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ZINC Item

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64979864

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(3-chlorophenyl)-3-(1-methylbenzotriazol-5-yl)-1,2,4-oxadiazole 5-(3-chlorophenyl)-3-(1-methylbe…

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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)	3.77	5.73	-13.07	0	6	0	70	311.732	2	↓ MOL2 SDF SMILES Flexibase

64979865

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[3-(1-methylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]benzonitrile 4-[3-(1-methylbenzotriazol-5-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)	2.88	5.61	-15.05	0	7	0	93	302.297	2	↓ MOL2 SDF SMILES Flexibase

64979866

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(3,5-dimethoxyphenyl)-3-(1-methylbenzotriazol-5-yl)-1,2,4-oxadiazole 5-(3,5-dimethoxyphenyl)-3-(1-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)	3.16	3.83	-13.88	0	8	0	88	337.339	4	↓ MOL2 SDF SMILES Flexibase

64979871

Analogs

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Popular Name: 3-(1-methylbenzotriazol-5-yl)-5-(o-tolyl)-1,2,4-oxadiazole 3-(1-methylbenzotriazol-5-yl)-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)	3.52	5.61	-12.77	0	6	0	70	291.314	2	↓ MOL2 SDF SMILES Flexibase

64979872

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(1-methylbenzotriazol-5-yl)-5-(m-tolyl)-1,2,4-oxadiazole 3-(1-methylbenzotriazol-5-yl)-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)	3.54	5.88	-12.81	0	6	0	70	291.314	2	↓ MOL2 SDF SMILES Flexibase

64979873

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(1-methylbenzotriazol-5-yl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole 3-(1-methylbenzotriazol-5-yl)-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)	2.75	4.36	-14.86	0	9	0	97	367.365	5	↓ MOL2 SDF SMILES Flexibase

64979875

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(2-bromophenyl)-3-(1-methylbenzotriazol-5-yl)-1,2,4-oxadiazole 5-(2-bromophenyl)-3-(1-methylben…

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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)	3.88	5.74	-14.77	0	6	0	70	356.183	2	↓ MOL2 SDF SMILES Flexibase

64979876

Analogs

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Popular Name: 3-(1-methylbenzotriazol-5-yl)-5-(2-methyl-3-nitro-phenyl)-1,2,4-oxadiazole 3-(1-methylbenzotriazol-5-yl)-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)	3.43	6.3	-16.61	0	9	0	115	336.311	3	↓ MOL2 SDF SMILES Flexibase

64979877

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-ethoxyphenyl)-3-(1-methylbenzotriazol-5-yl)-1,2,4-oxadiazole 5-(4-ethoxyphenyl)-3-(1-methylbe…

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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)	3.55	5.45	-12.81	0	7	0	79	321.34	4	↓ MOL2 SDF SMILES Flexibase

64979878

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(2-ethoxyphenyl)-3-(1-methylbenzotriazol-5-yl)-1,2,4-oxadiazole 5-(2-ethoxyphenyl)-3-(1-methylbe…

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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)	3.50	6.31	-16.09	0	7	0	79	321.34	4	↓ MOL2 SDF SMILES Flexibase

64979881

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(3,4-diethoxyphenyl)-3-(1-methylbenzotriazol-5-yl)-1,2,4-oxadiazole 5-(3,4-diethoxyphenyl)-3-(1-meth…

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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)	3.52	6.27	-14.75	0	8	0	88	365.393	6	↓ MOL2 SDF SMILES Flexibase

64979883

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-[3-(1-methylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide N-[3-[3-(1-methylbenzotriazol-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)	2.31	4.12	-22.14	1	8	0	99	334.339	3	↓ MOL2 SDF SMILES Flexibase

64979884

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(1-methylbenzotriazol-5-yl)-5-(3-nitrophenyl)-1,2,4-oxadiazole 3-(1-methylbenzotriazol-5-yl)-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)	3.06	5.92	-17.9	0	9	0	115	322.284	3	↓ MOL2 SDF SMILES Flexibase

