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)	0.10	0.3	-46.71	3	4	1	67	186.26	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.10	-0.1	-8.12	2	4	0	65	185.252	2	↓ MOL2 SDF SMILES Flexibase

70004618

Analogs

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Popular Name: [5-[(2S)-tetrahydrothiophen-2-yl]-1,2,4-oxadiazol-3-yl]methanamine [5-[(2S)-tetrahydrothiophen-2-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)	0.10	0.32	-47.79	3	4	1	67	186.26	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.10	-0.08	-7.84	2	4	0	65	185.252	2	↓ MOL2 SDF SMILES Flexibase

70004638

Analogs

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Popular Name: (1S)-1-[5-[(2S)-tetrahydrothiophen-2-yl]-1,2,4-oxadiazol-3-yl]ethanamine (1S)-1-[5-[(2S)-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)	-1.21	0.82	-44.25	3	4	1	67	200.287	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-1.21	0.51	-7.73	2	4	0	65	199.279	2	↓ MOL2 SDF SMILES Flexibase

70004639

Analogs

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Popular Name: (1R)-1-[5-[(2S)-tetrahydrothiophen-2-yl]-1,2,4-oxadiazol-3-yl]ethanamine (1R)-1-[5-[(2S)-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)	-1.21	0.82	-43.15	3	4	1	67	200.287	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-1.21	0.45	-8.29	2	4	0	65	199.279	2	↓ MOL2 SDF SMILES Flexibase

70004642

Analogs

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Popular Name: (1S)-1-[5-[(2R)-tetrahydrothiophen-2-yl]-1,2,4-oxadiazol-3-yl]ethanamine (1S)-1-[5-[(2R)-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)	-1.21	0.85	-43.36	3	4	1	67	200.287	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-1.21	0.54	-8.12	2	4	0	65	199.279	2	↓ MOL2 SDF SMILES Flexibase

70004644

Analogs

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Popular Name: (1R)-1-[5-[(2R)-tetrahydrothiophen-2-yl]-1,2,4-oxadiazol-3-yl]ethanamine (1R)-1-[5-[(2R)-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)	-1.21	0.85	-44.4	3	4	1	67	200.287	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-1.21	0.48	-8.45	2	4	0	65	199.279	2	↓ MOL2 SDF SMILES Flexibase

70004667

Analogs

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Popular Name: (1S)-1-[5-[(2S)-tetrahydrothiophen-2-yl]-1,2,4-oxadiazol-3-yl]propan-1-amine (1S)-1-[5-[(2S)-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)	-0.71	1.63	-42.88	3	4	1	67	214.314	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.71	1.34	-6.4	2	4	0	65	213.306	3	↓ MOL2 SDF SMILES Flexibase

70004670

Analogs

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Popular Name: (1R)-1-[5-[(2S)-tetrahydrothiophen-2-yl]-1,2,4-oxadiazol-3-yl]propan-1-amine (1R)-1-[5-[(2S)-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)	-0.71	1.63	-41.69	3	4	1	67	214.314	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.71	1.32	-7.78	2	4	0	65	213.306	3	↓ MOL2 SDF SMILES Flexibase

70004673

Analogs

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Popular Name: (1S)-1-[5-[(2R)-tetrahydrothiophen-2-yl]-1,2,4-oxadiazol-3-yl]propan-1-amine (1S)-1-[5-[(2R)-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)	-0.71	1.66	-41.93	3	4	1	67	214.314	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.71	1.37	-6.42	2	4	0	65	213.306	3	↓ MOL2 SDF SMILES Flexibase

70004674

Analogs

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Popular Name: (1R)-1-[5-[(2R)-tetrahydrothiophen-2-yl]-1,2,4-oxadiazol-3-yl]propan-1-amine (1R)-1-[5-[(2R)-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)	-0.71	1.66	-43.08	3	4	1	67	214.314	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.71	1.35	-7.62	2	4	0	65	213.306	3	↓ MOL2 SDF SMILES Flexibase

70004698

Analogs

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Popular Name: (1S)-1-[5-[(2S)-tetrahydrothiophen-2-yl]-1,2,4-oxadiazol-3-yl]butan-1-amine (1S)-1-[5-[(2S)-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)	-0.15	2.4	-44.14	3	4	1	67	228.341	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.15	2.11	-6.35	2	4	0	65	227.333	4	↓ MOL2 SDF SMILES Flexibase

