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53648441

Analogs

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Popular Name: N-[[(2S)-1-[[(2S)-tetrahydrofuran-2-yl]methyl]pyrrolidin-2-yl]methyl]ethanamine N-[[(2S)-1-[[(2S)-tetrahydrofura…

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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)	0.92	2.88	-39.54	2	3	1	29	213.345	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.92	5.28	-105.09	3	3	2	30	214.353	5	↓ MOL2 SDF SMILES Flexibase

53648442

Analogs

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Popular Name: N-[[(2R)-1-[[(2S)-tetrahydrofuran-2-yl]methyl]pyrrolidin-2-yl]methyl]ethanamine N-[[(2R)-1-[[(2S)-tetrahydrofura…

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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)	0.92	3.18	-39.67	2	3	1	29	213.345	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.92	5.51	-106.48	3	3	2	30	214.353	5	↓ MOL2 SDF SMILES Flexibase

53648637

Analogs

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Popular Name: N-[[(2S)-1-[[(2S)-tetrahydrofuran-2-yl]methyl]pyrrolidin-2-yl]methyl]propan-1-amine N-[[(2S)-1-[[(2S)-tetrahydrofura…

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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)	1.42	5.49	-29.7	2	3	1	29	227.372	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.42	7.46	-99.44	3	3	2	30	228.38	6	↓ MOL2 SDF SMILES Flexibase

53648638

Analogs

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Popular Name: N-[[(2R)-1-[[(2S)-tetrahydrofuran-2-yl]methyl]pyrrolidin-2-yl]methyl]propan-1-amine N-[[(2R)-1-[[(2S)-tetrahydrofura…

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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)	1.42	4.81	-32.26	2	3	1	29	227.372	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.42	6.7	-105.86	3	3	2	30	228.38	6	↓ MOL2 SDF SMILES Flexibase

53648900

Analogs

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Popular Name: N-[[(2S)-1-[[(2S)-tetrahydrofuran-2-yl]methyl]pyrrolidin-2-yl]methyl]propan-2-amine N-[[(2S)-1-[[(2S)-tetrahydrofura…

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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)	1.56	3.4	-38.16	2	3	1	29	227.372	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.56	5.8	-104.23	3	3	2	30	228.38	5	↓ MOL2 SDF SMILES Flexibase

53648901

Analogs

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Popular Name: N-[[(2R)-1-[[(2S)-tetrahydrofuran-2-yl]methyl]pyrrolidin-2-yl]methyl]propan-2-amine N-[[(2R)-1-[[(2S)-tetrahydrofura…

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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)	1.56	3.72	-38.36	2	3	1	29	227.372	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.56	6.03	-105.35	3	3	2	30	228.38	5	↓ MOL2 SDF SMILES Flexibase

53649680

Analogs

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Popular Name: 2-methyl-N-[[(2S)-1-[[(2S)-tetrahydrofuran-2-yl]methyl]pyrrolidin-2-yl]methyl]propan-2-amine 2-methyl-N-[[(2S)-1-[[(2S)-tetra…

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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)	2.08	5.63	-26.64	2	3	1	29	241.399	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.08	7.63	-95.21	3	3	2	30	242.407	5	↓ MOL2 SDF SMILES Flexibase

53649682

Analogs

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Popular Name: 2-methyl-N-[[(2R)-1-[[(2S)-tetrahydrofuran-2-yl]methyl]pyrrolidin-2-yl]methyl]propan-2-amine 2-methyl-N-[[(2R)-1-[[(2S)-tetra…

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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)	2.08	4.11	-36.68	2	3	1	29	241.399	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.08	6.45	-104.25	3	3	2	30	242.407	5	↓ MOL2 SDF SMILES Flexibase

53650009

Analogs

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Popular Name: 2-methyl-N-[[(2S)-1-[[(2S)-tetrahydrofuran-2-yl]methyl]pyrrolidin-2-yl]methyl]propan-1-amine 2-methyl-N-[[(2S)-1-[[(2S)-tetra…

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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)	1.66	6.27	-29.64	2	3	1	29	241.399	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.66	8.3	-99.9	3	3	2	30	242.407	6	↓ MOL2 SDF SMILES Flexibase