64979889

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(2-fluorophenyl)-3-(1-methylbenzotriazol-5-yl)-1,2,4-oxadiazole 5-(2-fluorophenyl)-3-(1-methylbe…

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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)	3.24	5.25	-16.07	0	6	0	70	295.277	2	↓ MOL2 SDF SMILES Flexibase

64979890

Analogs

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Popular Name: 3-(1-methylbenzotriazol-5-yl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole 3-(1-methylbenzotriazol-5-yl)-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)	3.97	6.05	-17.26	0	6	0	70	345.284	3	↓ MOL2 SDF SMILES Flexibase

64979891

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(3-chloro-4-fluoro-phenyl)-3-(1-methylbenzotriazol-5-yl)-1,2,4-oxadiazole 5-(3-chloro-4-fluoro-phenyl)-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)	3.89	5.78	-12.81	0	6	0	70	329.722	2	↓ MOL2 SDF SMILES Flexibase

64979892

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(1-methylbenzotriazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole 3-(1-methylbenzotriazol-5-yl)-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)	4.02	6.22	-12.35	0	6	0	70	345.284	3	↓ MOL2 SDF SMILES Flexibase

64979893

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(2-chlorophenyl)-3-(1-methylbenzotriazol-5-yl)-1,2,4-oxadiazole 5-(2-chlorophenyl)-3-(1-methylbe…

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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)	3.75	5.63	-14.89	0	6	0	70	311.732	2	↓ MOL2 SDF SMILES Flexibase

64979897

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-[3-(1-ethylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methyl-phenyl]acetamide N-[5-[3-(1-ethylbenzotriazol-5-y…

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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)	3.09	5.83	-21.21	1	8	0	99	362.393	4	↓ MOL2 SDF SMILES Flexibase

64979913

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[3-(1-ethylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]benzonitrile 4-[3-(1-ethylbenzotriazol-5-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)	3.25	6.5	-14.67	0	7	0	93	316.324	3	↓ MOL2 SDF SMILES Flexibase

64979918

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(1-ethylbenzotriazol-5-yl)-5-(o-tolyl)-1,2,4-oxadiazole 3-(1-ethylbenzotriazol-5-yl)-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)	3.90	6.49	-12.35	0	6	0	70	305.341	3	↓ MOL2 SDF SMILES Flexibase

64979919

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(1-ethylbenzotriazol-5-yl)-5-(m-tolyl)-1,2,4-oxadiazole 3-(1-ethylbenzotriazol-5-yl)-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)	3.92	6.76	-12.37	0	6	0	70	305.341	3	↓ MOL2 SDF SMILES Flexibase

64979920

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(1-ethylbenzotriazol-5-yl)-5-(p-tolyl)-1,2,4-oxadiazole 3-(1-ethylbenzotriazol-5-yl)-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)	3.94	6.77	-12.24	0	6	0	70	305.341	3	↓ MOL2 SDF SMILES Flexibase

64979921

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(1-ethylbenzotriazol-5-yl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole 3-(1-ethylbenzotriazol-5-yl)-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)	3.13	5.23	-14.35	0	9	0	97	381.392	6	↓ MOL2 SDF SMILES Flexibase

64979923

Analogs

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Popular Name: 5-(4-bromophenyl)-3-(1-ethylbenzotriazol-5-yl)-1,2,4-oxadiazole 5-(4-bromophenyl)-3-(1-ethylbenz…

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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)	4.31	6.72	-11.29	0	6	0	70	370.21	3	↓ MOL2 SDF SMILES Flexibase

64979924

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(1-ethylbenzotriazol-5-yl)-5-(4-fluorophenyl)-1,2,4-oxadiazole 3-(1-ethylbenzotriazol-5-yl)-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)	3.66	6.15	-11.71	0	6	0	70	309.304	3	↓ MOL2 SDF SMILES Flexibase

64979925

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-chlorophenyl)-3-(1-ethylbenzotriazol-5-yl)-1,2,4-oxadiazole 5-(4-chlorophenyl)-3-(1-ethylben…

