ZINC 12

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)	-0.15	0.15	-47.81	3	4	1	67	186.26	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.15	-0.25	-6.5	2	4	0	65	185.252	2	↓ MOL2 SDF SMILES Flexibase

70004613

Analogs

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Popular Name: [5-[(3R)-tetrahydrothiophen-3-yl]-1,2,4-oxadiazol-3-yl]methanamine [5-[(3R)-tetrahydrothiophen-3-yl…

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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)	-0.15	0.19	-47.78	3	4	1	67	186.26	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.15	-0.21	-6.82	2	4	0	65	185.252	2	↓ MOL2 SDF SMILES Flexibase

70004628

Analogs

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Popular Name: (1S)-1-[5-[(3S)-tetrahydrothiophen-3-yl]-1,2,4-oxadiazol-3-yl]ethanamine (1S)-1-[5-[(3S)-tetrahydrothioph…

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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)	-1.47	0.68	-45.32	3	4	1	67	200.287	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-1.47	0.35	-7.61	2	4	0	65	199.279	2	↓ MOL2 SDF SMILES Flexibase

70004630

Analogs

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Popular Name: (1R)-1-[5-[(3S)-tetrahydrothiophen-3-yl]-1,2,4-oxadiazol-3-yl]ethanamine (1R)-1-[5-[(3S)-tetrahydrothioph…

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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)	-1.47	0.68	-45.03	3	4	1	67	200.287	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-1.47	0.31	-8.19	2	4	0	65	199.279	2	↓ MOL2 SDF SMILES Flexibase

70004632

Analogs

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Popular Name: (1S)-1-[5-[(3R)-tetrahydrothiophen-3-yl]-1,2,4-oxadiazol-3-yl]ethanamine (1S)-1-[5-[(3R)-tetrahydrothioph…

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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)	-1.47	0.71	-44.65	3	4	1	67	200.287	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-1.47	0.39	-6.75	2	4	0	65	199.279	2	↓ MOL2 SDF SMILES Flexibase

70004634

Analogs

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Popular Name: (1R)-1-[5-[(3R)-tetrahydrothiophen-3-yl]-1,2,4-oxadiazol-3-yl]ethanamine (1R)-1-[5-[(3R)-tetrahydrothioph…

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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)	-1.47	0.72	-45.04	3	4	1	67	200.287	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-1.47	0.34	-7.17	2	4	0	65	199.279	2	↓ MOL2 SDF SMILES Flexibase

70004656

Analogs

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Popular Name: (1S)-1-[5-[(3S)-tetrahydrothiophen-3-yl]-1,2,4-oxadiazol-3-yl]propan-1-amine (1S)-1-[5-[(3S)-tetrahydrothioph…

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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)	-0.97	1.49	-43.99	3	4	1	67	214.314	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.97	1.19	-6.25	2	4	0	65	213.306	3	↓ MOL2 SDF SMILES Flexibase

70004659

Analogs

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Popular Name: (1R)-1-[5-[(3S)-tetrahydrothiophen-3-yl]-1,2,4-oxadiazol-3-yl]propan-1-amine (1R)-1-[5-[(3S)-tetrahydrothioph…

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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)	-0.97	1.49	-43.68	3	4	1	67	214.314	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.97	1.17	-7.48	2	4	0	65	213.306	3	↓ MOL2 SDF SMILES Flexibase

70004662

Analogs

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Popular Name: (1S)-1-[5-[(3R)-tetrahydrothiophen-3-yl]-1,2,4-oxadiazol-3-yl]propan-1-amine (1S)-1-[5-[(3R)-tetrahydrothioph…

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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)	-0.97	1.52	-43.29	3	4	1	67	214.314	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.97	1.23	-5.35	2	4	0	65	213.306	3	↓ MOL2 SDF SMILES Flexibase

70004665

Analogs

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Popular Name: (1R)-1-[5-[(3R)-tetrahydrothiophen-3-yl]-1,2,4-oxadiazol-3-yl]propan-1-amine (1R)-1-[5-[(3R)-tetrahydrothioph…