70004700

Analogs

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Popular Name: (1R)-1-[5-[(2S)-tetrahydrothiophen-2-yl]-1,2,4-oxadiazol-3-yl]butan-1-amine (1R)-1-[5-[(2S)-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)	-0.15	2.4	-42.77	3	4	1	67	228.341	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.15	2.08	-7.68	2	4	0	65	227.333	4	↓ MOL2 SDF SMILES Flexibase

70004703

Analogs

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Popular Name: (1S)-1-[5-[(2R)-tetrahydrothiophen-2-yl]-1,2,4-oxadiazol-3-yl]butan-1-amine (1S)-1-[5-[(2R)-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)	-0.15	2.43	-43.02	3	4	1	67	228.341	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.15	2.14	-6.31	2	4	0	65	227.333	4	↓ MOL2 SDF SMILES Flexibase

70004705

Analogs

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Popular Name: (1R)-1-[5-[(2R)-tetrahydrothiophen-2-yl]-1,2,4-oxadiazol-3-yl]butan-1-amine (1R)-1-[5-[(2R)-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)	-0.15	2.43	-44.21	3	4	1	67	228.341	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.15	2.11	-7.58	2	4	0	65	227.333	4	↓ MOL2 SDF SMILES Flexibase

70004730

Analogs

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Popular Name: (1S)-2-methyl-1-[5-[(2S)-tetrahydrothiophen-2-yl]-1,2,4-oxadiazol-3-yl]propan-1-amine (1S)-2-methyl-1-[5-[(2S)-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)	-0.47	1.89	-43.53	3	4	1	67	228.341	3	↓ MOL2 SDF SMILES Flexibase

70004734

Analogs

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Popular Name: (1R)-2-methyl-1-[5-[(2S)-tetrahydrothiophen-2-yl]-1,2,4-oxadiazol-3-yl]propan-1-amine (1R)-2-methyl-1-[5-[(2S)-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)	-0.47	2.35	-41.56	3	4	1	67	228.341	3	↓ MOL2 SDF SMILES Flexibase

70004737

Analogs

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Popular Name: (1S)-2-methyl-1-[5-[(2R)-tetrahydrothiophen-2-yl]-1,2,4-oxadiazol-3-yl]propan-1-amine (1S)-2-methyl-1-[5-[(2R)-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)	-0.47	1.92	-42.19	3	4	1	67	228.341	3	↓ MOL2 SDF SMILES Flexibase

70004740

Analogs

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Popular Name: (1R)-2-methyl-1-[5-[(2R)-tetrahydrothiophen-2-yl]-1,2,4-oxadiazol-3-yl]propan-1-amine (1R)-2-methyl-1-[5-[(2R)-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)	-0.47	2.39	-43.11	3	4	1	67	228.341	3	↓ MOL2 SDF SMILES Flexibase

70004761

Analogs

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Popular Name: (1S)-2,2-dimethyl-1-[5-[(2S)-tetrahydrothiophen-2-yl]-1,2,4-oxadiazol-3-yl]propan-1-amine (1S)-2,2-dimethyl-1-[5-[(2S)-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)	0.11	2.49	-43.54	3	4	1	67	242.368	3	↓ MOL2 SDF SMILES Flexibase

70004762

Analogs

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Popular Name: (1R)-2,2-dimethyl-1-[5-[(2S)-tetrahydrothiophen-2-yl]-1,2,4-oxadiazol-3-yl]propan-1-amine (1R)-2,2-dimethyl-1-[5-[(2S)-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)	0.11	2.47	-41.8	3	4	1	67	242.368	3	↓ MOL2 SDF SMILES Flexibase

70004772

Analogs

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Popular Name: (1S)-2,2-dimethyl-1-[5-[(2R)-tetrahydrothiophen-2-yl]-1,2,4-oxadiazol-3-yl]propan-1-amine (1S)-2,2-dimethyl-1-[5-[(2R)-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)	0.11	2.52	-41.96	3	4	1	67	242.368	3	↓ MOL2 SDF SMILES Flexibase

70004774

Analogs

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Popular Name: (1R)-2,2-dimethyl-1-[5-[(2R)-tetrahydrothiophen-2-yl]-1,2,4-oxadiazol-3-yl]propan-1-amine (1R)-2,2-dimethyl-1-[5-[(2R)-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)	0.11	2.5	-43.69	3	4	1	67	242.368	3	↓ MOL2 SDF SMILES Flexibase

70004815

Analogs

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Popular Name: 2-[5-[(2S)-tetrahydrothiophen-2-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine 2-[5-[(2S)-tetrahydrothiophen-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)	1.11	1.41	-43.39	3	4	1	67	214.314	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.11	1.17	-8.11	2	4	0	65	213.306	2	↓ MOL2 SDF SMILES Flexibase

