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ZINC Item

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19988566

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-bromophenyl)-2-[[5-[(1R)-1-(4-fluorophenoxy)ethyl]-4-isobutyl-1,2,4-triazol-3-yl]sulfanyl]ethan 1-(4-bromophenyl)-2-[[5-[(1R)-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)	5.74	13.67	-12.87	0	5	0	57	492.414	9	↓ MOL2 SDF SMILES Flexibase

19988570

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-bromophenyl)-2-[[5-[(1S)-1-(4-fluorophenoxy)ethyl]-4-isobutyl-1,2,4-triazol-3-yl]sulfanyl]ethan 1-(4-bromophenyl)-2-[[5-[(1S)-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)	5.74	13.94	-13	0	5	0	57	492.414	9	↓ MOL2 SDF SMILES Flexibase

19988590

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,4-dichlorophenyl)-2-[[5-[(1R)-1-(4-fluorophenoxy)ethyl]-4-isobutyl-1,2,4-triazol-3-yl]sulfanyl] 1-(2,4-dichlorophenyl)-2-[[5-[(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)	6.22	14.07	-13.67	0	5	0	57	482.408	9	↓ MOL2 SDF SMILES Flexibase

19988595

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,4-dichlorophenyl)-2-[[5-[(1S)-1-(4-fluorophenoxy)ethyl]-4-isobutyl-1,2,4-triazol-3-yl]sulfanyl] 1-(2,4-dichlorophenyl)-2-[[5-[(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)	6.22	14.35	-13.71	0	5	0	57	482.408	9	↓ MOL2 SDF SMILES Flexibase

19988615

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(1R)-1-(4-fluorophenoxy)ethyl]-4-isobutyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-fluorophenyl)etha 2-[[5-[(1R)-1-(4-fluorophenoxy)e…

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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	13.21	-13.41	0	5	0	57	431.508	9	↓ MOL2 SDF SMILES Flexibase

19988619

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(1S)-1-(4-fluorophenoxy)ethyl]-4-isobutyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-fluorophenyl)etha 2-[[5-[(1S)-1-(4-fluorophenoxy)e…

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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	13.17	-13.21	0	5	0	57	431.508	9	↓ MOL2 SDF SMILES Flexibase

19988679

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(1R)-1-(4-fluorophenoxy)ethyl]-4-isobutyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxy-2,5-dimet 2-[[5-[(1R)-1-(4-fluorophenoxy)e…

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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)	5.74	14.12	-13.63	0	6	0	66	471.598	10	↓ MOL2 SDF SMILES Flexibase

19988683

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(1S)-1-(4-fluorophenoxy)ethyl]-4-isobutyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxy-2,5-dimet 2-[[5-[(1S)-1-(4-fluorophenoxy)e…

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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)	5.74	14.09	-13.69	0	6	0	66	471.598	10	↓ MOL2 SDF SMILES Flexibase

19988804

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(1R)-1-(4-fluorophenoxy)ethyl]-4-isobutyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3-nitrophenyl)ethan 2-[[5-[(1R)-1-(4-fluorophenoxy)e…

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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)	4.87	13.85	-19.23	0	8	0	103	458.515	10	↓ MOL2 SDF SMILES Flexibase

19988809

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(1S)-1-(4-fluorophenoxy)ethyl]-4-isobutyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3-nitrophenyl)ethan 2-[[5-[(1S)-1-(4-fluorophenoxy)e…

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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)	4.87	13.81	-19	0	8	0	103	458.515	10	↓ MOL2 SDF SMILES Flexibase

19988886

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-chlorophenyl)-2-[[5-[(1R)-1-(4-fluorophenoxy)ethyl]-4-isobutyl-1,2,4-triazol-3-yl]sulfanyl]etha 1-(4-chlorophenyl)-2-[[5-[(1R)-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)	5.61	13.66	-13.03	0	5	0	57	447.963	9	↓ MOL2 SDF SMILES Flexibase

19988890

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-chlorophenyl)-2-[[5-[(1S)-1-(4-fluorophenoxy)ethyl]-4-isobutyl-1,2,4-triazol-3-yl]sulfanyl]etha 1-(4-chlorophenyl)-2-[[5-[(1S)-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)	5.61	13.63	-12.86	0	5	0	57	447.963	9	↓ MOL2 SDF SMILES Flexibase

