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ZINC Item Suppliers, Protomers, & Similar Substances

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

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

11840252
11840252

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Popular Name: 2-ethyl-N-[[(3S)-8-[(2-fluorophenyl)methyl]-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]-5-methyl-pyrazol 2-ethyl-N-[[(3S)-8-[(2-fluorophe…

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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) 2.80 -0.42 -42.83 2 6 1 61 415.533 6 ↓

Analogs

11840250
11840250

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Popular Name: 2-ethyl-N-[[(3R)-8-[(2-fluorophenyl)methyl]-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]-5-methyl-pyrazol 2-ethyl-N-[[(3R)-8-[(2-fluorophe…

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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) 2.80 -0.47 -44.25 2 6 1 61 415.533 6 ↓

Analogs

11841712
11841712

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Popular Name: N-[[(3S)-8-[(2,5-difluorophenyl)methyl]-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]-2-methyl-pyrazole-3- 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) 2.34 -0.16 -47.65 2 6 1 61 405.469 5 ↓

Analogs

11841711
11841711

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Popular Name: N-[[(3R)-8-[(2,5-difluorophenyl)methyl]-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]-2-methyl-pyrazole-3- 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) 2.34 -0.09 -48.64 2 6 1 61 405.469 5 ↓

Analogs

11973085
11973085

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Popular Name: N-[[(2S)-8-[(4-isopropylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methyl-pyrazole-3-c N-[[(2S)-8-[(4-isopropylphenyl)m…

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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) 3.59 -0.58 -46.12 2 6 1 61 411.57 6 ↓

Analogs

11973077
11973077

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Popular Name: N-[[(2R)-8-[(4-isopropylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methyl-pyrazole-3-c N-[[(2R)-8-[(4-isopropylphenyl)m…

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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) 3.59 -0.49 -43.57 2 6 1 61 411.57 6 ↓

Analogs

11975269
11975269

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Popular Name: N-[[(3S)-8-[(5-chloro-2-hydroxy-phenyl)methyl]-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]-2-methyl-pyra N-[[(3S)-8-[(5-chloro-2-hydroxy-…

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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) 2.68 -3.34 -45.37 3 7 1 81 419.933 5 ↓

Analogs

11975262
11975262

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Popular Name: N-[[(3R)-8-[(5-chloro-2-hydroxy-phenyl)methyl]-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]-2-methyl-pyra N-[[(3R)-8-[(5-chloro-2-hydroxy-…

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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) 2.68 -3.19 -48.97 3 7 1 81 419.933 5 ↓

Analogs

11976815
11976815

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Popular Name: N-[[(3S)-8-[(2-fluoro-5-methoxy-phenyl)methyl]-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]-2,5-dimethyl- N-[[(3S)-8-[(2-fluoro-5-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) 2.45 -0.76 -45.74 2 7 1 70 431.532 6 ↓

Analogs

11976809
11976809

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Popular Name: N-[[(3R)-8-[(2-fluoro-5-methoxy-phenyl)methyl]-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]-2,5-dimethyl- N-[[(3R)-8-[(2-fluoro-5-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) 2.45 -0.65 -42.18 2 7 1 70 431.532 6 ↓

Analogs

11995363
11995363

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Popular Name: N-[[(3S)-8-[(4-fluoro-3-methoxy-phenyl)methyl]-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]-2,5-dimethyl- N-[[(3S)-8-[(4-fluoro-3-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) 2.45 -0.49 -56.32 2 7 1 70 431.532 6 ↓

Analogs

11995362
11995362

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Popular Name: N-[[(3R)-8-[(4-fluoro-3-methoxy-phenyl)methyl]-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]-2,5-dimethyl- N-[[(3R)-8-[(4-fluoro-3-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) 2.45 -0.38 -53.46 2 7 1 70 431.532 6 ↓

Analogs

11995684
11995684

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Popular Name: 2,5-dimethyl-N-[[(2S)-8-(o-tolylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyrazole-3-carboxamid 2,5-dimethyl-N-[[(2S)-8-(o-tolyl…

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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) 2.70 -0.64 -44.01 2 6 1 61 397.543 5 ↓

Analogs

11995683
11995683

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Popular Name: 2,5-dimethyl-N-[[(2R)-8-(o-tolylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyrazole-3-carboxamid 2,5-dimethyl-N-[[(2R)-8-(o-tolyl…

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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) 2.70 -0.69 -46.95 2 6 1 61 397.543 5 ↓

Analogs

11995723
11995723

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Popular Name: N-[[(3S)-8-[(2,3-difluorophenyl)methyl]-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]-2,5-dimethyl-pyrazol N-[[(3S)-8-[(2,3-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) 2.54 -0.04 -51.49 2 6 1 61 419.496 5 ↓

Analogs

11995722
11995722

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Popular Name: N-[[(3R)-8-[(2,3-difluorophenyl)methyl]-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]-2,5-dimethyl-pyrazol N-[[(3R)-8-[(2,3-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) 2.54 0.29 -49.39 2 6 1 61 419.496 5 ↓

Analogs

11995939
11995939
11868388
11868388
11868391
11868391

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

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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) 2.89 -0.58 -48.52 2 7 1 70 427.569 6 ↓