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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)	4.17	6.61	-11.46	0	6	0	70	325.759	3	↓ MOL2 SDF SMILES Flexibase

64979926

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(2-bromophenyl)-3-(1-ethylbenzotriazol-5-yl)-1,2,4-oxadiazole 5-(2-bromophenyl)-3-(1-ethylbenz…

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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)	4.26	6.61	-14.43	0	6	0	70	370.21	3	↓ MOL2 SDF SMILES Flexibase

64979928

Analogs

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Popular Name: 5-(4-ethoxyphenyl)-3-(1-ethylbenzotriazol-5-yl)-1,2,4-oxadiazole 5-(4-ethoxyphenyl)-3-(1-ethylben…

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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)	3.93	6.32	-12.38	0	7	0	79	335.367	5	↓ MOL2 SDF SMILES Flexibase

64979932

Analogs

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Popular Name: 5-(3-bromophenyl)-3-(1-ethylbenzotriazol-5-yl)-1,2,4-oxadiazole 5-(3-bromophenyl)-3-(1-ethylbenz…

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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)	4.28	6.71	-12.7	0	6	0	70	370.21	3	↓ MOL2 SDF SMILES Flexibase

64979933

Analogs

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Popular Name: 3-(1-ethylbenzotriazol-5-yl)-5-(3-methyl-4-nitro-phenyl)-1,2,4-oxadiazole 3-(1-ethylbenzotriazol-5-yl)-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)	3.83	7.41	-13.55	0	9	0	115	350.338	4	↓ MOL2 SDF SMILES Flexibase

64979934

Analogs

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Popular Name: 3-(1-ethylbenzotriazol-5-yl)-5-(3-nitrophenyl)-1,2,4-oxadiazole 3-(1-ethylbenzotriazol-5-yl)-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)	3.43	6.8	-17.52	0	9	0	115	336.311	4	↓ MOL2 SDF SMILES Flexibase

64979935

Analogs

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Popular Name: 5-(3,4-dichlorophenyl)-3-(1-ethylbenzotriazol-5-yl)-1,2,4-oxadiazole 5-(3,4-dichlorophenyl)-3-(1-ethy…

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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)	4.78	7.06	-11.89	0	6	0	70	360.204	3	↓ MOL2 SDF SMILES Flexibase

64979937

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[3-(1-ethylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide N-[4-[3-(1-ethylbenzotriazol-5-y…

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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)	2.71	4.98	-17.39	1	8	0	99	348.366	4	↓ MOL2 SDF SMILES Flexibase

64979939

Analogs

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Popular Name: 3-(1-ethylbenzotriazol-5-yl)-5-phenyl-1,2,4-oxadiazole 3-(1-ethylbenzotriazol-5-yl)-5-p…

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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)	3.50	6.09	-12.61	0	6	0	70	291.314	3	↓ MOL2 SDF SMILES Flexibase

64979942

Analogs

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Popular Name: 3-(1-ethylbenzotriazol-5-yl)-5-(3-fluorophenyl)-1,2,4-oxadiazole 3-(1-ethylbenzotriazol-5-yl)-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)	3.64	6.16	-13.22	0	6	0	70	309.304	3	↓ MOL2 SDF SMILES Flexibase

64979943

Analogs

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Popular Name: 3-(1-ethylbenzotriazol-5-yl)-5-(2-fluorophenyl)-1,2,4-oxadiazole 3-(1-ethylbenzotriazol-5-yl)-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)	3.61	6.12	-15.7	0	6	0	70	309.304	3	↓ MOL2 SDF SMILES Flexibase

64979946

Analogs

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Popular Name: 5-(3-chloro-4-fluoro-phenyl)-3-(1-ethylbenzotriazol-5-yl)-1,2,4-oxadiazole 5-(3-chloro-4-fluoro-phenyl)-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)	4.27	6.64	-12.42	0	6	0	70	343.749	3	↓ MOL2 SDF SMILES Flexibase