19989288

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,4-dimethoxyphenyl)-2-[[5-[(1R)-1-(4-fluorophenoxy)ethyl]-4-isobutyl-1,2,4-triazol-3-yl]sulfanyl 1-(3,4-dimethoxyphenyl)-2-[[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)	4.58	12.36	-16.74	0	7	0	75	473.57	11	↓ MOL2 SDF SMILES Flexibase

19989292

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,4-dimethoxyphenyl)-2-[[5-[(1S)-1-(4-fluorophenoxy)ethyl]-4-isobutyl-1,2,4-triazol-3-yl]sulfanyl 1-(3,4-dimethoxyphenyl)-2-[[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)	4.58	12.33	-16.49	0	7	0	75	473.57	11	↓ MOL2 SDF SMILES Flexibase

19989961

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(1R)-1-(4-fluorophenoxy)ethyl]-4-isobutyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone 2-[[5-[(1R)-1-(4-fluorophenoxy)e…

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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	13.14	-13.71	0	5	0	57	413.518	9	↓ MOL2 SDF SMILES Flexibase

19989964

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(1S)-1-(4-fluorophenoxy)ethyl]-4-isobutyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone 2-[[5-[(1S)-1-(4-fluorophenoxy)e…

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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	13.11	-13.56	0	5	0	57	413.518	9	↓ MOL2 SDF SMILES Flexibase

19989968

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(1R)-1-(4-fluorophenoxy)ethyl]-4-isobutyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)eth 2-[[5-[(1R)-1-(4-fluorophenoxy)e…

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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)	4.99	12.36	-14.26	0	6	0	66	443.544	10	↓ MOL2 SDF SMILES Flexibase

19989971

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(1S)-1-(4-fluorophenoxy)ethyl]-4-isobutyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)eth 2-[[5-[(1S)-1-(4-fluorophenoxy)e…

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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)	4.99	12.64	-14.41	0	6	0	66	443.544	10	↓ MOL2 SDF SMILES Flexibase

19990221

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-bromophenyl)-2-[[5-[(1R)-1-(4-fluorophenoxy)ethyl]-4-isopropyl-1,2,4-triazol-3-yl]sulfanyl]etha 1-(4-bromophenyl)-2-[[5-[(1R)-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)	5.36	13.06	-13.33	0	5	0	57	478.387	8	↓ MOL2 SDF SMILES Flexibase

19990224

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-bromophenyl)-2-[[5-[(1S)-1-(4-fluorophenoxy)ethyl]-4-isopropyl-1,2,4-triazol-3-yl]sulfanyl]etha 1-(4-bromophenyl)-2-[[5-[(1S)-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)	5.36	13.07	-13.3	0	5	0	57	478.387	8	↓ MOL2 SDF SMILES Flexibase

19990239

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,4-dichlorophenyl)-2-[[5-[(1R)-1-(4-fluorophenoxy)ethyl]-4-isopropyl-1,2,4-triazol-3-yl]sulfanyl 1-(2,4-dichlorophenyl)-2-[[5-[(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)	5.83	13.47	-14.02	0	5	0	57	468.381	8	↓ MOL2 SDF SMILES Flexibase

19990242

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,4-dichlorophenyl)-2-[[5-[(1S)-1-(4-fluorophenoxy)ethyl]-4-isopropyl-1,2,4-triazol-3-yl]sulfanyl 1-(2,4-dichlorophenyl)-2-[[5-[(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)	5.83	13.47	-14.03	0	5	0	57	468.381	8	↓ MOL2 SDF SMILES Flexibase

19990258

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(1R)-1-(4-fluorophenoxy)ethyl]-4-isopropyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-fluorophenyl)eth 2-[[5-[(1R)-1-(4-fluorophenoxy)e…

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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)	4.71	12.51	-13.72	0	5	0	57	417.481	8	↓ MOL2 SDF SMILES Flexibase

19990261

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(1S)-1-(4-fluorophenoxy)ethyl]-4-isopropyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-fluorophenyl)eth 2-[[5-[(1S)-1-(4-fluorophenoxy)e…

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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)	4.71	12.51	-13.73	0	5	0	57	417.481	8	↓ MOL2 SDF SMILES Flexibase

19990309

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(1R)-1-(4-fluorophenoxy)ethyl]-4-isopropyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxy-2,5-dime 2-[[5-[(1R)-1-(4-fluorophenoxy)e…