70004817

Analogs

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Popular Name: 2-[5-[(2R)-tetrahydrothiophen-2-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine 2-[5-[(2R)-tetrahydrothiophen-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)	1.11	1.44	-43.71	3	4	1	67	214.314	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.11	1.2	-7.83	2	4	0	65	213.306	2	↓ MOL2 SDF SMILES Flexibase

70004826

Analogs

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Popular Name: 3-[5-[(2S)-tetrahydrothiophen-2-yl]-1,2,4-oxadiazol-3-yl]pentan-3-amine 3-[5-[(2S)-tetrahydrothiophen-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)	2.12	2.88	-42.52	3	4	1	67	242.368	4	↓ MOL2 SDF SMILES Flexibase

70004829

Analogs

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Popular Name: 3-[5-[(2R)-tetrahydrothiophen-2-yl]-1,2,4-oxadiazol-3-yl]pentan-3-amine 3-[5-[(2R)-tetrahydrothiophen-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)	2.12	2.91	-42.75	3	4	1	67	242.368	4	↓ MOL2 SDF SMILES Flexibase

70004848

Analogs

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Popular Name: (2S)-2-[5-[(2S)-tetrahydrothiophen-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-amine (2S)-2-[5-[(2S)-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)	1.61	2.15	-41.84	3	4	1	67	228.341	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.61	1.87	-7.99	2	4	0	65	227.333	3	↓ MOL2 SDF SMILES Flexibase

70004850

Analogs

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Popular Name: (2R)-2-[5-[(2S)-tetrahydrothiophen-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-amine (2R)-2-[5-[(2S)-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)	1.61	2.02	-40.9	3	4	1	67	228.341	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.61	1.8	-6.46	2	4	0	65	227.333	3	↓ MOL2 SDF SMILES Flexibase

70004852

Analogs

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Popular Name: (2S)-2-[5-[(2R)-tetrahydrothiophen-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-amine (2S)-2-[5-[(2R)-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)	1.61	2.18	-42.18	3	4	1	67	228.341	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.61	1.9	-7.81	2	4	0	65	227.333	3	↓ MOL2 SDF SMILES Flexibase

70004853

Analogs

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Popular Name: (2R)-2-[5-[(2R)-tetrahydrothiophen-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-amine (2R)-2-[5-[(2R)-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)	1.61	2.06	-42.57	3	4	1	67	228.341	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.61	1.83	-6.67	2	4	0	65	227.333	3	↓ MOL2 SDF SMILES Flexibase

70004897

Analogs

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Popular Name: 2-[5-[(2R)-tetrahydrothiophen-2-yl]-1,2,4-oxadiazol-3-yl]ethanamine 2-[5-[(2R)-tetrahydrothiophen-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)	-0.10	1.01	-49.68	3	4	1	67	200.287	3	↓ MOL2 SDF SMILES Flexibase

70004900

Analogs

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Popular Name: 2-[5-[(2S)-tetrahydrothiophen-2-yl]-1,2,4-oxadiazol-3-yl]ethanamine 2-[5-[(2S)-tetrahydrothiophen-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)	-0.10	1.03	-50.48	3	4	1	67	200.287	3	↓ MOL2 SDF SMILES Flexibase

70004912

Analogs

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Popular Name: N-methyl-1-[5-[(2S)-tetrahydrothiophen-2-yl]-1,2,4-oxadiazol-3-yl]methanamine N-methyl-1-[5-[(2S)-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)	0.48	2.16	-40.5	2	4	1	56	200.287	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.48	0.72	-7.74	1	4	0	51	199.279	3	↓ MOL2 SDF SMILES Flexibase

70004915

Analogs

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Popular Name: N-methyl-1-[5-[(2R)-tetrahydrothiophen-2-yl]-1,2,4-oxadiazol-3-yl]methanamine N-methyl-1-[5-[(2R)-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)	0.48	2.19	-41.94	2	4	1	56	200.287	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.48	0.75	-7.71	1	4	0	51	199.279	3	↓ MOL2 SDF SMILES Flexibase

70004928

Analogs

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Popular Name: N-methyl-2-[5-[(2S)-tetrahydrothiophen-2-yl]-1,2,4-oxadiazol-3-yl]ethanamine N-methyl-2-[5-[(2S)-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)	0.88	2.88	-44.15	2	4	1	56	214.314	4	↓ MOL2 SDF SMILES Flexibase