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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)	-0.97	1.52	-43.7	3	4	1	67	214.314	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.97	1.22	-6.4	2	4	0	65	213.306	3	↓ MOL2 SDF SMILES Flexibase

70004686

Analogs

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Popular Name: (1S)-1-[5-[(3S)-tetrahydrothiophen-3-yl]-1,2,4-oxadiazol-3-yl]butan-1-amine (1S)-1-[5-[(3S)-tetrahydrothioph…

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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)	-0.41	2.24	-45.25	3	4	1	67	228.341	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.41	1.96	-6.21	2	4	0	65	227.333	4	↓ MOL2 SDF SMILES Flexibase

70004689

Analogs

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Popular Name: (1R)-1-[5-[(3S)-tetrahydrothiophen-3-yl]-1,2,4-oxadiazol-3-yl]butan-1-amine (1R)-1-[5-[(3S)-tetrahydrothioph…

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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)	-0.41	2.25	-44.87	3	4	1	67	228.341	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.41	1.94	-7.37	2	4	0	65	227.333	4	↓ MOL2 SDF SMILES Flexibase

70004692

Analogs

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Popular Name: (1S)-1-[5-[(3R)-tetrahydrothiophen-3-yl]-1,2,4-oxadiazol-3-yl]butan-1-amine (1S)-1-[5-[(3R)-tetrahydrothioph…

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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)	-0.41	2.28	-44.49	3	4	1	67	228.341	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.41	2	-5.22	2	4	0	65	227.333	4	↓ MOL2 SDF SMILES Flexibase

70004696

Analogs

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Popular Name: (1R)-1-[5-[(3R)-tetrahydrothiophen-3-yl]-1,2,4-oxadiazol-3-yl]butan-1-amine (1R)-1-[5-[(3R)-tetrahydrothioph…

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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)	-0.41	2.28	-44.88	3	4	1	67	228.341	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.41	1.97	-6.32	2	4	0	65	227.333	4	↓ MOL2 SDF SMILES Flexibase

70004718

Analogs

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Popular Name: (1S)-2-methyl-1-[5-[(3S)-tetrahydrothiophen-3-yl]-1,2,4-oxadiazol-3-yl]propan-1-amine (1S)-2-methyl-1-[5-[(3S)-tetrahy…

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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)	-0.73	1.73	-44.44	3	4	1	67	228.341	3	↓ MOL2 SDF SMILES Flexibase

70004721

Analogs

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Popular Name: (1R)-2-methyl-1-[5-[(3S)-tetrahydrothiophen-3-yl]-1,2,4-oxadiazol-3-yl]propan-1-amine (1R)-2-methyl-1-[5-[(3S)-tetrahy…

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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)	-0.73	2.21	-43.57	3	4	1	67	228.341	3	↓ MOL2 SDF SMILES Flexibase

70004724

Analogs

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Popular Name: (1S)-2-methyl-1-[5-[(3R)-tetrahydrothiophen-3-yl]-1,2,4-oxadiazol-3-yl]propan-1-amine (1S)-2-methyl-1-[5-[(3R)-tetrahy…

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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)	-0.73	1.78	-43.65	3	4	1	67	228.341	3	↓ MOL2 SDF SMILES Flexibase

70004727

Analogs

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Popular Name: (1R)-2-methyl-1-[5-[(3R)-tetrahydrothiophen-3-yl]-1,2,4-oxadiazol-3-yl]propan-1-amine (1R)-2-methyl-1-[5-[(3R)-tetrahy…

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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)	-0.73	2.24	-43.64	3	4	1	67	228.341	3	↓ MOL2 SDF SMILES Flexibase

70004752

Analogs

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Popular Name: (1S)-2,2-dimethyl-1-[5-[(3S)-tetrahydrothiophen-3-yl]-1,2,4-oxadiazol-3-yl]propan-1-amine (1S)-2,2-dimethyl-1-[5-[(3S)-tet…

