ZINC 12

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ZINC Item

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11813985

Analogs

11813987

Draw Identity 99% 90% 80% 70%

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 (Å²)	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	↓ MOL2 SDF SMILES Flexibase

11813987

Analogs

11813985

Draw Identity 99% 90% 80% 70%

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 (Å²)	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	↓ MOL2 SDF SMILES Flexibase

11814270

Analogs

11814272

Draw Identity 99% 90% 80% 70%

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 (Å²)	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	↓ MOL2 SDF SMILES Flexibase

11814272

Analogs

11814270

Draw Identity 99% 90% 80% 70%

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 (Å²)	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	↓ MOL2 SDF SMILES Flexibase

11840250

Analogs

11840252

Draw Identity 99% 90% 80% 70%

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 (Å²)	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	↓ MOL2 SDF SMILES Flexibase

11840252

Analogs

11840250

Draw Identity 99% 90% 80% 70%

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 (Å²)	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	↓ MOL2 SDF SMILES Flexibase

11841711

Analogs

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 (Å²)	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	↓ MOL2 SDF SMILES Flexibase

11841712

Analogs

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 (Å²)	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	↓ MOL2 SDF SMILES Flexibase

11973077

Analogs

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 (Å²)	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	↓ MOL2 SDF SMILES Flexibase

11973085

Analogs

11973077

Draw Identity 99% 90% 80% 70%

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 (Å²)	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	↓ MOL2 SDF SMILES Flexibase

11975262

Analogs

11975269

Draw Identity 99% 90% 80% 70%

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 (Å²)	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	↓ MOL2 SDF SMILES Flexibase

11975269

Analogs

11975262

Draw Identity 99% 90% 80% 70%

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 (Å²)	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	↓ MOL2 SDF SMILES Flexibase

11976809

Analogs

11976815

Draw Identity 99% 90% 80% 70%

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 (Å²)	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	↓ MOL2 SDF SMILES Flexibase

11976815

Analogs

11976809

Draw Identity 99% 90% 80% 70%

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 (Å²)	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	↓ MOL2 SDF SMILES Flexibase

11995362

Analogs

11995363

Draw Identity 99% 90% 80% 70%

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 (Å²)	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	↓ MOL2 SDF SMILES Flexibase

11995363

Analogs

11995362

Draw Identity 99% 90% 80% 70%

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 (Å²)	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	↓ MOL2 SDF SMILES Flexibase

11995683

Analogs

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 (Å²)	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	↓ MOL2 SDF SMILES Flexibase

11995684

Analogs

11995683

Draw Identity 99% 90% 80% 70%

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 (Å²)	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	↓ MOL2 SDF SMILES Flexibase

11995722

Analogs

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 (Å²)	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	↓ MOL2 SDF SMILES Flexibase

11995723

Analogs

11995722

Draw Identity 99% 90% 80% 70%

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 (Å²)	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	↓ MOL2 SDF SMILES Flexibase

11995938

Analogs

11995939
11868388
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 (Å²)	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	↓ MOL2 SDF SMILES Flexibase

11995939

Analogs

11995938
11868388

Draw Identity 99% 90% 80% 70%

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 (Å²)	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	↓ MOL2 SDF SMILES Flexibase

11996217

Analogs

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 (Å²)	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	↓ MOL2 SDF SMILES Flexibase

11996218

Analogs

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 (Å²)	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	↓ MOL2 SDF SMILES Flexibase

11996271

Analogs

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 (Å²)	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	↓ MOL2 SDF SMILES Flexibase

11996272

Analogs

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 (Å²)	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	↓ MOL2 SDF SMILES Flexibase

12005084

Analogs

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 (Å²)	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	↓ MOL2 SDF SMILES Flexibase

12005088

Analogs

12005084

Draw Identity 99% 90% 80% 70%

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 (Å²)	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	↓ MOL2 SDF SMILES Flexibase

12020244

Analogs

12020250

Draw Identity 99% 90% 80% 70%

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 (Å²)	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	↓ MOL2 SDF SMILES Flexibase

12020250

Analogs

12020244

Draw Identity 99% 90% 80% 70%

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 (Å²)	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	↓ MOL2 SDF SMILES Flexibase

12022017

Analogs

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 (Å²)	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	↓ MOL2 SDF SMILES Flexibase

12022024

Analogs

12022017

Draw Identity 99% 90% 80% 70%

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 (Å²)	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	↓ MOL2 SDF SMILES Flexibase

12022505

Analogs

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 (Å²)	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	↓ MOL2 SDF SMILES Flexibase

12022511

Analogs

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 (Å²)	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	↓ MOL2 SDF SMILES Flexibase

12023074

Analogs

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 (Å²)	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	↓ MOL2 SDF SMILES Flexibase

12023084

Analogs

12023074

Draw Identity 99% 90% 80% 70%

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 (Å²)	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	↓ MOL2 SDF SMILES Flexibase

12023670

Analogs

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 (Å²)	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	↓ MOL2 SDF SMILES Flexibase

12023676

Analogs

12023670

Draw Identity 99% 90% 80% 70%

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 (Å²)	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	↓ MOL2 SDF SMILES Flexibase

12037877

Analogs

12037881
14883331
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 (Å²)	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	↓ MOL2 SDF SMILES Flexibase

12037881

Analogs

14883331
14883333
12037877

Draw Identity 99% 90% 80% 70%

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 (Å²)	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	↓ MOL2 SDF SMILES Flexibase

12041673

Analogs

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 (Å²)	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	↓ MOL2 SDF SMILES Flexibase

12041677

Analogs

12041673

Draw Identity 99% 90% 80% 70%

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 (Å²)	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	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

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<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
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