ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

68958723

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-tetrahydropyran-4-ylpiperidine (2S)-2-tetrahydropyran-4-ylpiper…

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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)	1.75	3.83	-38.25	2	2	1	26	170.276	1	↓ MOL2 SDF SMILES Flexibase

68958724

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-tetrahydropyran-4-ylpiperidine (2R)-2-tetrahydropyran-4-ylpiper…

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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)	1.75	3.93	-37.61	2	2	1	26	170.276	1	↓ MOL2 SDF SMILES Flexibase

69842910

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2S)-2-piperidyl]tetrahydropyran-4-ol 4-[(2S)-2-piperidyl]tetrahydropy…

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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)	0.80	1.11	-34.64	3	3	1	46	186.275	1	↓ MOL2 SDF SMILES Flexibase

69842913

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2R)-2-piperidyl]tetrahydropyran-4-ol 4-[(2R)-2-piperidyl]tetrahydropy…

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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)	0.80	1.16	-34.83	3	3	1	46	186.275	1	↓ MOL2 SDF SMILES Flexibase

69895200

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-2-methyl-4-[(2S)-2-piperidyl]tetrahydropyran-4-ol (2R,4S)-2-methyl-4-[(2S)-2-piper…

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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)	1.17	1.88	-34.98	3	3	1	46	200.302	1	↓ MOL2 SDF SMILES Flexibase

69895203

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-2-methyl-4-[(2S)-2-piperidyl]tetrahydropyran-4-ol (2S,4S)-2-methyl-4-[(2S)-2-piper…

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Activity (Go SEA)

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)	1.17	2.02	-41.64	3	3	1	46	200.302	1	↓ MOL2 SDF SMILES Flexibase

69895206

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-2-methyl-4-[(2S)-2-piperidyl]tetrahydropyran-4-ol (2R,4R)-2-methyl-4-[(2S)-2-piper…

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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)	1.17	2.01	-41.53	3	3	1	46	200.302	1	↓ MOL2 SDF SMILES Flexibase

69895209

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-2-methyl-4-[(2S)-2-piperidyl]tetrahydropyran-4-ol (2S,4R)-2-methyl-4-[(2S)-2-piper…

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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)	1.17	1.88	-34.92	3	3	1	46	200.302	1	↓ MOL2 SDF SMILES Flexibase

69895823

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-2-ethyl-4-[(2S)-2-piperidyl]tetrahydropyran-4-ol (2R,4S)-2-ethyl-4-[(2S)-2-piperi…

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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)	1.67	2.7	-35.2	3	3	1	46	214.329	2	↓ MOL2 SDF SMILES Flexibase

69895827

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-2-ethyl-4-[(2S)-2-piperidyl]tetrahydropyran-4-ol (2S,4S)-2-ethyl-4-[(2S)-2-piperi…

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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)	1.67	2.12	-35.13	3	3	1	46	214.329	2	↓ MOL2 SDF SMILES Flexibase

69895829

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-2-ethyl-4-[(2S)-2-piperidyl]tetrahydropyran-4-ol (2R,4R)-2-ethyl-4-[(2S)-2-piperi…

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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)	1.67	2.11	-34.77	3	3	1	46	214.329	2	↓ MOL2 SDF SMILES Flexibase

69895830

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-2-ethyl-4-[(2S)-2-piperidyl]tetrahydropyran-4-ol (2S,4R)-2-ethyl-4-[(2S)-2-piperi…

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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)	1.67	2.7	-34.84	3	3	1	46	214.329	2	↓ MOL2 SDF SMILES Flexibase

69896164

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-4-[(2S)-2-piperidyl]-2-propyl-tetrahydropyran-4-ol (2R,4S)-4-[(2S)-2-piperidyl]-2-p…

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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)	2.23	3.48	-35.27	3	3	1	46	228.356	3	↓ MOL2 SDF SMILES Flexibase

69896166

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-4-[(2S)-2-piperidyl]-2-propyl-tetrahydropyran-4-ol (2S,4S)-4-[(2S)-2-piperidyl]-2-p…

