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ZINC Item

Suppliers, Protomers, & Similar Substances

69981415

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(chloromethyl)-5-[(2R)-tetrahydrothiophen-2-yl]-1,3,4-oxadiazole 2-(chloromethyl)-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)	0.46	1.17	-9.23	0	3	0	39	204.682	2	↓ MOL2 SDF SMILES Flexibase

69981419

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(chloromethyl)-5-[(2S)-tetrahydrothiophen-2-yl]-1,3,4-oxadiazole 2-(chloromethyl)-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)	0.46	1.18	-9.67	0	3	0	39	204.682	2	↓ MOL2 SDF SMILES Flexibase

69981442

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S)-1-chloroethyl]-5-[(2S)-tetrahydrothiophen-2-yl]-1,3,4-oxadiazole 2-[(1S)-1-chloroethyl]-5-[(2S)-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)	0.82	1.85	-8.79	0	3	0	39	218.709	2	↓ MOL2 SDF SMILES Flexibase

69981445

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R)-1-chloroethyl]-5-[(2S)-tetrahydrothiophen-2-yl]-1,3,4-oxadiazole 2-[(1R)-1-chloroethyl]-5-[(2S)-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)	0.82	1.85	-9.17	0	3	0	39	218.709	2	↓ MOL2 SDF SMILES Flexibase

69981448

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S)-1-chloroethyl]-5-[(2R)-tetrahydrothiophen-2-yl]-1,3,4-oxadiazole 2-[(1S)-1-chloroethyl]-5-[(2R)-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)	0.82	1.88	-9.43	0	3	0	39	218.709	2	↓ MOL2 SDF SMILES Flexibase

69981460

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R)-1-chloroethyl]-5-[(2R)-tetrahydrothiophen-2-yl]-1,3,4-oxadiazole 2-[(1R)-1-chloroethyl]-5-[(2R)-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)	0.82	1.88	-9.06	0	3	0	39	218.709	2	↓ MOL2 SDF SMILES Flexibase

69981487

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-chloroethyl)-5-[(2R)-tetrahydrothiophen-2-yl]-1,3,4-oxadiazole 2-(2-chloroethyl)-5-[(2R)-tetrah…

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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)	0.66	1.96	-8.61	0	3	0	39	218.709	3	↓ MOL2 SDF SMILES Flexibase

69981489

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-chloroethyl)-5-[(2S)-tetrahydrothiophen-2-yl]-1,3,4-oxadiazole 2-(2-chloroethyl)-5-[(2S)-tetrah…

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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)	0.66	1.97	-8.4	0	3	0	39	218.709	3	↓ MOL2 SDF SMILES Flexibase

69981505

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-chloropropyl)-5-[(2R)-tetrahydrothiophen-2-yl]-1,3,4-oxadiazole 2-(3-chloropropyl)-5-[(2R)-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)	0.94	2.73	-10.65	0	3	0	39	232.736	4	↓ MOL2 SDF SMILES Flexibase

69981510

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-chloropropyl)-5-[(2S)-tetrahydrothiophen-2-yl]-1,3,4-oxadiazole 2-(3-chloropropyl)-5-[(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)	0.94	2.74	-10.95	0	3	0	39	232.736	4	↓ MOL2 SDF SMILES Flexibase

69981526

Analogs

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Popular Name: 2-[(1S)-1-bromopropyl]-5-[(2S)-tetrahydrothiophen-2-yl]-1,3,4-oxadiazole 2-[(1S)-1-bromopropyl]-5-[(2S)-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)	1.45	2.67	-7.94	0	3	0	39	277.187	3	↓ MOL2 SDF SMILES Flexibase

69981530

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R)-1-bromopropyl]-5-[(2S)-tetrahydrothiophen-2-yl]-1,3,4-oxadiazole 2-[(1R)-1-bromopropyl]-5-[(2S)-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)	1.45	2.66	-8.23	0	3	0	39	277.187	3	↓ MOL2 SDF SMILES Flexibase

69981535

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S)-1-bromopropyl]-5-[(2R)-tetrahydrothiophen-2-yl]-1,3,4-oxadiazole 2-[(1S)-1-bromopropyl]-5-[(2R)-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)	1.45	2.7	-8.44	0	3	0	39	277.187	3	↓ MOL2 SDF SMILES Flexibase

69981538

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R)-1-bromopropyl]-5-[(2R)-tetrahydrothiophen-2-yl]-1,3,4-oxadiazole 2-[(1R)-1-bromopropyl]-5-[(2R)-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)	1.45	2.69	-8.16	0	3	0	39	277.187	3	↓ MOL2 SDF SMILES Flexibase

69981706

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2R)-tetrahydrothiophen-2-yl]-1,3,4-oxadiazol-2-amine 5-[(2R)-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)	-0.07	-2.03	-10.02	2	4	0	65	171.225	1	↓ MOL2 SDF SMILES Flexibase

69981710

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2S)-tetrahydrothiophen-2-yl]-1,3,4-oxadiazol-2-amine 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)	-0.07	-2.02	-9.92	2	4	0	65	171.225	1	↓ MOL2 SDF SMILES Flexibase