53650011

Analogs

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Popular Name: 2-methyl-N-[[(2R)-1-[[(2S)-tetrahydrofuran-2-yl]methyl]pyrrolidin-2-yl]methyl]propan-1-amine 2-methyl-N-[[(2R)-1-[[(2S)-tetra…

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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)	1.66	4.64	-40.52	2	3	1	29	241.399	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.66	6.98	-109.98	3	3	2	30	242.407	6	↓ MOL2 SDF SMILES Flexibase

53650352

Analogs

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Popular Name: 2-methoxy-N-[[(2S)-1-[[(2S)-tetrahydrofuran-2-yl]methyl]pyrrolidin-2-yl]methyl]ethanamine 2-methoxy-N-[[(2S)-1-[[(2S)-tetr…

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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)	0.52	3.88	-28.36	2	4	1	38	243.371	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.52	2.71	-2.61	1	4	0	34	242.363	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.52	5.84	-97.73	3	4	2	40	244.379	7	↓ MOL2 SDF SMILES Flexibase

53650354

Analogs

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Popular Name: 2-methoxy-N-[[(2R)-1-[[(2S)-tetrahydrofuran-2-yl]methyl]pyrrolidin-2-yl]methyl]ethanamine 2-methoxy-N-[[(2R)-1-[[(2S)-tetr…

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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)	0.52	3.19	-32.75	2	4	1	38	243.371	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.52	1.86	-3.82	1	4	0	34	242.363	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.52	5.09	-103.29	3	4	2	40	244.379	7	↓ MOL2 SDF SMILES Flexibase

52375206

Analogs

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Popular Name: [(2R,5S)-5-[[(2R)-2-ethylpyrrolidin-1-yl]methyl]tetrahydrofuran-2-yl]methanamine [(2R,5S)-5-[[(2R)-2-ethylpyrroli…

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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)	0.78	4.58	-90.73	4	3	2	41	214.353	4	↓ MOL2 SDF SMILES Flexibase

52375208

Analogs

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Popular Name: [(2R,5S)-5-[[(2S)-2-ethylpyrrolidin-1-yl]methyl]tetrahydrofuran-2-yl]methanamine [(2R,5S)-5-[[(2S)-2-ethylpyrroli…

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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)	0.78	4.59	-90.54	4	3	2	41	214.353	4	↓ MOL2 SDF SMILES Flexibase

52375328

Analogs

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Popular Name: 1-[(2R,5S)-5-[[(2R)-2-ethylpyrrolidin-1-yl]methyl]tetrahydrofuran-2-yl]-N-methyl-methanamine 1-[(2R,5S)-5-[[(2R)-2-ethylpyrro…

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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)	1.76	6.46	-86.14	3	3	2	30	228.38	5	↓ MOL2 SDF SMILES Flexibase

52375330

Analogs

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Popular Name: 1-[(2R,5S)-5-[[(2S)-2-ethylpyrrolidin-1-yl]methyl]tetrahydrofuran-2-yl]-N-methyl-methanamine 1-[(2R,5S)-5-[[(2S)-2-ethylpyrro…

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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)	1.76	6.22	-88.56	3	3	2	30	228.38	5	↓ MOL2 SDF SMILES Flexibase

52375332

Analogs

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Popular Name: N-[[(2R,5S)-5-[[(2R)-2-ethylpyrrolidin-1-yl]methyl]tetrahydrofuran-2-yl]methyl]ethanamine N-[[(2R,5S)-5-[[(2R)-2-ethylpyrr…

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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)	1.78	7.32	-85.92	3	3	2	30	242.407	6	↓ MOL2 SDF SMILES Flexibase

52375333

Analogs

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Popular Name: N-[[(2R,5S)-5-[[(2S)-2-ethylpyrrolidin-1-yl]methyl]tetrahydrofuran-2-yl]methyl]ethanamine N-[[(2R,5S)-5-[[(2S)-2-ethylpyrr…

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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)	1.78	7.08	-88.23	3	3	2	30	242.407	6	↓ MOL2 SDF SMILES Flexibase

