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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

11838758
11838758

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Popular Name: N-[[(3S)-8-[(2-fluorophenyl)methyl]-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]-4-isopropoxy-benzamide N-[[(3S)-8-[(2-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) 4.31 0.01 -41.98 2 5 1 52 441.567 7 ↓

Analogs

11838757
11838757

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Popular Name: N-[[(3R)-8-[(2-fluorophenyl)methyl]-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]-4-isopropoxy-benzamide N-[[(3R)-8-[(2-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) 4.31 -0.25 -44.8 2 5 1 52 441.567 7 ↓

Analogs

11839367
11839367

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Popular Name: N-[[(3S)-8-[(2-fluorophenyl)methyl]-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]-3,5-dimethoxy-benzamide N-[[(3S)-8-[(2-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) 3.55 -0.42 -43.16 2 6 1 61 443.539 7 ↓

Analogs

11839366
11839366

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Popular Name: N-[[(3R)-8-[(2-fluorophenyl)methyl]-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]-3,5-dimethoxy-benzamide N-[[(3R)-8-[(2-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) 3.55 -0.55 -45.33 2 6 1 61 443.539 7 ↓

Analogs

11839558
11839558

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Popular Name: N-[[(2S)-8-[(3-ethoxy-4-hydroxy-phenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide N-[[(2S)-8-[(3-ethoxy-4-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) 3.11 -2.79 -53.68 3 6 1 72 425.549 7 ↓

Analogs

11839556
11839556

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Popular Name: N-[[(2R)-8-[(3-ethoxy-4-hydroxy-phenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide N-[[(2R)-8-[(3-ethoxy-4-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) 3.11 -2.69 -53.03 3 6 1 72 425.549 7 ↓

Analogs

11840489
11840489

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Popular Name: N-[[(2S)-8-[(3,5-dimethoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide N-[[(2S)-8-[(3,5-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) 3.44 -1.06 -48.05 2 6 1 61 425.549 7 ↓

Analogs

11840486
11840486

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Popular Name: N-[[(2R)-8-[(3,5-dimethoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide N-[[(2R)-8-[(3,5-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) 3.44 -1.05 -48.01 2 6 1 61 425.549 7 ↓

Analogs

11840583
11840583

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

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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) 4.26 0.97 -51.41 2 4 1 43 433.494 6 ↓

Analogs

11840581
11840581

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

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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) 4.26 1.08 -50.94 2 4 1 43 433.494 6 ↓

Analogs

11973272
11973272
14883012
14883012
14883013
14883013

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Popular Name: 3-fluoro-N-[[(2S)-8-[(4-hydroxy-2-methoxy-phenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benz 3-fluoro-N-[[(2S)-8-[(4-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) 3.04 -2.28 -42.18 3 6 1 72 429.512 6 ↓

Analogs

14883012
14883012
14883013
14883013
11973264
11973264

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Popular Name: 3-fluoro-N-[[(2R)-8-[(4-hydroxy-2-methoxy-phenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benz 3-fluoro-N-[[(2R)-8-[(4-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) 3.04 -2.19 -46.14 3 6 1 72 429.512 6 ↓

Analogs

11995158
11995158

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Popular Name: N-[[(2S)-8-[(2,6-dimethoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3-fluoro-benzamide N-[[(2S)-8-[(2,6-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) 3.55 -0.11 -34.09 2 6 1 61 443.539 7 ↓

Analogs

11995157
11995157

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Popular Name: N-[[(2R)-8-[(2,6-dimethoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3-fluoro-benzamide N-[[(2R)-8-[(2,6-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) 3.55 0.03 -39.06 2 6 1 61 443.539 7 ↓

Analogs

11995276
11995276

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Popular Name: 2-dimethylamino-N-[[(3S)-8-[(2-methoxyphenyl)methyl]-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]benzamid 2-dimethylamino-N-[[(3S)-8-[(2-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) 3.46 -0.99 -41.72 2 6 1 55 438.592 7 ↓