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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)	-0.14	2.35	-44.36	3	4	1	67	242.368	3	↓ MOL2 SDF SMILES Flexibase

70004753

Analogs

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Popular Name: (1R)-2,2-dimethyl-1-[5-[(3S)-tetrahydrothiophen-3-yl]-1,2,4-oxadiazol-3-yl]propan-1-amine (1R)-2,2-dimethyl-1-[5-[(3S)-tet…

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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)	-0.14	2.33	-43.87	3	4	1	67	242.368	3	↓ MOL2 SDF SMILES Flexibase

70004756

Analogs

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Popular Name: (1S)-2,2-dimethyl-1-[5-[(3R)-tetrahydrothiophen-3-yl]-1,2,4-oxadiazol-3-yl]propan-1-amine (1S)-2,2-dimethyl-1-[5-[(3R)-tet…

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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)	-0.14	2.38	-43.51	3	4	1	67	242.368	3	↓ MOL2 SDF SMILES Flexibase

70004758

Analogs

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Popular Name: (1R)-2,2-dimethyl-1-[5-[(3R)-tetrahydrothiophen-3-yl]-1,2,4-oxadiazol-3-yl]propan-1-amine (1R)-2,2-dimethyl-1-[5-[(3R)-tet…

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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)	-0.14	2.36	-44.1	3	4	1	67	242.368	3	↓ MOL2 SDF SMILES Flexibase

70004811

Analogs

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Popular Name: 2-[5-[(3S)-tetrahydrothiophen-3-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine 2-[5-[(3S)-tetrahydrothiophen-3-…

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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)	0.85	1.25	-45.59	3	4	1	67	214.314	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.85	1.01	-7.7	2	4	0	65	213.306	2	↓ MOL2 SDF SMILES Flexibase

70004814

Analogs

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Popular Name: 2-[5-[(3R)-tetrahydrothiophen-3-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine 2-[5-[(3R)-tetrahydrothiophen-3-…

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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)	0.85	1.3	-44.72	3	4	1	67	214.314	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.85	1.05	-6.64	2	4	0	65	213.306	2	↓ MOL2 SDF SMILES Flexibase

70004824

Analogs

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Popular Name: 3-[5-[(3S)-tetrahydrothiophen-3-yl]-1,2,4-oxadiazol-3-yl]pentan-3-amine 3-[5-[(3S)-tetrahydrothiophen-3-…

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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	2.73	-44.81	3	4	1	67	242.368	4	↓ MOL2 SDF SMILES Flexibase

70004825

Analogs

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Popular Name: 3-[5-[(3R)-tetrahydrothiophen-3-yl]-1,2,4-oxadiazol-3-yl]pentan-3-amine 3-[5-[(3R)-tetrahydrothiophen-3-…

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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	2.78	-43.92	3	4	1	67	242.368	4	↓ MOL2 SDF SMILES Flexibase

70004838

Analogs

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Popular Name: (2S)-2-[5-[(3S)-tetrahydrothiophen-3-yl]-1,2,4-oxadiazol-3-yl]butan-2-amine (2S)-2-[5-[(3S)-tetrahydrothioph…

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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)	1.36	1.99	-44.1	3	4	1	67	228.341	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.36	1.77	-6.34	2	4	0	65	227.333	3	↓ MOL2 SDF SMILES Flexibase

70004840

Analogs

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Popular Name: (2R)-2-[5-[(3S)-tetrahydrothiophen-3-yl]-1,2,4-oxadiazol-3-yl]butan-2-amine (2R)-2-[5-[(3S)-tetrahydrothioph…

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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)	1.36	1.87	-43.55	3	4	1	67	228.341	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.36	1.61	-7.49	2	4	0	65	227.333	3	↓ MOL2 SDF SMILES Flexibase