52375335

Analogs

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Popular Name: N-[[(2S,5R)-5-[[(2S)-2-ethylpyrrolidin-1-yl]methyl]tetrahydrofuran-2-yl]methyl]propan-1-amine N-[[(2S,5R)-5-[[(2S)-2-ethylpyrr…

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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)	2.29	8	-87.06	3	3	2	30	256.434	7	↓ MOL2 SDF SMILES Flexibase

52375337

Analogs

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Popular Name: N-[[(2R,5R)-5-[[(2S)-2-ethylpyrrolidin-1-yl]methyl]tetrahydrofuran-2-yl]methyl]propan-1-amine N-[[(2R,5R)-5-[[(2S)-2-ethylpyrr…

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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)	2.29	8.07	-87.82	3	3	2	30	256.434	7	↓ MOL2 SDF SMILES Flexibase

52375339

Analogs

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Popular Name: N-[[(2S,5S)-5-[[(2S)-2-ethylpyrrolidin-1-yl]methyl]tetrahydrofuran-2-yl]methyl]propan-1-amine N-[[(2S,5S)-5-[[(2S)-2-ethylpyrr…

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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)	2.29	8.07	-87.56	3	3	2	30	256.434	7	↓ MOL2 SDF SMILES Flexibase

52375341

Analogs

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Popular Name: N-[[(2R,5S)-5-[[(2S)-2-ethylpyrrolidin-1-yl]methyl]tetrahydrofuran-2-yl]methyl]propan-1-amine N-[[(2R,5S)-5-[[(2S)-2-ethylpyrr…

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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)	2.29	7.78	-90.37	3	3	2	30	256.434	7	↓ MOL2 SDF SMILES Flexibase

52375343

Analogs

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Popular Name: N-[[(2R,5S)-5-[[(2R)-2-ethylpyrrolidin-1-yl]methyl]tetrahydrofuran-2-yl]methyl]propan-2-amine N-[[(2R,5S)-5-[[(2R)-2-ethylpyrr…

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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)	2.43	7.83	-85.4	3	3	2	30	256.434	6	↓ MOL2 SDF SMILES Flexibase

52375344

Analogs

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Popular Name: N-[[(2R,5S)-5-[[(2S)-2-ethylpyrrolidin-1-yl]methyl]tetrahydrofuran-2-yl]methyl]propan-2-amine N-[[(2R,5S)-5-[[(2S)-2-ethylpyrr…

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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)	2.43	7.6	-87.81	3	3	2	30	256.434	6	↓ MOL2 SDF SMILES Flexibase

52375350

Analogs

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Popular Name: N-[[(2R,5S)-5-[[(2R)-2-ethylpyrrolidin-1-yl]methyl]tetrahydrofuran-2-yl]methyl]-2-methyl-propan-2-am N-[[(2R,5S)-5-[[(2R)-2-ethylpyrr…

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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)	2.94	8.27	-84.47	3	3	2	30	270.461	6	↓ MOL2 SDF SMILES Flexibase

52375352

Analogs

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Popular Name: N-[[(2R,5S)-5-[[(2S)-2-ethylpyrrolidin-1-yl]methyl]tetrahydrofuran-2-yl]methyl]-2-methyl-propan-2-am N-[[(2R,5S)-5-[[(2S)-2-ethylpyrr…

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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)	2.94	8.27	-84.41	3	3	2	30	270.461	6	↓ MOL2 SDF SMILES Flexibase

52375354

Analogs

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Popular Name: N-[[(2R,5S)-5-[[(2R)-2-ethylpyrrolidin-1-yl]methyl]tetrahydrofuran-2-yl]methyl]-2-methyl-propan-1-am N-[[(2R,5S)-5-[[(2R)-2-ethylpyrr…

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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)	2.53	8.75	-88.09	3	3	2	30	270.461	7	↓ MOL2 SDF SMILES Flexibase

52375356

Analogs

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Popular Name: N-[[(2R,5S)-5-[[(2S)-2-ethylpyrrolidin-1-yl]methyl]tetrahydrofuran-2-yl]methyl]-2-methyl-propan-1-am N-[[(2R,5S)-5-[[(2S)-2-ethylpyrr…

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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)	2.53	8.52	-90.53	3	3	2	30	270.461	7	↓ MOL2 SDF SMILES Flexibase

