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ZINC Item

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6728841

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-allyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-hydroxyphenyl)-acetamide 2-[[4-allyl-5-(2-furyl)-1,2,4-tr…

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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)	2.82	-0.51	-13.4	2	7	0	93	356.407	7	↓ MOL2 SDF SMILES Flexibase

7449896

Analogs

4537929
4538009
4538015

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-amino-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,6-difluorophenyl)-propanamide 2-[[4-amino-5-(2-furyl)-1,2,4-tr…

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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)	2.42	6.87	-15.2	3	7	0	99	365.365	5	↓ MOL2 SDF SMILES Flexibase

7449909

Analogs

7449922

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-amino-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4-difluorophenyl)-propanamide 2-[[4-amino-5-(2-furyl)-1,2,4-tr…

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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)	2.44	-0.97	-16.02	3	7	0	98	365.365	5	↓ MOL2 SDF SMILES Flexibase

7449922

Analogs

7449909

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-amino-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4-difluorophenyl)-propanamide 2-[[4-amino-5-(2-furyl)-1,2,4-tr…

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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)	2.44	-1.08	-15.89	3	7	0	98	365.365	5	↓ MOL2 SDF SMILES Flexibase

7449970

Analogs

7449983

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-amino-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4-dimethoxyphenyl)-propanamide 2-[[4-amino-5-(2-furyl)-1,2,4-tr…

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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)	1.83	5.83	-15.9	3	9	0	117	389.437	7	↓ MOL2 SDF SMILES Flexibase

7449983

Analogs

7449970

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-amino-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4-dimethoxyphenyl)-propanamide 2-[[4-amino-5-(2-furyl)-1,2,4-tr…

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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)	1.83	5.84	-15.81	3	9	0	117	389.437	7	↓ MOL2 SDF SMILES Flexibase

7449995

Analogs

7450006

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-amino-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethoxyphenyl)-propanamide 2-[[4-amino-5-(2-furyl)-1,2,4-tr…

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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)	2.57	-2.29	-12.37	3	8	0	108	373.438	7	↓ MOL2 SDF SMILES Flexibase

7450006

Analogs

7449995

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-amino-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethoxyphenyl)-propanamide 2-[[4-amino-5-(2-furyl)-1,2,4-tr…

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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)	2.57	-2.52	-12.09	3	8	0	108	373.438	7	↓ MOL2 SDF SMILES Flexibase

7450034

Analogs

7450043

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-amino-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-fluoro-4-methyl-phenyl)-propanamide 2-[[4-amino-5-(2-furyl)-1,2,4-tr…

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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)	2.73	7.34	-15.53	3	7	0	99	361.402	5	↓ MOL2 SDF SMILES Flexibase

7450043

Analogs

7450034

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-amino-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-fluoro-4-methyl-phenyl)-propanamide 2-[[4-amino-5-(2-furyl)-1,2,4-tr…

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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)	2.73	7.32	-12.49	3	7	0	99	361.402	5	↓ MOL2 SDF SMILES Flexibase

7450114

Analogs

7450127

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-amino-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chloro-4-methoxy-phenyl)-propanamide 2-[[4-amino-5-(2-furyl)-1,2,4-tr…

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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)	2.85	-2.75	-15.86	3	8	0	108	393.856	6	↓ MOL2 SDF SMILES Flexibase

7450127

Analogs

7450114

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-amino-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chloro-4-methoxy-phenyl)-propanamide 2-[[4-amino-5-(2-furyl)-1,2,4-tr…

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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)	2.85	-2.64	-13.38	3	8	0	108	393.856	6	↓ MOL2 SDF SMILES Flexibase

7450190

Analogs

7450203

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-amino-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-chloro-2-methyl-phenyl)-propanamide 2-[[4-amino-5-(2-furyl)-1,2,4-tr…

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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	8.05	-14.04	3	7	0	99	377.857	5	↓ MOL2 SDF SMILES Flexibase

7450203

Analogs

7450190

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-amino-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-chloro-2-methyl-phenyl)-propanamide 2-[[4-amino-5-(2-furyl)-1,2,4-tr…

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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	8.03	-13.87	3	7	0	99	377.857	5	↓ MOL2 SDF SMILES Flexibase

7450214

Analogs

7450223
11670220
11670225
4538288
4538298

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-amino-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,6-dimethylphenyl)-propanamide 2-[[4-amino-5-(2-furyl)-1,2,4-tr…

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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)	2.05	-1.61	-12.43	3	7	0	98	357.439	5	↓ MOL2 SDF SMILES Flexibase

7450223

Analogs

11670220
11670225
4538288
4538298
7449511

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-amino-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,6-dimethylphenyl)-propanamide 2-[[4-amino-5-(2-furyl)-1,2,4-tr…