69985352

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2R)-tetrahydrothiophen-2-yl]-1,3,4-oxadiazole-2-thiol 5-[(2R)-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)	0.84	0.37	-41.75	0	3	-1	39	187.269	1	↓ MOL2 SDF SMILES Flexibase

69985353

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2S)-tetrahydrothiophen-2-yl]-1,3,4-oxadiazole-2-thiol 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)	0.84	0.39	-41.79	0	3	-1	39	187.269	1	↓ MOL2 SDF SMILES Flexibase

69985360

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(2R)-tetrahydrothiophen-2-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetic 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)	0.29	1.77	-43.54	0	5	-1	79	245.305	4	↓ MOL2 SDF SMILES Flexibase

69985361

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(2S)-tetrahydrothiophen-2-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetic 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)	0.29	1.78	-43.48	0	5	-1	79	245.305	4	↓ MOL2 SDF SMILES Flexibase

69987319

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[5-[(2R)-tetrahydrothiophen-2-yl]-1,3,4-oxadiazol-2-yl]propanoic 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)	-0.43	2.03	-45.19	0	5	-1	79	227.265	4	↓ MOL2 SDF SMILES Flexibase

69987321

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[5-[(2S)-tetrahydrothiophen-2-yl]-1,3,4-oxadiazol-2-yl]propanoic 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)	-0.43	2.05	-45.64	0	5	-1	79	227.265	4	↓ MOL2 SDF SMILES Flexibase

69987329

Analogs

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Popular Name: 4-[5-[(2R)-tetrahydrothiophen-2-yl]-1,3,4-oxadiazol-2-yl]butanoic 4-[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)	-0.15	2.82	-50.18	0	5	-1	79	241.292	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	-0.15	0.84	-15.37	1	5	0	76	242.3	5	↓ MOL2 SDF SMILES Flexibase

69987331

Analogs

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Popular Name: 4-[5-[(2S)-tetrahydrothiophen-2-yl]-1,3,4-oxadiazol-2-yl]butanoic 4-[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)	-0.15	2.83	-51.89	0	5	-1	79	241.292	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	-0.15	0.85	-16	1	5	0	76	242.3	5	↓ MOL2 SDF SMILES Flexibase

69987345

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(2R)-tetrahydrothiophen-2-yl]-1,3,4-oxadiazol-2-yl]methoxy]acetic 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)	-0.92	1.24	-51.65	0	6	-1	88	243.264	5	↓ MOL2 SDF SMILES Flexibase

69987346

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(2S)-tetrahydrothiophen-2-yl]-1,3,4-oxadiazol-2-yl]methoxy]acetic 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)	-0.92	1.25	-53.76	0	6	-1	88	243.264	5	↓ MOL2 SDF SMILES Flexibase

70005402

Analogs

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Popular Name: [5-[(2R)-tetrahydrothiophen-2-yl]-1,3,4-oxadiazol-2-yl]methanamine [5-[(2R)-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)	-0.94	-2.05	-52.5	3	4	1	67	186.26	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.94	-2.44	-10.03	2	4	0	65	185.252	2	↓ MOL2 SDF SMILES Flexibase

70005404

Analogs

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Popular Name: [5-[(2S)-tetrahydrothiophen-2-yl]-1,3,4-oxadiazol-2-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)	-0.94	-2.03	-51.19	3	4	1	67	186.26	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.94	-2.43	-10.12	2	4	0	65	185.252	2	↓ MOL2 SDF SMILES Flexibase

70005417

Analogs

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Popular Name: 3-[5-[(2R)-tetrahydrothiophen-2-yl]-1,3,4-oxadiazol-2-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)	-0.87	-0.51	-53.13	3	4	1	67	214.314	4	↓ MOL2 SDF SMILES Flexibase

70005420

Analogs

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Popular Name: 3-[5-[(2S)-tetrahydrothiophen-2-yl]-1,3,4-oxadiazol-2-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)	-0.87	-0.5	-51.84	3	4	1	67	214.314	4	↓ MOL2 SDF SMILES Flexibase

70005433

Analogs

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Popular Name: 2-[5-[(2R)-tetrahydrothiophen-2-yl]-1,3,4-oxadiazol-2-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)	-1.14	-1.29	-54.48	3	4	1	67	200.287	3	↓ MOL2 SDF SMILES Flexibase

70005435

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-[(2S)-tetrahydrothiophen-2-yl]-1,3,4-oxadiazol-2-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)	-1.14	-1.28	-53.42	3	4	1	67	200.287	3	↓ MOL2 SDF SMILES Flexibase

70005460

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[5-[(2S)-tetrahydrothiophen-2-yl]-1,3,4-oxadiazol-2-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)	-2.25	-1.38	-47.48	3	4	1	67	200.287	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-2.25	-1.71	-8.71	2	4	0	65	199.279	2	↓ MOL2 SDF SMILES Flexibase