52375956

Analogs

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Popular Name: [(2R,5S)-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]tetrahydrofuran-2-yl]methanamine [(2R,5S)-5-[[(2R)-2-methylpyrrol…

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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)	0.24	4.04	-91.88	4	3	2	41	200.326	3	↓ MOL2 SDF SMILES Flexibase

52375957

Analogs

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Popular Name: [(2R,5S)-5-[[(2S)-2-methylpyrrolidin-1-yl]methyl]tetrahydrofuran-2-yl]methanamine [(2R,5S)-5-[[(2S)-2-methylpyrrol…

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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)	0.24	3.69	-91.95	4	3	2	41	200.326	3	↓ MOL2 SDF SMILES Flexibase

52376078

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Popular Name: N-methyl-1-[(2R,5S)-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]tetrahydrofuran-2-yl]methanamine N-methyl-1-[(2R,5S)-5-[[(2R)-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.22	5.92	-87.32	3	3	2	30	214.353	4	↓ MOL2 SDF SMILES Flexibase

52376080

Analogs

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Popular Name: N-methyl-1-[(2R,5S)-5-[[(2S)-2-methylpyrrolidin-1-yl]methyl]tetrahydrofuran-2-yl]methanamine N-methyl-1-[(2R,5S)-5-[[(2S)-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.22	5.61	-85.92	3	3	2	30	214.353	4	↓ MOL2 SDF SMILES Flexibase

52376082

Analogs

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Popular Name: N-[[(2S,5R)-5-[[(2S)-2-methylpyrrolidin-1-yl]methyl]tetrahydrofuran-2-yl]methyl]ethanamine N-[[(2S,5R)-5-[[(2S)-2-methylpyr…

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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)	1.25	6.18	-86.23	3	3	2	30	228.38	5	↓ MOL2 SDF SMILES Flexibase

52376084

Analogs

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Popular Name: N-[[(2R,5R)-5-[[(2S)-2-methylpyrrolidin-1-yl]methyl]tetrahydrofuran-2-yl]methyl]ethanamine N-[[(2R,5R)-5-[[(2S)-2-methylpyr…

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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)	1.25	6.25	-86.68	3	3	2	30	228.38	5	↓ MOL2 SDF SMILES Flexibase

52376085

Analogs

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Popular Name: N-[[(2S,5S)-5-[[(2S)-2-methylpyrrolidin-1-yl]methyl]tetrahydrofuran-2-yl]methyl]ethanamine N-[[(2S,5S)-5-[[(2S)-2-methylpyr…

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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)	1.25	6.45	-87.65	3	3	2	30	228.38	5	↓ MOL2 SDF SMILES Flexibase

52376087

Analogs

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Popular Name: N-[[(2R,5S)-5-[[(2S)-2-methylpyrrolidin-1-yl]methyl]tetrahydrofuran-2-yl]methyl]ethanamine N-[[(2R,5S)-5-[[(2S)-2-methylpyr…

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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)	1.25	6.39	-87.53	3	3	2	30	228.38	5	↓ MOL2 SDF SMILES Flexibase

52376088

Analogs

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Popular Name: N-[[(2S,5R)-5-[[(2S)-2-methylpyrrolidin-1-yl]methyl]tetrahydrofuran-2-yl]methyl]propan-1-amine N-[[(2S,5R)-5-[[(2S)-2-methylpyr…

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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	6.93	-87.79	3	3	2	30	242.407	6	↓ MOL2 SDF SMILES Flexibase

52376090

Analogs

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Popular Name: N-[[(2R,5R)-5-[[(2S)-2-methylpyrrolidin-1-yl]methyl]tetrahydrofuran-2-yl]methyl]propan-1-amine N-[[(2R,5R)-5-[[(2S)-2-methylpyr…

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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	7	-88.33	3	3	2	30	242.407	6	↓ MOL2 SDF SMILES Flexibase

52376092

Analogs

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Popular Name: N-[[(2S,5S)-5-[[(2S)-2-methylpyrrolidin-1-yl]methyl]tetrahydrofuran-2-yl]methyl]propan-1-amine N-[[(2S,5S)-5-[[(2S)-2-methylpyr…

