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ZINC Item

Suppliers, Protomers, & Similar Substances

39763810

Analogs

2879770
1100781

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-chloro-3-nitro-phenyl)-2-[[5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl 1-(4-chloro-3-nitro-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)	5.92	16.47	-17.98	0	8	0	103	508.987	9	↓ MOL2 SDF SMILES Flexibase

39763899

Analogs

26505897
28402059
1125116

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(2,4-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-nitrophenyl)ethanone 2-[[5-[(2,4-dimethylphenoxy)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)	5.34	16.38	-15	0	8	0	103	474.542	9	↓ MOL2 SDF SMILES Flexibase

19988285

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(1R)-1-(4-fluorophenoxy)ethyl]-4-phenyl-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)	5.08	14.71	-13.66	0	5	0	57	433.508	8	↓ MOL2 SDF SMILES Flexibase

19988289

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(1S)-1-(4-fluorophenoxy)ethyl]-4-phenyl-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)	5.08	14.71	-13.75	0	5	0	57	433.508	8	↓ MOL2 SDF SMILES Flexibase

19988293

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(1R)-1-(4-fluorophenoxy)ethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)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)	5.14	14.05	-14.44	0	6	0	66	463.534	9	↓ MOL2 SDF SMILES Flexibase

19988298

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(1S)-1-(4-fluorophenoxy)ethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)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)	5.14	14.05	-14.48	0	6	0	66	463.534	9	↓ MOL2 SDF SMILES Flexibase

19995785

Analogs

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Popular Name: 1-(2,4-dichlorophenyl)-2-[[5-[(1S)-1-(2-methoxyphenoxy)ethyl]-4-phenyl-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)	5.82	15.56	-16.74	0	6	0	66	514.434	9	↓ MOL2 SDF SMILES Flexibase

19995788

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,4-dichlorophenyl)-2-[[5-[(1R)-1-(2-methoxyphenoxy)ethyl]-4-phenyl-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)	5.82	15.59	-17.4	0	6	0	66	514.434	9	↓ MOL2 SDF SMILES Flexibase

19995805

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-fluorophenyl)-2-[[5-[(1S)-1-(2-methoxyphenoxy)ethyl]-4-phenyl-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)	4.70	14.6	-16.51	0	6	0	66	463.534	9	↓ MOL2 SDF SMILES Flexibase

19995808

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-fluorophenyl)-2-[[5-[(1R)-1-(2-methoxyphenoxy)ethyl]-4-phenyl-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)	4.70	14.63	-17.15	0	6	0	66	463.534	9	↓ MOL2 SDF SMILES Flexibase

19995865

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-methoxy-2,5-dimethyl-phenyl)-2-[[5-[(1R)-1-(2-methoxyphenoxy)ethyl]-4-phenyl-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)	5.34	15.33	-17.77	0	7	0	75	503.624	10	↓ MOL2 SDF SMILES Flexibase

19995870

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-methoxy-2,5-dimethyl-phenyl)-2-[[5-[(1S)-1-(2-methoxyphenoxy)ethyl]-4-phenyl-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)	5.34	15.26	-17.16	0	7	0	75	503.624	10	↓ MOL2 SDF SMILES Flexibase

19995947

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(1S)-1-(2-methoxyphenoxy)ethyl]-4-phenyl-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)	4.47	15.2	-22.06	0	9	0	112	490.541	10	↓ MOL2 SDF SMILES Flexibase

19995951

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(1R)-1-(2-methoxyphenoxy)ethyl]-4-phenyl-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)	4.47	15.23	-22.68	0	9	0	112	490.541	10	↓ MOL2 SDF SMILES Flexibase

19996005

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-chlorophenyl)-2-[[5-[(1S)-1-(2-methoxyphenoxy)ethyl]-4-phenyl-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)	5.21	15.05	-16.17	0	6	0	66	479.989	9	↓ MOL2 SDF SMILES Flexibase

19996008

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-chlorophenyl)-2-[[5-[(1R)-1-(2-methoxyphenoxy)ethyl]-4-phenyl-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)	5.21	15.08	-16.74	0	6	0	66	479.989	9	↓ MOL2 SDF SMILES Flexibase

19996248

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,4-dimethoxyphenyl)-2-[[5-[(1S)-1-(2-methoxyphenoxy)ethyl]-4-phenyl-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)	4.18	13.79	-19.83	0	8	0	85	505.596	11	↓ MOL2 SDF SMILES Flexibase

19996251

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,4-dimethoxyphenyl)-2-[[5-[(1R)-1-(2-methoxyphenoxy)ethyl]-4-phenyl-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)	4.18	13.79	-19.81	0	8	0	85	505.596	11	↓ MOL2 SDF SMILES Flexibase

19996728

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(1S)-1-(2-methoxyphenoxy)ethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone 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)	4.53	14.53	-17.1	0	6	0	66	445.544	9	↓ MOL2 SDF SMILES Flexibase

19996732

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(1R)-1-(2-methoxyphenoxy)ethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone 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)	4.53	14.56	-17.67	0	6	0	66	445.544	9	↓ MOL2 SDF SMILES Flexibase

19996736

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(1R)-1-(2-methoxyphenoxy)ethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)etha 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)	4.59	13.9	-18.35	0	7	0	75	475.57	10	↓ MOL2 SDF SMILES Flexibase

19996740

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(1S)-1-(2-methoxyphenoxy)ethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)etha 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)	4.59	13.87	-17.73	0	7	0	75	475.57	10	↓ MOL2 SDF SMILES Flexibase

