[(2R)-8-[(1-ethyl-3,5-dimethy…

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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) 2.59 -0.88 -48.76 2 6 1 61 411.57 6 ↓

Analogs

11814238
11814238

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Popular Name: N-[[(3S)-8-[(4-chlorophenyl)methyl]-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]-1-methyl-pyrazole-3-carb N-[[(3S)-8-[(4-chlorophenyl)meth…

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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) 2.76 -1.48 -49.04 2 6 1 61 403.934 5 ↓

Analogs

11814236
11814236

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Popular Name: N-[[(3R)-8-[(4-chlorophenyl)methyl]-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]-1-methyl-pyrazole-3-carb N-[[(3R)-8-[(4-chlorophenyl)meth…

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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) 2.76 -1.44 -49.85 2 6 1 61 403.934 5 ↓

Analogs

11814272
11814272

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Popular Name: N-[[(3S)-8-[(2,5-difluorophenyl)methyl]-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]-2,5-dimethyl-pyrazol N-[[(3S)-8-[(2,5-difluorophenyl)…

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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) 2.56 -0.03 -47.7 2 6 1 61 419.496 5 ↓

Analogs

11814270
11814270

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Popular Name: N-[[(3R)-8-[(2,5-difluorophenyl)methyl]-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]-2,5-dimethyl-pyrazol N-[[(3R)-8-[(2,5-difluorophenyl)…

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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) 2.56 0.34 -43.54 2 6 1 61 419.496 5 ↓

Analogs

11814310
11814310
11814311
11814311
11814312
11814312

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Popular Name: (2S)-N-[[(2S)-8-(3-phenylpropyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]tetrahydrofuran-2-carboxamid (2S)-N-[[(2S)-8-(3-phenylpropyl)…

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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 -2.28 -51.4 2 5 1 52 387.544 7 ↓

Analogs

11814311
11814311
11814312
11814312
11814307
11814307

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Popular Name: (2S)-N-[[(2R)-8-(3-phenylpropyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]tetrahydrofuran-2-carboxamid (2S)-N-[[(2R)-8-(3-phenylpropyl)…

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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 -2.06 -51.47 2 5 1 52 387.544 7 ↓

Analogs

11814312
11814312
11814307
11814307
11814310
11814310

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Popular Name: (2R)-N-[[(2S)-8-(3-phenylpropyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]tetrahydrofuran-2-carboxamid (2R)-N-[[(2S)-8-(3-phenylpropyl)…

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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 -2.08 -50.11 2 5 1 52 387.544 7 ↓

Analogs

11814307
11814307
11814310
11814310

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Popular Name: (2R)-N-[[(2R)-8-(3-phenylpropyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]tetrahydrofuran-2-carboxamid (2R)-N-[[(2R)-8-(3-phenylpropyl)…

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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 -2.07 -52.4 2 5 1 52 387.544 7 ↓

Analogs

11814380
11814380

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Popular Name: 2-methoxy-N-[[(2S)-8-[[3-(o-tolyl)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide 2-methoxy-N-[[(2S)-8-[[3-(o-toly…

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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) 3.84 -0.85 -48.93 2 5 1 52 423.577 7 ↓

Analogs

11814377
11814377

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Popular Name: 2-methoxy-N-[[(2R)-8-[[3-(o-tolyl)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide 2-methoxy-N-[[(2R)-8-[[3-(o-toly…

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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) 3.84 -0.93 -51.37 2 5 1 52 423.577 7 ↓

Analogs

11814538
11814538
11872074
11872074
11872075
11872075

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Popular Name: 2-methyl-N-[[(2S)-8-[(2,4,5-trimethylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]thiazole- 2-methyl-N-[[(2S)-8-[(2,4,5-trim…

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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) 3.48 -1.72 -40.53 2 5 1 56 428.622 5 ↓

Analogs

11872074
11872074
11872075
11872075
11814537
11814537

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Popular Name: 2-methyl-N-[[(2R)-8-[(2,4,5-trimethylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]thiazole- 2-methyl-N-[[(2R)-8-[(2,4,5-trim…

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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) 3.48 -1.72 -39.17 2 5 1 56 428.622 5 ↓

Analogs

11814741
11814741

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Popular Name: N-[[(3S)-8-[(2,3-dimethoxyphenyl)methyl]-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]-2-methyl-thiazole-4 N-[[(3S)-8-[(2,3-dimethoxyphenyl…