70004843

Analogs

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Popular Name: (2S)-2-[5-[(3R)-tetrahydrothiophen-3-yl]-1,2,4-oxadiazol-3-yl]butan-2-amine (2S)-2-[5-[(3R)-tetrahydrothioph…

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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)	1.36	2.04	-43.24	3	4	1	67	228.341	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.36	1.8	-5.42	2	4	0	65	227.333	3	↓ MOL2 SDF SMILES Flexibase

70004845

Analogs

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Popular Name: (2R)-2-[5-[(3R)-tetrahydrothiophen-3-yl]-1,2,4-oxadiazol-3-yl]butan-2-amine (2R)-2-[5-[(3R)-tetrahydrothioph…

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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)	1.36	1.91	-43.23	3	4	1	67	228.341	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.36	1.66	-6.6	2	4	0	65	227.333	3	↓ MOL2 SDF SMILES Flexibase

70004892

Analogs

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Popular Name: 2-[5-[(3S)-tetrahydrothiophen-3-yl]-1,2,4-oxadiazol-3-yl]ethanamine 2-[5-[(3S)-tetrahydrothiophen-3-…

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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)	-0.35	0.86	-49.9	3	4	1	67	200.287	3	↓ MOL2 SDF SMILES Flexibase

70004895

Analogs

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Popular Name: 2-[5-[(3R)-tetrahydrothiophen-3-yl]-1,2,4-oxadiazol-3-yl]ethanamine 2-[5-[(3R)-tetrahydrothiophen-3-…

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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)	-0.35	0.9	-49.98	3	4	1	67	200.287	3	↓ MOL2 SDF SMILES Flexibase

70004908

Analogs

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Popular Name: N-methyl-1-[5-[(3S)-tetrahydrothiophen-3-yl]-1,2,4-oxadiazol-3-yl]methanamine N-methyl-1-[5-[(3S)-tetrahydroth…

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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)	0.22	2.02	-42.69	2	4	1	56	200.287	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.22	0.57	-7.59	1	4	0	51	199.279	3	↓ MOL2 SDF SMILES Flexibase

70004910

Analogs

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Popular Name: N-methyl-1-[5-[(3R)-tetrahydrothiophen-3-yl]-1,2,4-oxadiazol-3-yl]methanamine N-methyl-1-[5-[(3R)-tetrahydroth…

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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)	0.22	2.05	-42.62	2	4	1	56	200.287	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.22	0.61	-6.58	1	4	0	51	199.279	3	↓ MOL2 SDF SMILES Flexibase

70004923

Analogs

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Popular Name: N-methyl-2-[5-[(3S)-tetrahydrothiophen-3-yl]-1,2,4-oxadiazol-3-yl]ethanamine N-methyl-2-[5-[(3S)-tetrahydroth…

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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)	0.63	2.73	-45.64	2	4	1	56	214.314	4	↓ MOL2 SDF SMILES Flexibase

70004925

Analogs

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Popular Name: N-methyl-2-[5-[(3R)-tetrahydrothiophen-3-yl]-1,2,4-oxadiazol-3-yl]ethanamine N-methyl-2-[5-[(3R)-tetrahydroth…

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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)	0.63	2.77	-45.38	2	4	1	56	214.314	4	↓ MOL2 SDF SMILES Flexibase

70004940

Analogs

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Popular Name: N-[[5-[(3S)-tetrahydrothiophen-3-yl]-1,2,4-oxadiazol-3-yl]methyl]ethanamine N-[[5-[(3S)-tetrahydrothiophen-3…

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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)	0.60	2.88	-41.67	2	4	1	56	214.314	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.60	1.51	-7.41	1	4	0	51	213.306	4	↓ MOL2 SDF SMILES Flexibase

70004941

Analogs

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Popular Name: N-[[5-[(3R)-tetrahydrothiophen-3-yl]-1,2,4-oxadiazol-3-yl]methyl]ethanamine N-[[5-[(3R)-tetrahydrothiophen-3…

