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)	4.01	10.53	-11.86	0	13	0	163	482.453	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.01	12.79	-48.54	1	13	1	165	483.461	8	↓ MOL2 SDF SMILES Flexibase

62566509

Analogs

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Popular Name: 1-[3-nitro-4-[4-[(1S)-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]phe 1-[3-nitro-4-[4-[(1S)-1-[3-[3-(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)	4.66	10.23	-23	0	9	0	108	489.454	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.66	12.41	-66.91	1	9	1	109	490.462	7	↓ MOL2 SDF SMILES Flexibase

62566511

Analogs

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Popular Name: 1-[3-nitro-4-[4-[(1R)-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]phe 1-[3-nitro-4-[4-[(1R)-1-[3-[3-(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)	4.66	10.22	-22.5	0	9	0	108	489.454	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.66	12.41	-66.26	1	9	1	109	490.462	7	↓ MOL2 SDF SMILES Flexibase

57273930

Analogs

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Popular Name: 1-[4-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]phenyl]ethanone 1-[4-[4-[[3-(4-methoxyphenyl)-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)	3.39	6.46	-13.92	0	7	0	72	392.459	6	↓ MOL2 SDF SMILES Flexibase

57274448

Analogs

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Popular Name: 5-[(1S)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethyl]-3-phenyl-1,2,4-oxadiazole 5-[(1S)-1-[4-(4-nitrophenyl)pipe…

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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)	3.96	7.87	-14.15	0	8	0	91	379.42	5	↓ MOL2 SDF SMILES Flexibase

57274452

Analogs

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Popular Name: 5-[(1R)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethyl]-3-phenyl-1,2,4-oxadiazole 5-[(1R)-1-[4-(4-nitrophenyl)pipe…

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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)	3.96	7.88	-14.2	0	8	0	91	379.42	5	↓ MOL2 SDF SMILES Flexibase

57286315

Analogs

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Popular Name: 3-(4-fluorophenyl)-5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole 3-(4-fluorophenyl)-5-[[4-(2-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)	3.61	6.53	-9.07	0	6	0	55	368.412	5	↓ MOL2 SDF SMILES Flexibase

58537610

Analogs

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Popular Name: 2-fluoro-6-[4-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]benzonitril 2-fluoro-6-[4-[[3-[3-(trifluorom…

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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	9.06	-12.65	0	6	0	69	431.393	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.13	11.31	-47.48	1	6	1	70	432.401	5	↓ MOL2 SDF SMILES Flexibase

55036341

Analogs

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Popular Name: 5-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole 5-[[4-(2,3-dimethylphenyl)pipera…

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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)	4.30	8.15	-8.55	0	6	0	55	378.476	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.30	8.13	-37.86	1	6	1	56	379.484	5	↓ MOL2 SDF SMILES Flexibase

55036624

Analogs

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Popular Name: 5-[[(2R)-2-methyl-4-phenyl-piperazin-1-yl]methyl]-3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazole 5-[[(2R)-2-methyl-4-phenyl-piper…

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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)	3.60	7.06	-11.88	0	8	0	73	424.501	7	↓ MOL2 SDF SMILES Flexibase

55036626

Analogs

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Popular Name: 5-[[(2S)-2-methyl-4-phenyl-piperazin-1-yl]methyl]-3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazole 5-[[(2S)-2-methyl-4-phenyl-piper…

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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)	3.60	6.81	-12.05	0	8	0	73	424.501	7	↓ MOL2 SDF SMILES Flexibase

55036709

Analogs

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Popular Name: 3-(4-chlorophenyl)-5-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole 3-(4-chlorophenyl)-5-[[4-(2,5-di…

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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)	4.94	9.32	-6.62	0	5	0	45	382.895	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.94	9.21	-36.99	1	5	1	47	383.903	4	↓ MOL2 SDF SMILES Flexibase

55037108

Analogs

11668041

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Popular Name: 4-[4-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]phenol 4-[4-[[3-[4-(trifluoromethyl)phe…

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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)	3.86	4.8	-9.59	1	6	0	66	404.392	5	↓ MOL2 SDF SMILES Flexibase

55054333

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)	3.61	7.3	-13.17	0	7	0	72	378.432	6	↓ MOL2 SDF SMILES Flexibase

55071838

Analogs

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Popular Name: 3-(3-chlorophenyl)-5-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole 3-(3-chlorophenyl)-5-[[4-(2-etho…

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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)	4.48	7.91	-10.04	0	6	0	55	398.894	6	↓ MOL2 SDF SMILES Flexibase

55089409

Analogs

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Popular Name: 5-[[(2R)-2-methyl-4-(p-tolyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole 5-[[(2R)-2-methyl-4-(p-tolyl)pip…

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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)	4.22	8.18	-8.52	0	5	0	45	348.45	4	↓ MOL2 SDF SMILES Flexibase

55107747

Analogs

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Popular Name: 3-(3-chlorophenyl)-5-[[(2S)-4-(2-methoxyphenyl)-2-methyl-piperazin-1-yl]methyl]-1,2,4-oxadiazole 3-(3-chlorophenyl)-5-[[(2S)-4-(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)	4.43	7.52	-8.75	0	6	0	55	398.894	5	↓ MOL2 SDF SMILES Flexibase