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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 -2.09 -39.57 2 7 1 74 446.593 7 ↓

Analogs

11814739
11814739

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Popular Name: N-[[(3R)-8-[(2,3-dimethoxyphenyl)methyl]-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]-2-methyl-thiazole-4 N-[[(3R)-8-[(2,3-dimethoxyphenyl…

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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 -2.23 -38.93 2 7 1 74 446.593 7 ↓

Analogs

11814882
11814882

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Popular Name: 2-methyl-N-[[(3S)-8-(5-quinolylmethyl)-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]pyrazole-3-carboxamide 2-methyl-N-[[(3S)-8-(5-quinolylm…

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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) 2.34 -2.19 -55.54 2 7 1 73 420.537 5 ↓

Analogs

11814880
11814880

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Popular Name: 2-methyl-N-[[(3R)-8-(5-quinolylmethyl)-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]pyrazole-3-carboxamide 2-methyl-N-[[(3R)-8-(5-quinolylm…

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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) 2.34 -2.24 -55.53 2 7 1 73 420.537 5 ↓

Analogs

11815482
11815482

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Popular Name: 2-methyl-N-[[(3S)-8-(2-naphthylmethyl)-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]pyrazole-3-carboxamide 2-methyl-N-[[(3S)-8-(2-naphthylm…

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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) 3.27 -1.27 -49.81 2 6 1 61 419.549 5 ↓

Analogs

11815481
11815481

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Popular Name: 2-methyl-N-[[(3R)-8-(2-naphthylmethyl)-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]pyrazole-3-carboxamide 2-methyl-N-[[(3R)-8-(2-naphthylm…

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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) 3.27 -1.22 -50.84 2 6 1 61 419.549 5 ↓

Analogs

11815498
11815498

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Popular Name: N-[[(2S)-8-[(1,3-dimethylpyrazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide N-[[(2S)-8-[(1,3-dimethylpyrazol…

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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 -0.84 -49.89 2 6 1 61 383.516 5 ↓

Analogs

11815496
11815496

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Popular Name: N-[[(2R)-8-[(1,3-dimethylpyrazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide N-[[(2R)-8-[(1,3-dimethylpyrazol…

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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 -0.8 -49.39 2 6 1 61 383.516 5 ↓

Analogs

11838434
11838434

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Popular Name: 2-(2-methoxyphenoxy)-N-[[(3S)-8-(2-thienylsulfonyl)-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]acetamide 2-(2-methoxyphenoxy)-N-[[(3S)-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) 2.44 -6.65 -22.35 1 8 0 94 480.608 8 ↓

Analogs

11838432
11838432

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Popular Name: 2-(2-methoxyphenoxy)-N-[[(3R)-8-(2-thienylsulfonyl)-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]acetamide 2-(2-methoxyphenoxy)-N-[[(3R)-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) 2.44 -6.57 -22.34 1 8 0 94 480.608 8 ↓

Analogs

11838501
11838501

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Popular Name: N-[[(3S)-8-(4-fluorobenzoyl)-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]-4-isopropoxy-benzamide N-[[(3S)-8-(4-fluorobenzoyl)-4-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) 3.52 -1.1 -13.63 1 6 0 68 454.542 6 ↓

Analogs

11838500
11838500

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Popular Name: N-[[(3R)-8-(4-fluorobenzoyl)-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]-4-isopropoxy-benzamide N-[[(3R)-8-(4-fluorobenzoyl)-4-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) 3.52 -1.1 -15.72 1 6 0 68 454.542 6 ↓

Analogs

11838511
11838511

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Popular Name: N-[[(3S)-8-(cyclopropanecarbonyl)-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]-5-methyl-1H-indole-2-carbo N-[[(3S)-8-(cyclopropanecarbonyl…

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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) 3.07 -3.45 -14.19 2 6 0 74 395.503 4 ↓

Analogs

11838510
11838510

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Popular Name: N-[[(3R)-8-(cyclopropanecarbonyl)-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]-5-methyl-1H-indole-2-carbo N-[[(3R)-8-(cyclopropanecarbonyl…

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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) 3.07 -3.37 -16.21 2 6 0 74 395.503 4 ↓

Parameters Provided:

ring.id = 26302
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 = 26302 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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