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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)	5.36	13.22	-13.98	0	6	0	66	457.571	9	↓ MOL2 SDF SMILES Flexibase

19990312

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(1S)-1-(4-fluorophenoxy)ethyl]-4-isopropyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxy-2,5-dime 2-[[5-[(1S)-1-(4-fluorophenoxy)e…

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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)	5.36	13.21	-14	0	6	0	66	457.571	9	↓ MOL2 SDF SMILES Flexibase

19990416

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(1R)-1-(4-fluorophenoxy)ethyl]-4-isopropyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3-nitrophenyl)etha 2-[[5-[(1R)-1-(4-fluorophenoxy)e…

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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	13.14	-19.39	0	8	0	103	444.488	9	↓ MOL2 SDF SMILES Flexibase

19990420

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(1S)-1-(4-fluorophenoxy)ethyl]-4-isopropyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3-nitrophenyl)etha 2-[[5-[(1S)-1-(4-fluorophenoxy)e…

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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	13.15	-19.34	0	8	0	103	444.488	9	↓ MOL2 SDF SMILES Flexibase

19990485

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-chlorophenyl)-2-[[5-[(1R)-1-(4-fluorophenoxy)ethyl]-4-isopropyl-1,2,4-triazol-3-yl]sulfanyl]eth 1-(4-chlorophenyl)-2-[[5-[(1R)-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)	5.23	12.96	-13.31	0	5	0	57	433.936	8	↓ MOL2 SDF SMILES Flexibase

19990488

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-chlorophenyl)-2-[[5-[(1S)-1-(4-fluorophenoxy)ethyl]-4-isopropyl-1,2,4-triazol-3-yl]sulfanyl]eth 1-(4-chlorophenyl)-2-[[5-[(1S)-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)	5.23	12.96	-13.34	0	5	0	57	433.936	8	↓ MOL2 SDF SMILES Flexibase

19990798

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,4-dimethoxyphenyl)-2-[[5-[(1R)-1-(4-fluorophenoxy)ethyl]-4-isopropyl-1,2,4-triazol-3-yl]sulfany 1-(3,4-dimethoxyphenyl)-2-[[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)	4.19	11.66	-16.99	0	7	0	75	459.543	10	↓ MOL2 SDF SMILES Flexibase

19990802

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,4-dimethoxyphenyl)-2-[[5-[(1S)-1-(4-fluorophenoxy)ethyl]-4-isopropyl-1,2,4-triazol-3-yl]sulfany 1-(3,4-dimethoxyphenyl)-2-[[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)	4.19	11.66	-16.96	0	7	0	75	459.543	10	↓ MOL2 SDF SMILES Flexibase

19991476

Analogs

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Popular Name: 2-[[5-[(1R)-1-(4-fluorophenoxy)ethyl]-4-isopropyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone 2-[[5-[(1R)-1-(4-fluorophenoxy)e…

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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)	4.55	12.44	-14.01	0	5	0	57	399.491	8	↓ MOL2 SDF SMILES Flexibase

19991480

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(1S)-1-(4-fluorophenoxy)ethyl]-4-isopropyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone 2-[[5-[(1S)-1-(4-fluorophenoxy)e…

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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)	4.55	12.44	-14	0	5	0	57	399.491	8	↓ MOL2 SDF SMILES Flexibase

19991483

Analogs

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Popular Name: 2-[[5-[(1R)-1-(4-fluorophenoxy)ethyl]-4-isopropyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)et 2-[[5-[(1R)-1-(4-fluorophenoxy)e…

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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)	4.60	11.76	-14.75	0	6	0	66	429.517	9	↓ MOL2 SDF SMILES Flexibase

19991486

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(1S)-1-(4-fluorophenoxy)ethyl]-4-isopropyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)et 2-[[5-[(1S)-1-(4-fluorophenoxy)e…

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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)	4.60	11.76	-14.69	0	6	0	66	429.517	9	↓ MOL2 SDF SMILES Flexibase

19991728

Analogs

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Popular Name: 1-(4-bromophenyl)-2-[[5-[(1S)-1-(2-methoxyphenoxy)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethano 1-(4-bromophenyl)-2-[[5-[(1S)-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)	4.07	11.8	-16.94	0	6	0	66	462.369	8	↓ MOL2 SDF SMILES Flexibase