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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)	0.60	2.91	-41.58	2	4	1	56	214.314	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.60	1.54	-6.37	1	4	0	51	213.306	4	↓ MOL2 SDF SMILES Flexibase

70004956

Analogs

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Popular Name: N-[[5-[(3S)-tetrahydrothiophen-3-yl]-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine N-[[5-[(3S)-tetrahydrothiophen-3…

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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)	0.90	3.41	-39.71	2	4	1	56	228.341	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.90	2.19	-7.24	1	4	0	51	227.333	4	↓ MOL2 SDF SMILES Flexibase

70004959

Analogs

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Popular Name: N-[[5-[(3R)-tetrahydrothiophen-3-yl]-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine N-[[5-[(3R)-tetrahydrothiophen-3…

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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)	0.90	3.44	-39.59	2	4	1	56	228.341	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.90	2.24	-6.18	1	4	0	51	227.333	4	↓ MOL2 SDF SMILES Flexibase

70004988

Analogs

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Popular Name: 3-[5-[(3S)-tetrahydrothiophen-3-yl]-1,2,4-oxadiazol-3-yl]propan-1-amine 3-[5-[(3S)-tetrahydrothiophen-3-…

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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)	-0.08	1.64	-49.03	3	4	1	67	214.314	4	↓ MOL2 SDF SMILES Flexibase

70004991

Analogs

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Popular Name: 3-[5-[(3R)-tetrahydrothiophen-3-yl]-1,2,4-oxadiazol-3-yl]propan-1-amine 3-[5-[(3R)-tetrahydrothiophen-3-…

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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)	-0.08	1.68	-48.96	3	4	1	67	214.314	4	↓ MOL2 SDF SMILES Flexibase

70005008

Analogs

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Popular Name: (2S)-2-[5-[(3S)-tetrahydrothiophen-3-yl]-1,2,4-oxadiazol-3-yl]propan-1-amine (2S)-2-[5-[(3S)-tetrahydrothioph…

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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)	-0.03	1.33	-50.18	3	4	1	67	214.314	3	↓ MOL2 SDF SMILES Flexibase

70005010

Analogs

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Popular Name: (2R)-2-[5-[(3S)-tetrahydrothiophen-3-yl]-1,2,4-oxadiazol-3-yl]propan-1-amine (2R)-2-[5-[(3S)-tetrahydrothioph…

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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)	-0.03	1.34	-50.59	3	4	1	67	214.314	3	↓ MOL2 SDF SMILES Flexibase

70005013

Analogs

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Popular Name: (2S)-2-[5-[(3R)-tetrahydrothiophen-3-yl]-1,2,4-oxadiazol-3-yl]propan-1-amine (2S)-2-[5-[(3R)-tetrahydrothioph…

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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)	-0.03	1.37	-49.99	3	4	1	67	214.314	3	↓ MOL2 SDF SMILES Flexibase

70005016

Analogs

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Popular Name: (2R)-2-[5-[(3R)-tetrahydrothiophen-3-yl]-1,2,4-oxadiazol-3-yl]propan-1-amine (2R)-2-[5-[(3R)-tetrahydrothioph…

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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)	-0.03	1.37	-49.55	3	4	1	67	214.314	3	↓ MOL2 SDF SMILES Flexibase

70005035

Analogs

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Popular Name: (2S)-1-[5-[(3S)-tetrahydrothiophen-3-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine (2S)-1-[5-[(3S)-tetrahydrothioph…

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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)	0.05	1.58	-44.14	3	4	1	67	214.314	3	↓ MOL2 SDF SMILES Flexibase

70005039

Analogs

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Popular Name: (2R)-1-[5-[(3S)-tetrahydrothiophen-3-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine (2R)-1-[5-[(3S)-tetrahydrothioph…

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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)	0.05	1.45	-41.12	3	4	1	67	214.314	3	↓ MOL2 SDF SMILES Flexibase

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SQL Query Was

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