70004931

Analogs

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Popular Name: N-methyl-2-[5-[(2R)-tetrahydrothiophen-2-yl]-1,2,4-oxadiazol-3-yl]ethanamine N-methyl-2-[5-[(2R)-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)	0.88	2.91	-45.3	2	4	1	56	214.314	4	↓ MOL2 SDF SMILES Flexibase

70004945

Analogs

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Popular Name: N-[[5-[(2S)-tetrahydrothiophen-2-yl]-1,2,4-oxadiazol-3-yl]methyl]ethanamine N-[[5-[(2S)-tetrahydrothiophen-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)	0.86	3.02	-39.51	2	4	1	56	214.314	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.86	1.65	-7.51	1	4	0	51	213.306	4	↓ MOL2 SDF SMILES Flexibase

70004948

Analogs

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Popular Name: N-[[5-[(2R)-tetrahydrothiophen-2-yl]-1,2,4-oxadiazol-3-yl]methyl]ethanamine N-[[5-[(2R)-tetrahydrothiophen-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)	0.86	3.05	-40.84	2	4	1	56	214.314	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.86	1.69	-7.49	1	4	0	51	213.306	4	↓ MOL2 SDF SMILES Flexibase

70004962

Analogs

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Popular Name: N-[[5-[(2S)-tetrahydrothiophen-2-yl]-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine N-[[5-[(2S)-tetrahydrothiophen-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)	1.15	3.54	-37.64	2	4	1	56	228.341	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.15	2.33	-7.42	1	4	0	51	227.333	4	↓ MOL2 SDF SMILES Flexibase

70004964

Analogs

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Popular Name: N-[[5-[(2R)-tetrahydrothiophen-2-yl]-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine N-[[5-[(2R)-tetrahydrothiophen-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)	1.15	3.57	-39.01	2	4	1	56	228.341	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.15	2.36	-7.39	1	4	0	51	227.333	4	↓ MOL2 SDF SMILES Flexibase

70004994

Analogs

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Popular Name: 3-[5-[(2R)-tetrahydrothiophen-2-yl]-1,2,4-oxadiazol-3-yl]propan-1-amine 3-[5-[(2R)-tetrahydrothiophen-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)	0.18	1.79	-48.91	3	4	1	67	214.314	4	↓ MOL2 SDF SMILES Flexibase

70004997

Analogs

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Popular Name: 3-[5-[(2S)-tetrahydrothiophen-2-yl]-1,2,4-oxadiazol-3-yl]propan-1-amine 3-[5-[(2S)-tetrahydrothiophen-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)	0.18	1.81	-49.97	3	4	1	67	214.314	4	↓ MOL2 SDF SMILES Flexibase

70005018

Analogs

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Popular Name: (2S)-2-[5-[(2S)-tetrahydrothiophen-2-yl]-1,2,4-oxadiazol-3-yl]propan-1-amine (2S)-2-[5-[(2S)-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)	0.23	1.48	-48.78	3	4	1	67	214.314	3	↓ MOL2 SDF SMILES Flexibase

70005019

Analogs

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Popular Name: (2R)-2-[5-[(2S)-tetrahydrothiophen-2-yl]-1,2,4-oxadiazol-3-yl]propan-1-amine (2R)-2-[5-[(2S)-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)	0.23	1.48	-49.96	3	4	1	67	214.314	3	↓ MOL2 SDF SMILES Flexibase

70005021

Analogs

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Popular Name: (2S)-2-[5-[(2R)-tetrahydrothiophen-2-yl]-1,2,4-oxadiazol-3-yl]propan-1-amine (2S)-2-[5-[(2R)-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)	0.23	1.52	-50.14	3	4	1	67	214.314	3	↓ MOL2 SDF SMILES Flexibase

70005024

Analogs

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Popular Name: (2R)-2-[5-[(2R)-tetrahydrothiophen-2-yl]-1,2,4-oxadiazol-3-yl]propan-1-amine (2R)-2-[5-[(2R)-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)	0.23	1.52	-49.04	3	4	1	67	214.314	3	↓ MOL2 SDF SMILES Flexibase

70005046

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[5-[(2S)-tetrahydrothiophen-2-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine (2S)-1-[5-[(2S)-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)	0.31	1.72	-40.86	3	4	1	67	214.314	3	↓ MOL2 SDF SMILES Flexibase

70005049

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[5-[(2S)-tetrahydrothiophen-2-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine (2R)-1-[5-[(2S)-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)	0.31	1.6	-38.88	3	4	1	67	214.314	3	↓ MOL2 SDF SMILES Flexibase

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SQL Query Was

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