19991731

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-bromophenyl)-2-[[5-[(1R)-1-(2-methoxyphenoxy)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethano 1-(4-bromophenyl)-2-[[5-[(1R)-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)	4.07	11.8	-16.94	0	6	0	66	462.369	8	↓ MOL2 SDF SMILES Flexibase

19991746

Analogs

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Popular Name: 1-(2,4-dichlorophenyl)-2-[[5-[(1S)-1-(2-methoxyphenoxy)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]e 1-(2,4-dichlorophenyl)-2-[[5-[(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)	4.54	12.2	-17.52	0	6	0	66	452.363	8	↓ MOL2 SDF SMILES Flexibase

19991749

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,4-dichlorophenyl)-2-[[5-[(1R)-1-(2-methoxyphenoxy)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]e 1-(2,4-dichlorophenyl)-2-[[5-[(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)	4.54	12.2	-17.5	0	6	0	66	452.363	8	↓ MOL2 SDF SMILES Flexibase

19991764

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-fluorophenyl)-2-[[5-[(1S)-1-(2-methoxyphenoxy)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethan 1-(4-fluorophenyl)-2-[[5-[(1S)-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)	3.42	11.24	-17.34	0	6	0	66	401.463	8	↓ MOL2 SDF SMILES Flexibase

19991767

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-fluorophenyl)-2-[[5-[(1R)-1-(2-methoxyphenoxy)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethan 1-(4-fluorophenyl)-2-[[5-[(1R)-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)	3.42	11.24	-17.34	0	6	0	66	401.463	8	↓ MOL2 SDF SMILES Flexibase

19991815

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-methoxy-2,5-dimethyl-phenyl)-2-[[5-[(1S)-1-(2-methoxyphenoxy)ethyl]-4-methyl-1,2,4-triazol-3-yl 1-(4-methoxy-2,5-dimethyl-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)	4.07	11.87	-18.02	0	7	0	75	441.553	9	↓ MOL2 SDF SMILES Flexibase

19991819

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-methoxy-2,5-dimethyl-phenyl)-2-[[5-[(1R)-1-(2-methoxyphenoxy)ethyl]-4-methyl-1,2,4-triazol-3-yl 1-(4-methoxy-2,5-dimethyl-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)	4.07	11.92	-18.07	0	7	0	75	441.553	9	↓ MOL2 SDF SMILES Flexibase

19991938

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(1S)-1-(2-methoxyphenoxy)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3-nitrophenyl)ethano 2-[[5-[(1S)-1-(2-methoxyphenoxy)…

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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)	3.19	11.84	-22.94	0	9	0	112	428.47	9	↓ MOL2 SDF SMILES Flexibase

19991942

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(1R)-1-(2-methoxyphenoxy)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3-nitrophenyl)ethano 2-[[5-[(1R)-1-(2-methoxyphenoxy)…

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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)	3.19	11.84	-22.93	0	9	0	112	428.47	9	↓ MOL2 SDF SMILES Flexibase

19992002

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-chlorophenyl)-2-[[5-[(1S)-1-(2-methoxyphenoxy)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethan 1-(4-chlorophenyl)-2-[[5-[(1S)-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)	3.94	11.69	-17	0	6	0	66	417.918	8	↓ MOL2 SDF SMILES Flexibase

19992005

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-chlorophenyl)-2-[[5-[(1R)-1-(2-methoxyphenoxy)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethan 1-(4-chlorophenyl)-2-[[5-[(1R)-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)	3.94	11.69	-16.99	0	6	0	66	417.918	8	↓ MOL2 SDF SMILES Flexibase

19992297

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,4-dimethoxyphenyl)-2-[[5-[(1S)-1-(2-methoxyphenoxy)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl] 1-(3,4-dimethoxyphenyl)-2-[[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)	2.91	10.43	-20.55	0	8	0	85	443.525	10	↓ MOL2 SDF SMILES Flexibase

19992300

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,4-dimethoxyphenyl)-2-[[5-[(1R)-1-(2-methoxyphenoxy)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl] 1-(3,4-dimethoxyphenyl)-2-[[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)	2.91	10.43	-20.55	0	8	0	85	443.525	10	↓ MOL2 SDF SMILES Flexibase

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