Analogs

11995275
11995275

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Popular Name: 2-dimethylamino-N-[[(3R)-8-[(2-methoxyphenyl)methyl]-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]benzamid 2-dimethylamino-N-[[(3R)-8-[(2-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) 3.46 -0.91 -39.06 2 6 1 55 438.592 7 ↓

Analogs

11995814
11995814

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Popular Name: N-[[(3S)-8-[(2-hydroxyphenyl)methyl]-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]benzamide N-[[(3S)-8-[(2-hydroxyphenyl)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) 3.33 -3.03 -44.41 3 5 1 63 381.496 5 ↓

Analogs

11995813
11995813

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Popular Name: N-[[(3R)-8-[(2-hydroxyphenyl)methyl]-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]benzamide N-[[(3R)-8-[(2-hydroxyphenyl)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) 3.33 -2.79 -45.25 3 5 1 63 381.496 5 ↓

Analogs

11996531
11996531

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Popular Name: N-[[(2S)-8-[(3-methoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide N-[[(2S)-8-[(3-methoxyphenyl)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) 3.43 -1.17 -47.28 2 5 1 52 395.523 6 ↓

Analogs

11996530
11996530

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Popular Name: N-[[(2R)-8-[(3-methoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide N-[[(2R)-8-[(3-methoxyphenyl)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) 3.43 -1.07 -46.76 2 5 1 52 395.523 6 ↓

Analogs

12003036
12003036

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Popular Name: N-[[(2S)-8-[(2-hydroxy-5-methoxy-phenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide N-[[(2S)-8-[(2-hydroxy-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) 3.37 -2.87 -45.3 3 6 1 72 411.522 6 ↓

Analogs

12003030
12003030

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Popular Name: N-[[(2R)-8-[(2-hydroxy-5-methoxy-phenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide N-[[(2R)-8-[(2-hydroxy-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) 3.37 -2.75 -47.62 3 6 1 72 411.522 6 ↓

Analogs

12022906
12022906

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Popular Name: 3-chloro-4-fluoro-N-[[(2S)-8-[(2-methoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzam 3-chloro-4-fluoro-N-[[(2S)-8-[(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) 4.17 -0.48 -39.24 2 5 1 52 447.958 6 ↓

Analogs

12022898
12022898

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Popular Name: 3-chloro-4-fluoro-N-[[(2R)-8-[(2-methoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzam 3-chloro-4-fluoro-N-[[(2R)-8-[(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) 4.17 -0.53 -39.85 2 5 1 52 447.958 6 ↓

Analogs

12024471
12024471

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Popular Name: N-[[(2S)-8-[(2-chloro-4,5-dimethoxy-phenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide N-[[(2S)-8-[(2-chloro-4,5-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) 3.65 -0.73 -47.23 2 6 1 61 459.994 7 ↓

Analogs

12024463
12024463

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Popular Name: N-[[(2R)-8-[(2-chloro-4,5-dimethoxy-phenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide N-[[(2R)-8-[(2-chloro-4,5-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) 3.65 -0.74 -47.26 2 6 1 61 459.994 7 ↓

Analogs

12024894
12024894

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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) 3.57 -0.06 -56.73 2 6 1 69 423.533 7 ↓

Analogs

12024890
12024890

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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) 3.57 0.04 -56.91 2 6 1 69 423.533 7 ↓

Analogs

12036550
12036550

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Popular Name: N-[[(3S)-8-[(3-chlorophenyl)methyl]-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]benzamide 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) 4.05 -1.34 -49.06 2 4 1 43 399.942 5 ↓

Analogs

12036547
12036547

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Popular Name: N-[[(3R)-8-[(3-chlorophenyl)methyl]-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]benzamide 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) 4.05 -1.24 -48.52 2 4 1 43 399.942 5 ↓

Analogs

12041224
12041224

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

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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) 4.22 -0.58 -46.26 2 4 1 43 393.551 5 ↓

Analogs

12041222
12041222

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

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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) 4.22 -0.48 -45.67 2 4 1 43 393.551 5 ↓

Parameters Provided:

ring.id = 57860
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 57860 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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