20003287

Analogs

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Popular Name: 1-(2,4-dichlorophenyl)-2-[[5-[(1S)-1-(3-methoxyphenoxy)ethyl]-4-phenyl-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)	6.24	14.99	-14.34	0	6	0	66	514.434	9	↓ MOL2 SDF SMILES Flexibase

20003290

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,4-dichlorophenyl)-2-[[5-[(1R)-1-(3-methoxyphenoxy)ethyl]-4-phenyl-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)	6.24	15	-16.37	0	6	0	66	514.434	9	↓ MOL2 SDF SMILES Flexibase

20003305

Analogs

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Popular Name: 1-(4-fluorophenyl)-2-[[5-[(1S)-1-(3-methoxyphenoxy)ethyl]-4-phenyl-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)	5.12	14.04	-14.06	0	6	0	66	463.534	9	↓ MOL2 SDF SMILES Flexibase

20003308

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-fluorophenyl)-2-[[5-[(1R)-1-(3-methoxyphenoxy)ethyl]-4-phenyl-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)	5.12	14.04	-16.07	0	6	0	66	463.534	9	↓ MOL2 SDF SMILES Flexibase

20003358

Analogs

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Popular Name: 1-(4-methoxy-2,5-dimethyl-phenyl)-2-[[5-[(1S)-1-(3-methoxyphenoxy)ethyl]-4-phenyl-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)	5.76	14.71	-14.64	0	7	0	75	503.624	10	↓ MOL2 SDF SMILES Flexibase

20003361

Analogs

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Popular Name: 1-(4-methoxy-2,5-dimethyl-phenyl)-2-[[5-[(1R)-1-(3-methoxyphenoxy)ethyl]-4-phenyl-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)	5.76	14.72	-16.67	0	7	0	75	503.624	10	↓ MOL2 SDF SMILES Flexibase

20003431

Analogs

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Popular Name: 2-[[5-[(1S)-1-(3-methoxyphenoxy)ethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3-nitrophenyl)ethano 2-[[5-[(1S)-1-(3-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)	4.89	14.64	-19.91	0	9	0	112	490.541	10	↓ MOL2 SDF SMILES Flexibase

20003434

Analogs

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Popular Name: 2-[[5-[(1R)-1-(3-methoxyphenoxy)ethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3-nitrophenyl)ethano 2-[[5-[(1R)-1-(3-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)	4.89	14.64	-21.7	0	9	0	112	490.541	10	↓ MOL2 SDF SMILES Flexibase

20003488

Analogs

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Popular Name: 1-(4-chlorophenyl)-2-[[5-[(1S)-1-(3-methoxyphenoxy)ethyl]-4-phenyl-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)	5.63	14.49	-13.66	0	6	0	66	479.989	9	↓ MOL2 SDF SMILES Flexibase

20003491

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-chlorophenyl)-2-[[5-[(1R)-1-(3-methoxyphenoxy)ethyl]-4-phenyl-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)	5.63	14.49	-15.77	0	6	0	66	479.989	9	↓ MOL2 SDF SMILES Flexibase

20003709

Analogs

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Popular Name: 1-(3,4-dimethoxyphenyl)-2-[[5-[(1S)-1-(3-methoxyphenoxy)ethyl]-4-phenyl-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)	4.60	13.23	-17.33	0	8	0	85	505.596	11	↓ MOL2 SDF SMILES Flexibase

20003712

Analogs

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Popular Name: 1-(3,4-dimethoxyphenyl)-2-[[5-[(1R)-1-(3-methoxyphenoxy)ethyl]-4-phenyl-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)	4.60	13.2	-18.72	0	8	0	85	505.596	11	↓ MOL2 SDF SMILES Flexibase

20004117

Analogs

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Popular Name: 2-[[5-[(1S)-1-(3-methoxyphenoxy)ethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone 2-[[5-[(1S)-1-(3-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)	4.95	13.97	-16.55	0	6	0	66	445.544	9	↓ MOL2 SDF SMILES Flexibase

20004121

Analogs

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Popular Name: 2-[[5-[(1R)-1-(3-methoxyphenoxy)ethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone 2-[[5-[(1R)-1-(3-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)	4.95	13.97	-16.58	0	6	0	66	445.544	9	↓ MOL2 SDF SMILES Flexibase

20004124

Analogs

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Popular Name: 2-[[5-[(1R)-1-(3-methoxyphenoxy)ethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)etha 2-[[5-[(1R)-1-(3-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)	5.01	13.31	-17.3	0	7	0	75	475.57	10	↓ MOL2 SDF SMILES Flexibase

20004127

Analogs

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Popular Name: 2-[[5-[(1S)-1-(3-methoxyphenoxy)ethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)etha 2-[[5-[(1S)-1-(3-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)	5.01	13.3	-17.3	0	7	0	75	475.57	10	↓ MOL2 SDF SMILES Flexibase

23012593

Analogs

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Popular Name: 2-[[5-[(2-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(2,5-dimethoxyphenyl)ethanon 2-[[5-[(2-chlorophenoxy)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)	5.23	14.63	-18.32	0	7	0	75	495.988	10	↓ MOL2 SDF SMILES Flexibase

23012910

Analogs

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Popular Name: 1-(2,5-dimethoxyphenyl)-2-[[5-[(2-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanon 1-(2,5-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)	5.00	14.8	-16.51	0	7	0	75	475.57	10	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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