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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)	2.05	-1.64	-12.3	3	7	0	98	357.439	5	↓ MOL2 SDF SMILES Flexibase

7450232

Analogs

7450242

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-amino-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(difluoromethoxy)phenyl]-propanamide 2-[[4-amino-5-(2-furyl)-1,2,4-tr…

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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	6.32	-14.37	3	8	0	108	395.391	7	↓ MOL2 SDF SMILES Flexibase

7450242

Analogs

7450232

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-amino-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(difluoromethoxy)phenyl]-propanamide 2-[[4-amino-5-(2-furyl)-1,2,4-tr…

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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	6.32	-14.28	3	8	0	108	395.391	7	↓ MOL2 SDF SMILES Flexibase

7450280

Analogs

7450288

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-acetylphenyl)-2-[[4-amino-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide N-(2-acetylphenyl)-2-[[4-amino-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)	2.04	7.45	-14.98	3	8	0	116	371.422	6	↓ MOL2 SDF SMILES Flexibase

7450288

Analogs

7450280

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-acetylphenyl)-2-[[4-amino-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide N-(2-acetylphenyl)-2-[[4-amino-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)	2.04	7.51	-15.29	3	8	0	116	371.422	6	↓ MOL2 SDF SMILES Flexibase

9707790

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-amino-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)-acetamide 2-[[4-amino-5-(2-furyl)-1,2,4-tr…

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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)	1.78	-2.3	-17.14	3	10	0	144	360.355	6	↓ MOL2 SDF SMILES Flexibase

22719978

Analogs

39754989
6784336

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(2-furyl)-4-isobutyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-nitrophenyl)acetamide 2-[[5-(2-furyl)-4-isobutyl-1,2,4…

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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)	3.47	10.65	-14.64	1	9	0	119	401.448	8	↓ MOL2 SDF SMILES Flexibase

22719981

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(difluoromethoxy)phenyl]-2-[[5-(2-furyl)-4-isobutyl-1,2,4-triazol-3-yl]sulfanyl]acetamide N-[2-(difluoromethoxy)phenyl]-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	9.32	-15.39	1	7	0	82	422.457	9	↓ MOL2 SDF SMILES Flexibase

13254430

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[2-[[4-ethyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]terephthalic 2-[[2-[[4-ethyl-5-(2-furyl)-1,2,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.75	8.3	-108.09	1	10	-2	153	414.399	8	↓ MOL2 SDF SMILES Flexibase

22765253

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[3-(2-furyl)-5-[2-[[4-methyl-3-(methylsulfamoyl)phenyl]amino]-2-oxo-ethyl]sulfanyl-1,2,4-triazol-4 3-[3-(2-furyl)-5-[2-[[4-methyl-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)	0.89	2.53	-25.56	4	11	0	162	478.556	10	↓ MOL2 SDF SMILES Flexibase

22765261

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[4-(3-amino-3-oxo-propyl)-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-chloro-2-(trifluorom (2R)-2-[[4-(3-amino-3-oxo-propyl…

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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)	3.31	7.87	-15.66	3	8	0	116	487.891	9	↓ MOL2 SDF SMILES Flexibase

22765263

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[4-(3-amino-3-oxo-propyl)-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-chloro-2-(trifluorom (2S)-2-[[4-(3-amino-3-oxo-propyl…

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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)	3.31	7.86	-15.5	3	8	0	116	487.891	9	↓ MOL2 SDF SMILES Flexibase

22765278

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[3-[2-[(4-bromo-2-chloro-phenyl)amino]-2-oxo-ethyl]sulfanyl-5-(2-furyl)-1,2,4-triazol-4-yl]propana 3-[3-[2-[(4-bromo-2-chloro-pheny…

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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)	2.86	6.64	-16.65	3	8	0	116	484.763	8	↓ MOL2 SDF SMILES Flexibase

22765280

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[3-(2-furyl)-5-[2-[(3-isopropylphenyl)amino]-2-oxo-ethyl]sulfanyl-1,2,4-triazol-4-yl]propanamide 3-[3-(2-furyl)-5-[2-[(3-isopropy…

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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)	2.93	7.32	-19.95	3	8	0	116	413.503	9	↓ MOL2 SDF SMILES Flexibase

22765283

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[3-(2-furyl)-5-[2-[methyl-(4-nitrophenyl)amino]-2-oxo-ethyl]sulfanyl-1,2,4-triazol-4-yl]propanamid 3-[3-(2-furyl)-5-[2-[methyl-(4-n…

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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)	1.65	7.88	-21.21	2	11	0	153	430.446	9	↓ MOL2 SDF SMILES Flexibase