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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)	2.23	2.89	-35.3	3	3	1	46	228.356	3	↓ MOL2 SDF SMILES Flexibase

69896168

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-4-[(2S)-2-piperidyl]-2-propyl-tetrahydropyran-4-ol (2R,4R)-4-[(2S)-2-piperidyl]-2-p…

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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)	2.23	2.89	-34.86	3	3	1	46	228.356	3	↓ MOL2 SDF SMILES Flexibase

69896170

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-4-[(2S)-2-piperidyl]-2-propyl-tetrahydropyran-4-ol (2S,4R)-4-[(2S)-2-piperidyl]-2-p…

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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)	2.23	3.48	-34.84	3	3	1	46	228.356	3	↓ MOL2 SDF SMILES Flexibase

69896407

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-2-isopropyl-4-[(2S)-2-piperidyl]tetrahydropyran-4-ol (2S,4S)-2-isopropyl-4-[(2S)-2-pi…

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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)	1.92	3.24	-35.48	3	3	1	46	228.356	2	↓ MOL2 SDF SMILES Flexibase

69896408

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-2-isopropyl-4-[(2S)-2-piperidyl]tetrahydropyran-4-ol (2R,4S)-2-isopropyl-4-[(2S)-2-pi…

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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)	1.92	2.71	-35.33	3	3	1	46	228.356	2	↓ MOL2 SDF SMILES Flexibase

69896411

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-2-isopropyl-4-[(2S)-2-piperidyl]tetrahydropyran-4-ol (2S,4R)-2-isopropyl-4-[(2S)-2-pi…

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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)	1.92	2.65	-34.9	3	3	1	46	228.356	2	↓ MOL2 SDF SMILES Flexibase

69896414

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-2-isopropyl-4-[(2S)-2-piperidyl]tetrahydropyran-4-ol (2R,4R)-2-isopropyl-4-[(2S)-2-pi…

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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)	1.92	3.3	-34.89	3	3	1	46	228.356	2	↓ MOL2 SDF SMILES Flexibase

69896655

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-2,2-dimethyl-4-[(2S)-2-piperidyl]tetrahydropyran-4-ol (4S)-2,2-dimethyl-4-[(2S)-2-pipe…

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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)	1.62	2.68	-42.15	3	3	1	46	214.329	1	↓ MOL2 SDF SMILES Flexibase

69896658

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-2,2-dimethyl-4-[(2S)-2-piperidyl]tetrahydropyran-4-ol (4R)-2,2-dimethyl-4-[(2S)-2-pipe…

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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)	1.62	2.67	-41.88	3	3	1	46	214.329	1	↓ MOL2 SDF SMILES Flexibase

69896662

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-2,2-dimethyl-4-[(2R)-2-piperidyl]tetrahydropyran-4-ol (4S)-2,2-dimethyl-4-[(2R)-2-pipe…

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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)	1.62	2.68	-41.84	3	3	1	46	214.329	1	↓ MOL2 SDF SMILES Flexibase

69896664

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-2,2-dimethyl-4-[(2R)-2-piperidyl]tetrahydropyran-4-ol (4R)-2,2-dimethyl-4-[(2R)-2-pipe…

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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)	1.62	2.68	-42.21	3	3	1	46	214.329	1	↓ MOL2 SDF SMILES Flexibase

69896868

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-2-ethyl-2-methyl-4-[(2S)-2-piperidyl]tetrahydropyran-4-ol (2R,4S)-2-ethyl-2-methyl-4-[(2S)…

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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	3.34	-42.13	3	3	1	46	228.356	2	↓ MOL2 SDF SMILES Flexibase

69896872

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-2-ethyl-2-methyl-4-[(2S)-2-piperidyl]tetrahydropyran-4-ol (2S,4S)-2-ethyl-2-methyl-4-[(2S)…

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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	3.31	-42.36	3	3	1	46	228.356	2	↓ MOL2 SDF SMILES Flexibase