55119497

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)	3.73	8.13	-9.97	0	7	0	72	396.422	6	↓ MOL2 SDF SMILES Flexibase

55154070

Analogs

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Popular Name: 3-(3-chlorophenyl)-5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole 3-(3-chlorophenyl)-5-[[4-(2-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)	4.10	7.29	-9.11	0	6	0	55	384.867	5	↓ MOL2 SDF SMILES Flexibase

55526407

Analogs

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Popular Name: 5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-(p-tolyl)-1,2,4-oxadiazole 5-[[4-(4-methoxyphenyl)piperazin…

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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	6.62	-10.4	0	6	0	55	364.449	5	↓ MOL2 SDF SMILES Flexibase

55526897

Analogs

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Popular Name: 5-[(4-phenylpiperazin-1-yl)methyl]-3-(p-tolyl)-1,2,4-oxadiazole 5-[(4-phenylpiperazin-1-yl)methy…

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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	7.65	-8.95	0	5	0	45	334.423	4	↓ MOL2 SDF SMILES Flexibase

55526901

Analogs

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

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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)	3.60	7.03	-9.98	0	5	0	45	338.386	4	↓ MOL2 SDF SMILES Flexibase

55526902

Analogs

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Popular Name: 5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-(p-tolyl)-1,2,4-oxadiazole 5-[[4-(3-chlorophenyl)piperazin-…

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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)	4.54	7.85	-9.69	0	5	0	45	368.868	4	↓ MOL2 SDF SMILES Flexibase

55526904

Analogs

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Popular Name: 5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole 5-[[4-(2-methoxyphenyl)piperazin…

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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)	3.45	6.47	-10.56	0	6	0	55	350.422	5	↓ MOL2 SDF SMILES Flexibase

55526909

Analogs

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Popular Name: 5-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole 5-[[4-(4-nitrophenyl)piperazin-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)	3.40	7.39	-14.51	0	8	0	91	365.393	5	↓ MOL2 SDF SMILES Flexibase

55545145

Analogs

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Popular Name: 5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole 5-[[4-(4-methoxyphenyl)piperazin…

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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	5.96	-10.6	0	6	0	55	350.422	5	↓ MOL2 SDF SMILES Flexibase

55545152

Analogs

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Popular Name: 3-(2,4-dichlorophenyl)-5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole 3-(2,4-dichlorophenyl)-5-[[4-(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)	4.78	7.43	-9.73	0	6	0	55	419.312	5	↓ MOL2 SDF SMILES Flexibase

55554745

Analogs

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Popular Name: 3-(4-methoxyphenyl)-5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole 3-(4-methoxyphenyl)-5-[[4-(4-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)	3.55	5.26	-10.63	0	7	0	64	380.448	6	↓ MOL2 SDF SMILES Flexibase

55554754

Analogs

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Popular Name: 3-(4-chlorophenyl)-5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole 3-(4-chlorophenyl)-5-[[4-(2-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)	4.12	6.99	-8.78	0	6	0	55	384.867	5	↓ MOL2 SDF SMILES Flexibase

55554969

Analogs

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Popular Name: 3-(m-tolyl)-5-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazole 3-(m-tolyl)-5-[(4-phenylpiperazi…

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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)	3.86	7.64	-9.1	0	5	0	45	334.423	4	↓ MOL2 SDF SMILES Flexibase

55554991

Analogs

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Popular Name: 5-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-3-(p-tolyl)-1,2,4-oxadiazole 5-[[4-(4-nitrophenyl)piperazin-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)	3.85	8.05	-14.23	0	8	0	91	379.42	5	↓ MOL2 SDF SMILES Flexibase

55561867

Analogs

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Popular Name: 3-(2-chlorophenyl)-5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole 3-(2-chlorophenyl)-5-[[4-(4-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)	4.12	6.93	-11.83	0	6	0	55	384.867	5	↓ MOL2 SDF SMILES Flexibase

55561955

Analogs

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Popular Name: 3-(4-chlorophenyl)-5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole 3-(4-chlorophenyl)-5-[[4-(4-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)	4.17	6.47	-9.04	0	6	0	55	384.867	5	↓ MOL2 SDF SMILES Flexibase

55562690

Analogs

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Popular Name: 5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-(m-tolyl)-1,2,4-oxadiazole 5-[[4-(3-chlorophenyl)piperazin-…

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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)	4.52	8.14	-9.65	0	5	0	45	368.868	4	↓ MOL2 SDF SMILES Flexibase

55562724

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Popular Name: 5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-3-(m-tolyl)-1,2,4-oxadiazole 5-[[4-(4-fluorophenyl)piperazin-…

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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)	4.03	7.7	-9.98	0	5	0	45	352.413	4	↓ MOL2 SDF SMILES Flexibase

55567976

Analogs

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Popular Name: 3-(2-chlorophenyl)-5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole 3-(2-chlorophenyl)-5-[[4-(2-fluo…

Find On: PubMed — Wikipedia — Google

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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)	4.18	8.15	-10.45	0	5	0	45	372.831	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 67250
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 = 67250 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=67250&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": "67250"        

    });
</script>

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