22765285

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[3-[2-[2-cyanoethyl-(3,4-dimethylphenyl)amino]-2-oxo-ethyl]sulfanyl-5-(2-furyl)-1,2,4-triazol-4-yl 3-[3-[2-[2-cyanoethyl-(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)	1.97	9.86	-22.27	2	9	0	131	452.54	10	↓ MOL2 SDF SMILES Flexibase

57980951

Analogs

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Popular Name: 2-[[2-[[4-ethyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-methyl-benzamide 2-[[2-[[4-ethyl-5-(2-furyl)-1,2,…

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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)	1.96	7.36	-16.95	2	8	0	102	385.449	7	↓ MOL2 SDF SMILES Flexibase

3592496

Analogs

4535139

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Popular Name: N-(2,6-dimethylphenyl)-2-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetamide N-(2,6-dimethylphenyl)-2-[[5-(2-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.30	1.56	-13.18	1	6	0	72	342.424	5	↓ MOL2 SDF SMILES Flexibase

3592497

Analogs

4535154

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,4-difluorophenyl)-2-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetamide N-(3,4-difluorophenyl)-2-[[5-(2-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.69	2.19	-16.76	1	6	0	72	350.35	5	↓ MOL2 SDF SMILES Flexibase

3592502

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,5-dimethylphenyl)-2-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetamide N-(2,5-dimethylphenyl)-2-[[5-(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)	3.26	1.58	-13.58	1	6	0	72	342.424	5	↓ MOL2 SDF SMILES Flexibase

3592504

Analogs

8208334

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[2-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetyl]amino]benzamide 4-[[2-[[5-(2-furyl)-4-methyl-1,2…

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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)	1.26	-2	-18.37	3	8	0	116	357.395	6	↓ MOL2 SDF SMILES Flexibase

3592522

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-acetylphenyl)-2-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetamide N-(2-acetylphenyl)-2-[[5-(2-fury…

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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)	2.29	1.52	-15.62	1	7	0	90	356.407	6	↓ MOL2 SDF SMILES Flexibase

16864141

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2,5-dimethylphenyl)-2-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanamide (2R)-N-(2,5-dimethylphenyl)-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)	3.63	9.93	-13.08	1	6	0	73	356.451	5	↓ MOL2 SDF SMILES Flexibase

16864142

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(2,5-dimethylphenyl)-2-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanamide (2S)-N-(2,5-dimethylphenyl)-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)	3.63	9.94	-13.3	1	6	0	73	356.451	5	↓ MOL2 SDF SMILES Flexibase

16864151

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(3,4-difluorophenyl)-2-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanamide (2R)-N-(3,4-difluorophenyl)-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)	3.06	8.56	-15.85	1	6	0	73	364.377	5	↓ MOL2 SDF SMILES Flexibase

16864152

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(3,4-difluorophenyl)-2-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanamide (2S)-N-(3,4-difluorophenyl)-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)	3.06	8.55	-16.07	1	6	0	73	364.377	5	↓ MOL2 SDF SMILES Flexibase

16864153

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(3,4-dimethoxyphenyl)-2-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanamide (2R)-N-(3,4-dimethoxyphenyl)-2-[…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.45	7.62	-15.96	1	8	0	91	388.449	7	↓ MOL2 SDF SMILES Flexibase

16864154

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(3,4-dimethoxyphenyl)-2-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanamide (2S)-N-(3,4-dimethoxyphenyl)-2-[…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.45	7.64	-16.1	1	8	0	91	388.449	7	↓ MOL2 SDF SMILES Flexibase

16864157

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]pro (2R)-N-[4-chloro-2-(trifluoromet…

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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	10.2	-10.13	1	6	0	73	430.839	6	↓ MOL2 SDF SMILES Flexibase

16864158

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]pro (2S)-N-[4-chloro-2-(trifluoromet…

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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	10.24	-10.38	1	6	0	73	430.839	6	↓ MOL2 SDF SMILES Flexibase

16864161

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2-bromo-4-methyl-phenyl)-2-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanamide (2R)-N-(2-bromo-4-methyl-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)	3.99	9.88	-11.21	1	6	0	73	421.32	5	↓ MOL2 SDF SMILES Flexibase

16864162

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(2-bromo-4-methyl-phenyl)-2-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanamide (2S)-N-(2-bromo-4-methyl-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)	3.99	9.88	-11.23	1	6	0	73	421.32	5	↓ MOL2 SDF SMILES Flexibase

16864163

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(5-chloro-2-methyl-phenyl)-2-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanamide (2R)-N-(5-chloro-2-methyl-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)	3.86	9.83	-14.08	1	6	0	73	376.869	5	↓ MOL2 SDF SMILES Flexibase

16864164

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(5-chloro-2-methyl-phenyl)-2-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanamide (2S)-N-(5-chloro-2-methyl-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)	3.86	9.84	-13.99	1	6	0	73	376.869	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
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Structural Results Found: (before additional filtering)

SQL Query Was

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