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ZINC Item

Suppliers, Protomers, & Similar Substances

39763717

Analogs

4330303
12515175

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2-methoxyacetyl)amino]-N-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]benzamide 2-[(2-methoxyacetyl)amino]-N-[5-…

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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	3.62	-19.5	2	11	0	152	397.347	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.96	2.15	-44.26	1	11	-1	159	396.339	7	↓ MOL2 SDF SMILES Flexibase

39763788

Analogs

9001632
9293192
9293190

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]-2-[(2-nitrophenyl)sulfonylamino]benzamide N-[5-(4-nitrophenyl)-1,3,4-oxadi…

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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)	3.41	5.88	-65.52	1	14	-1	208	509.436	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.48	3.87	-122.09	0	14	-2	214	508.428	8	↓ MOL2 SDF SMILES Flexibase

39763850

Analogs

12515632
4276178
12515248

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-6-methyl-N-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]benzothiophene-2-carboxamide 3-chloro-6-methyl-N-[5-(4-nitrop…

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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)	5.02	6.76	-14.24	1	8	0	114	414.83	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.09	3.91	-46.25	0	8	-1	120	413.822	4	↓ MOL2 SDF SMILES Flexibase

5563493

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]ethyl 1-[5-(2-thienyl)-1,3,4-oxadiazol…

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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)	2.80	-1.47	-16.96	0	7	0	85	397.456	7	↓ MOL2 SDF SMILES Flexibase

5563495

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]ethyl 1-[5-(2-thienyl)-1,3,4-oxadiazol…

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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)	2.80	-1.47	-16.24	0	7	0	85	397.456	7	↓ MOL2 SDF SMILES Flexibase

5778007

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl [5-(3,4,5-trimethoxyphenyl)-1,3,…

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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)	3.58	1.2	-11.25	0	8	0	92	398.415	8	↓ MOL2 SDF SMILES Flexibase

5778236

Analogs

5609954

Draw Identity 99% 90% 80% 70%

Popular Name: (5-phenyl-1,3,4-oxadiazol-2-yl)carbamoylmethyl (5-phenyl-1,3,4-oxadiazol-2-yl)c…

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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)	3.73	-0.6	-17.17	1	7	0	94	351.362	6	↓ MOL2 SDF SMILES Flexibase

5778276

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzotriazole 1-[[5-(4-bromophenyl)-1,3,4-oxad…

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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)	3.18	-2.06	-12.1	0	6	0	69	356.183	3	↓ MOL2 SDF SMILES Flexibase

5778635

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl (5-phenyl-1,3,4-oxadiazol-2-yl)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)	4.35	8.37	-15.71	0	7	0	88	404.422	7	↓ MOL2 SDF SMILES Flexibase

5778641

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-7-hydroxy-8-methyl-chromen-2-one 4-[[5-(3,4-dimethylphenyl)-1,3,4…

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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)	5.29	-1.39	-13.78	1	6	0	89	394.452	4	↓ MOL2 SDF SMILES Flexibase

5778672

Analogs

7193723

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-cyclopentylpyrazol-3-yl)-2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide N-(2-cyclopentylpyrazol-3-yl)-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)	4.13	6.51	-13.83	1	7	0	86	397.504	6	↓ MOL2 SDF SMILES Flexibase

5778706

Analogs

7160276

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-ethan 2-[[5-(3,4-dimethylphenyl)-1,3,4…

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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)	4.23	0.24	-10.56	0	5	0	60	369.49	6	↓ MOL2 SDF SMILES Flexibase

5778715

Analogs

7382107

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide 2-[[5-(3,4-dimethylphenyl)-1,3,4…

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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)	4.02	-2.33	-11.17	1	5	0	68	371.437	6	↓ MOL2 SDF SMILES Flexibase

5778720

Analogs

1107353

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1,2-diphenyl-ethanone 2-[[5-(3,4-dimethylphenyl)-1,3,4…

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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)	6.08	10.13	-9.96	0	4	0	56	400.503	6	↓ MOL2 SDF SMILES Flexibase

5778752

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(1-adamantyl)-2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone 1-(1-adamantyl)-2-[[5-(3,4-dimet…

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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)	5.46	-1.18	-7.81	0	4	0	55	382.529	5	↓ MOL2 SDF SMILES Flexibase

5778755

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,4-dimethoxyphenyl)-2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide N-(2,4-dimethoxyphenyl)-2-[[5-(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)	4.20	-2.12	-11.67	1	7	0	86	399.472	7	↓ MOL2 SDF SMILES Flexibase

5778784

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-5-(3,4-dimethylphenyl)-1,3,4-oxadiazole 2-[[5-(4-chlorophenyl)-1,3,4-oxa…

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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)	5.05	-3.7	-9.35	0	6	0	77	398.875	5	↓ MOL2 SDF SMILES Flexibase