Analogs

11995938
11995938
11868388
11868388

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

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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) 2.89 -0.49 -45.76 2 7 1 70 427.569 6 ↓

Analogs

11996218
11996218

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Popular Name: N-[[(3S)-8-[(4-fluorophenyl)methyl]-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]-2,5-dimethyl-pyrazole-3- N-[[(3S)-8-[(4-fluorophenyl)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) 2.47 -0.5 -50.07 2 6 1 61 401.506 5 ↓

Analogs

11996217
11996217

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Popular Name: N-[[(3R)-8-[(4-fluorophenyl)methyl]-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]-2,5-dimethyl-pyrazole-3- N-[[(3R)-8-[(4-fluorophenyl)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) 2.47 -0.41 -49.06 2 6 1 61 401.506 5 ↓

Analogs

11996272
11996272

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Popular Name: N-[[(3S)-8-[(3-chlorophenyl)methyl]-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]-2,5-dimethyl-pyrazole-3- N-[[(3S)-8-[(3-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) 2.96 -1.4 -50.02 2 6 1 61 417.961 5 ↓

Analogs

11996271
11996271

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Popular Name: N-[[(3R)-8-[(3-chlorophenyl)methyl]-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]-2,5-dimethyl-pyrazole-3- N-[[(3R)-8-[(3-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) 2.96 -1.29 -46.55 2 6 1 61 417.961 5 ↓

Analogs

12005088
12005088

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Popular Name: N-[[(2S)-8-[(3-ethoxy-2-hydroxy-phenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2,5-dimethyl- N-[[(2S)-8-[(3-ethoxy-2-hydroxy-…

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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) 2.22 -2.73 -45.56 3 8 1 90 443.568 7 ↓

Analogs

12005084
12005084

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Popular Name: N-[[(2R)-8-[(3-ethoxy-2-hydroxy-phenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2,5-dimethyl- N-[[(2R)-8-[(3-ethoxy-2-hydroxy-…

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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) 2.22 -2.62 -43.15 3 8 1 90 443.568 7 ↓

Analogs

12020250
12020250

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Popular Name: N-[[(3S)-8-[(2,3-dimethoxyphenyl)methyl]-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]-2,5-dimethyl-pyrazo 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) 2.12 -0.68 -44.76 2 8 1 79 443.568 7 ↓

Analogs

12020244
12020244

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Popular Name: N-[[(3R)-8-[(2,3-dimethoxyphenyl)methyl]-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]-2,5-dimethyl-pyrazo 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) 2.12 -0.49 -46.17 2 8 1 79 443.568 7 ↓

Analogs

12022024
12022024

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Popular Name: N-[[(3S)-8-[(2-chloro-3,4-dimethoxy-phenyl)methyl]-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]-2,5-dimet N-[[(3S)-8-[(2-chloro-3,4-dimeth…

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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) 2.75 -0.73 -46.2 2 8 1 79 478.013 7 ↓

Analogs

12022017
12022017

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Popular Name: N-[[(3R)-8-[(2-chloro-3,4-dimethoxy-phenyl)methyl]-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]-2,5-dimet N-[[(3R)-8-[(2-chloro-3,4-dimeth…

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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) 2.75 -0.63 -49.47 2 8 1 79 478.013 7 ↓

Analogs

12022511
12022511

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

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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 -0.46 -48.45 2 7 1 70 441.596 6 ↓

Analogs

12022505
12022505

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

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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 -0.35 -45.63 2 7 1 70 441.596 6 ↓

Analogs

12023084
12023084

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Popular Name: N-[[(3S)-8-[(4-hydroxy-3-methoxy-phenyl)methyl]-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]-2,5-dimethyl N-[[(3S)-8-[(4-hydroxy-3-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) 1.64 -2.86 -53.38 3 8 1 90 429.541 6 ↓

Analogs

12023074
12023074

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Popular Name: N-[[(3R)-8-[(4-hydroxy-3-methoxy-phenyl)methyl]-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]-2,5-dimethyl N-[[(3R)-8-[(4-hydroxy-3-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) 1.64 -2.75 -50.37 3 8 1 90 429.541 6 ↓

Analogs

12023676
12023676

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.18 0.93 -49.36 2 6 1 61 451.513 6 ↓

Analogs

12023670
12023670

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.18 1.02 -49.16 2 6 1 61 451.513 6 ↓

Analogs

12037881
12037881
14883331
14883331
14883333
14883333

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.94 -0.56 -48.16 2 9 1 88 473.594 8 ↓

Analogs

14883331
14883331
14883333
14883333
12037877
12037877

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.94 -0.66 -45.68 2 9 1 88 473.594 8 ↓

Analogs

12041677
12041677

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Popular Name: N-[[(2S)-8-[(4-isobutylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methyl-pyrazole-3-ca 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) 3.38 -0.49 -46.04 2 6 1 61 425.597 7 ↓

Analogs

12041673
12041673

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Popular Name: N-[[(2R)-8-[(4-isobutylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methyl-pyrazole-3-ca 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) 3.38 -0.41 -43.51 2 6 1 61 425.597 7 ↓

Parameters Provided:

ring.id = 47035
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 = 47035 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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