64979947

Analogs

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Popular Name: 3-(1-ethylbenzotriazol-5-yl)-5-(3-fluoro-4-methyl-phenyl)-1,2,4-oxadiazole 3-(1-ethylbenzotriazol-5-yl)-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)	4.04	6.8	-13.06	0	6	0	70	323.331	3	↓ MOL2 SDF SMILES Flexibase

64979948

Analogs

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Popular Name: 3-(1-ethylbenzotriazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole 3-(1-ethylbenzotriazol-5-yl)-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)	4.39	7.09	-11.91	0	6	0	70	359.311	4	↓ MOL2 SDF SMILES Flexibase

64979949

Analogs

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Popular Name: 5-(2-chlorophenyl)-3-(1-ethylbenzotriazol-5-yl)-1,2,4-oxadiazole 5-(2-chlorophenyl)-3-(1-ethylben…

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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	-14.54	0	6	0	70	325.759	3	↓ MOL2 SDF SMILES Flexibase

64979973

Analogs

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Popular Name: 5-(3-chlorophenyl)-3-(1-propylbenzotriazol-5-yl)-1,2,4-oxadiazole 5-(3-chlorophenyl)-3-(1-propylbe…

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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	7.36	-12.24	0	6	0	70	339.786	4	↓ MOL2 SDF SMILES Flexibase

64979974

Analogs

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Popular Name: 4-[3-(1-propylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]benzonitrile 4-[3-(1-propylbenzotriazol-5-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)	3.75	7.26	-14.15	0	7	0	93	330.351	4	↓ MOL2 SDF SMILES Flexibase

64979976

Analogs

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Popular Name: 5-(3,5-dimethoxyphenyl)-3-(1-propylbenzotriazol-5-yl)-1,2,4-oxadiazole 5-(3,5-dimethoxyphenyl)-3-(1-pro…

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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	5.46	-12.96	0	8	0	88	365.393	6	↓ MOL2 SDF SMILES Flexibase

64979977

Analogs

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Popular Name: N,N-dimethyl-3-[3-(1-propylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]aniline N,N-dimethyl-3-[3-(1-propylbenzo…

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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	7.23	-12.51	0	7	0	73	348.41	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.08	8.02	-44.8	1	7	0	74	349.418	5	↓ MOL2 SDF SMILES Flexibase

64979985

Analogs

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Popular Name: 5-(m-tolyl)-3-(1-propylbenzotriazol-5-yl)-1,2,4-oxadiazole 5-(m-tolyl)-3-(1-propylbenzotria…

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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)	4.42	7.52	-11.83	0	6	0	70	319.368	4	↓ MOL2 SDF SMILES Flexibase

64979986

Analogs

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Popular Name: 3-(1-propylbenzotriazol-5-yl)-5-(p-tolyl)-1,2,4-oxadiazole 3-(1-propylbenzotriazol-5-yl)-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)	4.45	7.53	-11.79	0	6	0	70	319.368	4	↓ MOL2 SDF SMILES Flexibase

64979987

Analogs

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Popular Name: 3-(1-propylbenzotriazol-5-yl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole 3-(1-propylbenzotriazol-5-yl)-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)	3.63	5.99	-13.92	0	9	0	97	395.419	7	↓ MOL2 SDF SMILES Flexibase

64979989

Analogs

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Popular Name: 5-(4-bromophenyl)-3-(1-propylbenzotriazol-5-yl)-1,2,4-oxadiazole 5-(4-bromophenyl)-3-(1-propylben…

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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)	4.81	7.47	-10.81	0	6	0	70	384.237	4	↓ MOL2 SDF SMILES Flexibase

64979990

Analogs

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Popular Name: 5-(4-methoxyphenyl)-3-(1-propylbenzotriazol-5-yl)-1,2,4-oxadiazole 5-(4-methoxyphenyl)-3-(1-propylb…

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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)	4.06	6.16	-12.21	0	7	0	79	335.367	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

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 = 374707 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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Embed Link to Results

<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
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