5778789

Analogs

7160232
4913085
4887642

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2,4,6-trimethylphenyl)-ethanone 2-[[5-(3,4-dimethylphenyl)-1,3,4…

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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)	5.70	8.36	-9.4	0	4	0	56	366.486	5	↓ MOL2 SDF SMILES Flexibase

5778792

Analogs

5901103
5391864
5219386

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]et 1-(4-acetyl-3,5-dimethyl-1H-pyrr…

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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)	4.08	-1.03	-13.88	1	6	0	88	383.473	6	↓ MOL2 SDF SMILES Flexibase

5778794

Analogs

7160033

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3,4-dimethylphenyl)-5-[(9-nitro-3,5-dioxabicyclo[4.4.0]deca-6,8,10-trien-7-yl)methylsulfanyl]-1,3 2-(3,4-dimethylphenyl)-5-[(9-nit…

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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)	4.62	-1.51	-12.12	0	8	0	103	399.428	5	↓ MOL2 SDF SMILES Flexibase

5778795

Analogs

7160376
4887705

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(isopropylcarbamoyl)acetamide 2-[[5-(3,4-dimethylphenyl)-1,3,4…

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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)	2.78	-3.8	-19.01	2	7	0	97	348.428	5	↓ MOL2 SDF SMILES Flexibase

5778803

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3,4-dimethylphenyl)-5-[(2-nitrophenyl)methylsulfanyl]-1,3,4-oxadiazole 2-(3,4-dimethylphenyl)-5-[(2-nit…

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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)	4.86	7.22	-14.28	0	6	0	85	341.392	5	↓ MOL2 SDF SMILES Flexibase

5778805

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3,4-dimethylphenyl)-5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,3,4-oxadiazole 2-(3,4-dimethylphenyl)-5-[(5-met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.99	-3.68	-10.92	0	6	0	77	302.359	4	↓ MOL2 SDF SMILES Flexibase

5778808

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-ethoxyphenyl)-ethanone 2-[[5-(3,4-dimethylphenyl)-1,3,4…

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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)	4.93	-0.74	-10.01	0	5	0	65	368.458	7	↓ MOL2 SDF SMILES Flexibase

5778811

Analogs

4925876

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(5-fluoro-2-methoxy-phenyl)-ethanone 2-[[5-(3,4-dimethylphenyl)-1,3,4…

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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)	4.65	0.67	-11.41	0	5	0	65	372.421	6	↓ MOL2 SDF SMILES Flexibase

5778818

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-e 2-[[5-(3,4-dimethylphenyl)-1,3,4…

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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)	4.59	0.37	-10.31	0	5	0	60	383.517	6	↓ MOL2 SDF SMILES Flexibase

5778820

Analogs

5778821
4925881
4925885
5219613

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-indan-5-yl-propan-1-one 2-[[5-(3,4-dimethylphenyl)-1,3,4…

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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)	5.28	-0.26	-8.88	0	4	0	55	378.497	5	↓ MOL2 SDF SMILES Flexibase

5778821

Analogs

4925881
4925885
5778820

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-indan-5-yl-propan-1-one 2-[[5-(3,4-dimethylphenyl)-1,3,4…

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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)	5.28	-0.27	-8.83	0	4	0	55	378.497	5	↓ MOL2 SDF SMILES Flexibase

5778840

Analogs

5778841
5794419
5794421
7160105

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(p-tolyl)propanamide 2-[[5-(3,4-dimethylphenyl)-1,3,4…

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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)	4.97	-1.43	-10.52	1	5	0	68	367.474	5	↓ MOL2 SDF SMILES Flexibase

5778841

Analogs

7160105
5778840

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(p-tolyl)propanamide 2-[[5-(3,4-dimethylphenyl)-1,3,4…

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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)	4.97	-1.42	-10.68	1	5	0	68	367.474	5	↓ MOL2 SDF SMILES Flexibase

5778847

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ace N-(2-cyanoethyl)-N-(3,5-dimethyl…

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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)	4.68	1.36	-15.44	0	6	0	83	420.538	7	↓ MOL2 SDF SMILES Flexibase

5778850

Analogs

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Popular Name: methyl methyl

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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)	3.34	-0.93	-14.67	0	7	0	85	389.477	6	↓ MOL2 SDF SMILES Flexibase

5778855

Analogs

5794593
4925984

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-7-thia-1,5-diazabicyclo[4.3.0]nona-3 4-[[5-(3,4-dimethylphenyl)-1,3,4…

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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)	4.04	-2.16	-14.33	0	6	0	73	370.459	4	↓ MOL2 SDF SMILES Flexibase

5778857

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-8-methyl-2,6-diazabicyclo[4.4.0]deca 3-[[5-(3,4-dimethylphenyl)-1,3,4…