69896874

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-2-ethyl-2-methyl-4-[(2S)-2-piperidyl]tetrahydropyran-4-ol (2R,4R)-2-ethyl-2-methyl-4-[(2S)…

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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	3.31	-41.77	3	3	1	46	228.356	2	↓ MOL2 SDF SMILES Flexibase

69896877

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-2-ethyl-2-methyl-4-[(2S)-2-piperidyl]tetrahydropyran-4-ol (2S,4R)-2-ethyl-2-methyl-4-[(2S)…

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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	3.37	-41.52	3	3	1	46	228.356	2	↓ MOL2 SDF SMILES Flexibase

69939360

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2S,4R)-4-methyl-2-piperidyl]tetrahydropyran-4-ol 4-[(2S,4R)-4-methyl-2-piperidyl]…

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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)	1.05	1.73	-35.47	3	3	1	46	200.302	1	↓ MOL2 SDF SMILES Flexibase

69939361

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2S,4S)-4-methyl-2-piperidyl]tetrahydropyran-4-ol 4-[(2S,4S)-4-methyl-2-piperidyl]…

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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)	1.05	1.49	-34.78	3	3	1	46	200.302	1	↓ MOL2 SDF SMILES Flexibase

69939362

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2R,4R)-4-methyl-2-piperidyl]tetrahydropyran-4-ol 4-[(2R,4R)-4-methyl-2-piperidyl]…

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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)	1.05	1.54	-34.89	3	3	1	46	200.302	1	↓ MOL2 SDF SMILES Flexibase

69939363

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2R,4S)-4-methyl-2-piperidyl]tetrahydropyran-4-ol 4-[(2R,4S)-4-methyl-2-piperidyl]…

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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)	1.05	1.78	-35.62	3	3	1	46	200.302	1	↓ MOL2 SDF SMILES Flexibase

69939364

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2S,4R)-4-ethyl-2-piperidyl]tetrahydropyran-4-ol 4-[(2S,4R)-4-ethyl-2-piperidyl]t…

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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)	1.73	2.39	-35.88	3	3	1	46	214.329	2	↓ MOL2 SDF SMILES Flexibase

69939365

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2S,4S)-4-ethyl-2-piperidyl]tetrahydropyran-4-ol 4-[(2S,4S)-4-ethyl-2-piperidyl]t…

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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)	1.73	2.11	-35.41	3	3	1	46	214.329	2	↓ MOL2 SDF SMILES Flexibase

69939366

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2R,4R)-4-ethyl-2-piperidyl]tetrahydropyran-4-ol 4-[(2R,4R)-4-ethyl-2-piperidyl]t…

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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)	1.73	2.16	-35.6	3	3	1	46	214.329	2	↓ MOL2 SDF SMILES Flexibase

69939367

Analogs

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Popular Name: 4-[(2R,4S)-4-ethyl-2-piperidyl]tetrahydropyran-4-ol 4-[(2R,4S)-4-ethyl-2-piperidyl]t…

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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)	1.73	2.44	-36.04	3	3	1	46	214.329	2	↓ MOL2 SDF SMILES Flexibase

69940266

Analogs

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Popular Name: (2R,4S)-2-methyl-4-[(2S,4R)-4-methyl-2-piperidyl]tetrahydropyran-4-ol (2R,4S)-2-methyl-4-[(2S,4R)-4-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)	1.41	2.49	-35.85	3	3	1	46	214.329	1	↓ MOL2 SDF SMILES Flexibase

69940267

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-2-methyl-4-[(2S,4S)-4-methyl-2-piperidyl]tetrahydropyran-4-ol (2R,4S)-2-methyl-4-[(2S,4S)-4-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)	1.41	2.26	-35.18	3	3	1	46	214.329	1	↓ MOL2 SDF SMILES Flexibase

69940268

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-2-methyl-4-[(2R,4R)-4-methyl-2-piperidyl]tetrahydropyran-4-ol (2R,4S)-2-methyl-4-[(2R,4R)-4-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)	1.41	2.31	-35.24	3	3	1	46	214.329	1	↓ MOL2 SDF SMILES Flexibase