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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	7.31	-87.35	3	3	2	30	242.407	6	↓ MOL2 SDF SMILES Flexibase

52376093

Analogs

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Popular Name: N-[[(2R,5S)-5-[[(2S)-2-methylpyrrolidin-1-yl]methyl]tetrahydrofuran-2-yl]methyl]propan-1-amine N-[[(2R,5S)-5-[[(2S)-2-methylpyr…

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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	7.25	-87.28	3	3	2	30	242.407	6	↓ MOL2 SDF SMILES Flexibase

52376094

Analogs

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Popular Name: N-[[(2R,5S)-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]tetrahydrofuran-2-yl]methyl]propan-2-amine N-[[(2R,5S)-5-[[(2R)-2-methylpyr…

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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)	1.90	7.3	-86.5	3	3	2	30	242.407	5	↓ MOL2 SDF SMILES Flexibase

52376096

Analogs

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Popular Name: N-[[(2R,5S)-5-[[(2S)-2-methylpyrrolidin-1-yl]methyl]tetrahydrofuran-2-yl]methyl]propan-2-amine N-[[(2R,5S)-5-[[(2S)-2-methylpyr…

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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)	1.90	6.94	-86.6	3	3	2	30	242.407	5	↓ MOL2 SDF SMILES Flexibase

52376101

Analogs

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Popular Name: 2-methyl-N-[[(2R,5S)-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]tetrahydrofuran-2-yl]methyl]propan-2-am 2-methyl-N-[[(2R,5S)-5-[[(2R)-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.41	7.72	-85.61	3	3	2	30	256.434	5	↓ MOL2 SDF SMILES Flexibase

52376103

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Popular Name: 2-methyl-N-[[(2R,5S)-5-[[(2S)-2-methylpyrrolidin-1-yl]methyl]tetrahydrofuran-2-yl]methyl]propan-2-am 2-methyl-N-[[(2R,5S)-5-[[(2S)-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.41	7.41	-84.23	3	3	2	30	256.434	5	↓ MOL2 SDF SMILES Flexibase

52376104

Analogs

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Popular Name: 2-methyl-N-[[(2R,5S)-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]tetrahydrofuran-2-yl]methyl]propan-1-am 2-methyl-N-[[(2R,5S)-5-[[(2R)-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.99	8.21	-89.18	3	3	2	30	256.434	6	↓ MOL2 SDF SMILES Flexibase

52376106

Analogs

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Popular Name: 2-methyl-N-[[(2R,5S)-5-[[(2S)-2-methylpyrrolidin-1-yl]methyl]tetrahydrofuran-2-yl]methyl]propan-1-am 2-methyl-N-[[(2R,5S)-5-[[(2S)-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.99	7.91	-87.69	3	3	2	30	256.434	6	↓ MOL2 SDF SMILES Flexibase

52377455

Analogs

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Popular Name: [(2R,5S)-5-(pyrrolidin-1-ylmethyl)tetrahydrofuran-2-yl]methanamine [(2R,5S)-5-(pyrrolidin-1-ylmethy…

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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)	-0.09	3.18	-91.31	4	3	2	41	186.299	3	↓ MOL2 SDF SMILES Flexibase

52377456

Analogs

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Popular Name: [(2R,5R)-5-(pyrrolidin-1-ylmethyl)tetrahydrofuran-2-yl]methanamine [(2R,5R)-5-(pyrrolidin-1-ylmethy…

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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)	-0.09	3.51	-93.04	4	3	2	41	186.299	3	↓ MOL2 SDF SMILES Flexibase

52377458

Analogs

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Popular Name: [(2S,5S)-5-(pyrrolidin-1-ylmethyl)tetrahydrofuran-2-yl]methanamine [(2S,5S)-5-(pyrrolidin-1-ylmethy…

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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)	-0.09	3.18	-91.54	4	3	2	41	186.299	3	↓ MOL2 SDF SMILES Flexibase

52377459

Analogs

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Popular Name: [(2S,5R)-5-(pyrrolidin-1-ylmethyl)tetrahydrofuran-2-yl]methanamine [(2S,5R)-5-(pyrrolidin-1-ylmethy…

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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)	-0.09	3.39	-92.86	4	3	2	41	186.299	3	↓ 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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