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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)	4.70	7.04	-15.68	0	6	0	73	378.457	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.70	7.45	-39.43	1	6	1	75	379.465	4	↓ MOL2 SDF SMILES Flexibase

5778858

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3,4-dimethylphenyl)-5-[(3-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazole 2-(3,4-dimethylphenyl)-5-[(3-flu…

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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)	5.09	-0.13	-8.17	0	3	0	38	314.385	4	↓ MOL2 SDF SMILES Flexibase

5778860

Analogs

5901279
6425947
7159906
7160068
33683669

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,5-dimethylphenyl)-2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone 1-(2,5-dimethylphenyl)-2-[[5-(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)	5.33	-0.2	-8.61	0	4	0	55	352.459	5	↓ MOL2 SDF SMILES Flexibase

5778862

Analogs

5778865
7159922
7159926

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-[2,5-dimethyl-1-(tetrahydrofuran-2-ylmet 2-[[5-(3,4-dimethylphenyl)-1,3,4…

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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)	4.23	-0.91	-11.88	0	6	0	70	425.554	7	↓ MOL2 SDF SMILES Flexibase

5778865

Analogs

7159922
7159926
5778862

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-[2,5-dimethyl-1-(tetrahydrofuran-2-ylmet 2-[[5-(3,4-dimethylphenyl)-1,3,4…

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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)	4.23	-1.08	-12.49	0	6	0	70	425.554	7	↓ MOL2 SDF SMILES Flexibase

5778867

Analogs

6326587
7160392

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-3-(o-tolyl)-1,2,4-oxadiazole 5-[[5-(3,4-dimethylphenyl)-1,3,4…

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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)	5.46	5.62	-10.59	0	6	0	78	378.457	5	↓ MOL2 SDF SMILES Flexibase

5778869

Analogs

5778872

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(1H-indol-3-yl)propan-1-one 2-[[5-(3,4-dimethylphenyl)-1,3,4…

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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)	5.01	-1.21	-14.76	1	5	0	71	377.469	5	↓ MOL2 SDF SMILES Flexibase

5778872

Analogs

5778869

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(1H-indol-3-yl)propan-1-one 2-[[5-(3,4-dimethylphenyl)-1,3,4…

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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)	5.01	-1.21	-14.75	1	5	0	71	377.469	5	↓ MOL2 SDF SMILES Flexibase

5778876

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl (5-phenyl-1,3,4-oxadiazol-2-yl)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)	3.27	6.96	-16.95	0	8	0	111	351.318	7	↓ MOL2 SDF SMILES Flexibase

5778885

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzonitrile 3-[[5-(3,4-dimethylphenyl)-1,3,4…

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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)	4.68	0.51	-11	0	4	0	62	321.405	4	↓ MOL2 SDF SMILES Flexibase

5778888

Analogs

6326604
7192081

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3,4-dimethylphenyl)-5-[(5-fluoro-2-methoxy-phenyl)methylsulfanyl]-1,3,4-oxadiazole 2-(3,4-dimethylphenyl)-5-[(5-flu…

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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)	5.10	6.06	-9.23	0	4	0	48	344.411	5	↓ MOL2 SDF SMILES Flexibase

5778890

Analogs

9762348
5434828

Draw Identity 99% 90% 80% 70%

Popular Name: 8-[2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]-7,7-dioxo-7$l^{6}-thia-8-azabicyc 8-[2-[[5-(3,4-dimethylphenyl)-1,…

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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)	3.51	-6.29	-17.73	0	7	0	93	415.496	5	↓ MOL2 SDF SMILES Flexibase

5778904

Analogs

4914420
4887642

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-ethylphenyl)-ethanone 2-[[5-(3,4-dimethylphenyl)-1,3,4…

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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)	5.42	-0.31	-9	0	4	0	55	352.459	6	↓ MOL2 SDF SMILES Flexibase

5778907

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trie 2-[[5-(3,4-dimethylphenyl)-1,3,4…

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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)	4.01	-1.63	-12.22	0	6	0	74	382.441	5	↓ MOL2 SDF SMILES Flexibase

5778912

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]aminothiophene-3-carboxamide 2-[2-[[5-(3,4-dimethylphenyl)-1,…

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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)	2.69	-5.36	-13.46	3	7	0	111	388.474	6	↓ MOL2 SDF SMILES Flexibase

5778927

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-4-methoxy-phenyl]ethanone 1-[3-[[5-(3,4-dimethylphenyl)-1,…

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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)	4.83	-0.31	-14.2	0	5	0	65	368.458	6	↓ MOL2 SDF SMILES Flexibase

5778930

Analogs

5778940

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-isopropyl-acetamide 2-[[5-(3,4-dimethylphenyl)-1,3,4…

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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)	3.13	-2.72	-10.34	1	5	0	68	305.403	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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