70005462

Analogs

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Popular Name: (1R)-1-[5-[(2S)-tetrahydrothiophen-2-yl]-1,3,4-oxadiazol-2-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)	-2.25	-1.39	-46.43	3	4	1	67	200.287	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-2.25	-1.78	-9.52	2	4	0	65	199.279	2	↓ MOL2 SDF SMILES Flexibase

70005464

Analogs

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Popular Name: (1S)-1-[5-[(2R)-tetrahydrothiophen-2-yl]-1,3,4-oxadiazol-2-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)	-2.25	-1.35	-46.75	3	4	1	67	200.287	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-2.25	-1.68	-9.24	2	4	0	65	199.279	2	↓ MOL2 SDF SMILES Flexibase

70005467

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[5-[(2R)-tetrahydrothiophen-2-yl]-1,3,4-oxadiazol-2-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)	-2.25	-1.36	-47.83	3	4	1	67	200.287	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-2.25	-1.75	-9.84	2	4	0	65	199.279	2	↓ MOL2 SDF SMILES Flexibase

70005486

Analogs

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Popular Name: N-methyl-1-[5-[(2S)-tetrahydrothiophen-2-yl]-1,3,4-oxadiazol-2-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)	-0.56	-0.2	-44.71	2	4	1	56	200.287	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.56	-1.64	-9.07	1	4	0	51	199.279	3	↓ MOL2 SDF SMILES Flexibase

70005487

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[5-[(2R)-tetrahydrothiophen-2-yl]-1,3,4-oxadiazol-2-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)	-0.56	-0.17	-46.23	2	4	1	56	200.287	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.56	-1.61	-9.16	1	4	0	51	199.279	3	↓ MOL2 SDF SMILES Flexibase

70005500

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[(2S)-tetrahydrothiophen-2-yl]-1,3,4-oxadiazol-2-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)	-0.19	0.66	-43.76	2	4	1	56	214.314	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.19	-0.7	-8.95	1	4	0	51	213.306	4	↓ MOL2 SDF SMILES Flexibase

70005503

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[(2R)-tetrahydrothiophen-2-yl]-1,3,4-oxadiazol-2-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)	-0.19	0.69	-45.18	2	4	1	56	214.314	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.19	-0.67	-8.97	1	4	0	51	213.306	4	↓ MOL2 SDF SMILES Flexibase

70005518

Analogs

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Popular Name: N-[[5-[(2S)-tetrahydrothiophen-2-yl]-1,3,4-oxadiazol-2-yl]methyl]propan-1-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)	0.32	1.41	-44.59	2	4	1	56	228.341	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.32	0.06	-8.79	1	4	0	51	227.333	5	↓ MOL2 SDF SMILES Flexibase

70005521

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[(2R)-tetrahydrothiophen-2-yl]-1,3,4-oxadiazol-2-yl]methyl]propan-1-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)	0.32	1.44	-46.05	2	4	1	56	228.341	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.32	0.09	-8.81	1	4	0	51	227.333	5	↓ MOL2 SDF SMILES Flexibase

70005537

Analogs

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Popular Name: N-[[5-[(2S)-tetrahydrothiophen-2-yl]-1,3,4-oxadiazol-2-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)	0.11	1.18	-41.88	2	4	1	56	228.341	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.11	-0.03	-8.82	1	4	0	51	227.333	4	↓ MOL2 SDF SMILES Flexibase

70005540

Analogs

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Popular Name: N-[[5-[(2R)-tetrahydrothiophen-2-yl]-1,3,4-oxadiazol-2-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)	0.11	1.21	-43.29	2	4	1	56	228.341	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.11	0	-8.82	1	4	0	51	227.333	4	↓ MOL2 SDF SMILES Flexibase

70005567

Analogs

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

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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)	0.62	1.62	-39.27	2	4	1	56	242.368	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.62	0.37	-8.54	1	4	0	51	241.36	4	↓ MOL2 SDF SMILES Flexibase

70005570

Analogs

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

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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)	0.62	1.65	-40.76	2	4	1	56	242.368	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.62	0.41	-8.51	1	4	0	51	241.36	4	↓ MOL2 SDF SMILES Flexibase

70005580

Analogs

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Popular Name: N-methyl-3-[5-[(2S)-tetrahydrothiophen-2-yl]-1,3,4-oxadiazol-2-yl]propan-1-amine N-methyl-3-[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)	0.12	1.34	-46.55	2	4	1	56	228.341	5	↓ MOL2 SDF SMILES Flexibase

70005583

Analogs

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Popular Name: N-methyl-3-[5-[(2R)-tetrahydrothiophen-2-yl]-1,3,4-oxadiazol-2-yl]propan-1-amine N-methyl-3-[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)	0.12	1.37	-48.03	2	4	1	56	228.341	5	↓ MOL2 SDF SMILES Flexibase

70005596

Analogs

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

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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	2.19	-46.05	2	4	1	56	242.368	6	↓ MOL2 SDF SMILES Flexibase

70005598

Analogs

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

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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	2.22	-47.46	2	4	1	56	242.368	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 510923
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 510923 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=510923&filter.purchasability=annotated

Embed Link to Results

<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
        "ring.id": "510923"        

    });
</script>

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