69940269

Analogs

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Popular Name: (2R,4S)-2-methyl-4-[(2R,4S)-4-methyl-2-piperidyl]tetrahydropyran-4-ol (2R,4S)-2-methyl-4-[(2R,4S)-4-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)	1.41	2.54	-35.91	3	3	1	46	214.329	1	↓ MOL2 SDF SMILES Flexibase

69940270

Analogs

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Popular Name: (2R,4S)-4-[(2S,4R)-4-ethyl-2-piperidyl]-2-methyl-tetrahydropyran-4-ol (2R,4S)-4-[(2S,4R)-4-ethyl-2-pip…

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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)	2.10	3.15	-36.28	3	3	1	46	228.356	2	↓ MOL2 SDF SMILES Flexibase

69940272

Analogs

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Popular Name: (2R,4S)-4-[(2S,4S)-4-ethyl-2-piperidyl]-2-methyl-tetrahydropyran-4-ol (2R,4S)-4-[(2S,4S)-4-ethyl-2-pip…

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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)	2.10	2.88	-35.82	3	3	1	46	228.356	2	↓ MOL2 SDF SMILES Flexibase

69940274

Analogs

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Popular Name: (2R,4S)-4-[(2R,4R)-4-ethyl-2-piperidyl]-2-methyl-tetrahydropyran-4-ol (2R,4S)-4-[(2R,4R)-4-ethyl-2-pip…

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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)	2.10	2.93	-35.89	3	3	1	46	228.356	2	↓ MOL2 SDF SMILES Flexibase

69940275

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-4-[(2R,4S)-4-ethyl-2-piperidyl]-2-methyl-tetrahydropyran-4-ol (2R,4S)-4-[(2R,4S)-4-ethyl-2-pip…

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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)	2.10	3.2	-36.37	3	3	1	46	228.356	2	↓ MOL2 SDF SMILES Flexibase

69940280

Analogs

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Popular Name: (2R,4S)-2-ethyl-4-[(2S,4R)-4-methyl-2-piperidyl]tetrahydropyran-4-ol (2R,4S)-2-ethyl-4-[(2S,4R)-4-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.91	3.32	-36.02	3	3	1	46	228.356	2	↓ MOL2 SDF SMILES Flexibase

69940281

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-2-ethyl-4-[(2S,4R)-4-methyl-2-piperidyl]tetrahydropyran-4-ol (2S,4S)-2-ethyl-4-[(2S,4R)-4-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.91	2.74	-35.91	3	3	1	46	228.356	2	↓ MOL2 SDF SMILES Flexibase

69940282

Analogs

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Popular Name: (2R,4R)-2-ethyl-4-[(2S,4R)-4-methyl-2-piperidyl]tetrahydropyran-4-ol (2R,4R)-2-ethyl-4-[(2S,4R)-4-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.91	2.72	-35.57	3	3	1	46	228.356	2	↓ MOL2 SDF SMILES Flexibase

69940283

Analogs

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Popular Name: (2S,4R)-2-ethyl-4-[(2S,4R)-4-methyl-2-piperidyl]tetrahydropyran-4-ol (2S,4R)-2-ethyl-4-[(2S,4R)-4-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.91	3.32	-35.69	3	3	1	46	228.356	2	↓ MOL2 SDF SMILES Flexibase

69940300

Analogs

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Popular Name: (4S)-2,2-dimethyl-4-[(2S,4R)-4-methyl-2-piperidyl]tetrahydropyran-4-ol (4S)-2,2-dimethyl-4-[(2S,4R)-4-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)	1.86	3.3	-43.14	3	3	1	46	228.356	1	↓ MOL2 SDF SMILES Flexibase

69940301

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-2,2-dimethyl-4-[(2S,4S)-4-methyl-2-piperidyl]tetrahydropyran-4-ol (4S)-2,2-dimethyl-4-[(2S,4S)-4-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)	1.86	3.05	-42.47	3	3	1	46	228.356	1	↓ MOL2 SDF SMILES Flexibase

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SQL Query Was

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