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ZINC Item

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53429345

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-fluorophenyl)-4-methyl-5-[2-(2-nitrophenoxy)ethylsulfanyl]-1,2,4-triazole 3-(2-fluorophenyl)-4-methyl-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)	4.20	12.29	-25.7	0	7	0	86	374.397	7	↓ MOL2 SDF SMILES Flexibase

53470668

Analogs

39745405
39752760
39763271

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-3-[2-(2-methoxyphenoxy)ethylsulfanyl]-5-(2-methoxyphenyl)-1,2,4-triazole 4-ethyl-3-[2-(2-methoxyphenoxy)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)	4.17	10.85	-18.48	0	6	0	58	385.489	9	↓ MOL2 SDF SMILES Flexibase

53471063

Analogs

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Popular Name: 3-[2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethoxy]benzonitrile 3-[2-[[5-(4-methoxyphenyl)-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)	3.96	10.4	-17.26	0	6	0	73	366.446	7	↓ MOL2 SDF SMILES Flexibase

36213160

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-[[4-amino-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethoxy]benzonitrile 4-[2-[[4-amino-5-(2-fluorophenyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.43	9.71	-18.03	2	6	0	90	355.398	6	↓ MOL2 SDF SMILES Flexibase

36213235

Analogs

39741344
39761171
39763047
39763501
39767086

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-[[5-(m-tolyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]ethoxy]benzonitrile 4-[2-[[5-(m-tolyl)-4-propyl-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)	5.23	13.33	-14.64	0	5	0	64	378.501	8	↓ MOL2 SDF SMILES Flexibase

36213292

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-(3-chlorophenoxy)ethylsulfanyl]-4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazole 3-[2-(3-chlorophenoxy)ethylsulfa…

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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)	5.26	11.33	-13.88	0	5	0	49	389.908	8	↓ MOL2 SDF SMILES Flexibase

12537235

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-[[5-(4-diethylaminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethoxy]benzonitrile 4-[2-[[5-(4-diethylaminophenyl)-…

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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	13.43	-15.35	0	6	0	67	407.543	9	↓ MOL2 SDF SMILES Flexibase

13270487

Analogs

13178035
13178272
13178337

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[3-[2-(4-ethoxyphenoxy)ethylsulfanyl]-5-(4-methoxyphenyl)-1,2,4-triazol-4-yl]propanoic 3-[3-[2-(4-ethoxyphenoxy)ethylsu…

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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	10.76	-47.52	0	8	-1	99	442.517	12	↓ MOL2 SDF SMILES Flexibase

13270535

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-[2-(4-ethoxyphenoxy)ethylsulfanyl]-5-(4-methoxyphenyl)-1,2,4-triazol-4-yl]acetic 2-[3-[2-(4-ethoxyphenoxy)ethylsu…

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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)	3.91	10.33	-50.44	0	8	-1	99	428.49	11	↓ MOL2 SDF SMILES Flexibase

13270558

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-[2-(4-ethoxyphenoxy)ethylsulfanyl]-5-(m-tolyl)-1,2,4-triazol-4-yl]acetic 2-[3-[2-(4-ethoxyphenoxy)ethylsu…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.28	11.69	-50.52	0	7	-1	89	412.491	10	↓ MOL2 SDF SMILES Flexibase

13270645

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-[2-(4-ethoxyphenoxy)ethylsulfanyl]-5-(4-ethoxyphenyl)-1,2,4-triazol-4-yl]acetic 2-[3-[2-(4-ethoxyphenoxy)ethylsu…

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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)	4.29	11.26	-50.2	0	8	-1	99	442.517	12	↓ MOL2 SDF SMILES Flexibase

13270663

Analogs

13178035
13178272
13178337

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[3-[2-(4-ethoxyphenoxy)ethylsulfanyl]-5-(4-ethoxyphenyl)-1,2,4-triazol-4-yl]propanoic 3-[3-[2-(4-ethoxyphenoxy)ethylsu…

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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)	4.56	11.69	-47.32	0	8	-1	99	456.544	13	↓ MOL2 SDF SMILES Flexibase

13270684

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[3-[2-(4-ethoxyphenoxy)ethylsulfanyl]-5-(p-tolyl)-1,2,4-triazol-4-yl]propanoic 3-[3-[2-(4-ethoxyphenoxy)ethylsu…

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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)	4.57	12.13	-46.84	0	7	-1	89	426.518	11	↓ MOL2 SDF SMILES Flexibase

13270704

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[3-[2-(4-ethoxyphenoxy)ethylsulfanyl]-5-(m-tolyl)-1,2,4-triazol-4-yl]propanoic 3-[3-[2-(4-ethoxyphenoxy)ethylsu…

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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	12.13	-46.74	0	7	-1	89	426.518	11	↓ MOL2 SDF SMILES Flexibase

13280610

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-(4-chlorophenyl)-5-[2-(2-fluorophenoxy)ethylsulfanyl]-1,2,4-triazol-4-yl]acetic 2-[3-(4-chlorophenyl)-5-[2-(2-fl…

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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	11.41	-48.73	0	6	-1	80	406.846	8	↓ MOL2 SDF SMILES Flexibase

13280611

Analogs

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Popular Name: 2-[3-[2-(4-bromophenoxy)ethylsulfanyl]-5-(4-chlorophenyl)-1,2,4-triazol-4-yl]acetic 2-[3-[2-(4-bromophenoxy)ethylsul…

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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)	4.91	11.96	-45.08	0	6	-1	80	467.752	8	↓ MOL2 SDF SMILES Flexibase

13280614

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-[2-(2-chlorophenoxy)ethylsulfanyl]-5-(4-chlorophenyl)-1,2,4-triazol-4-yl]acetic 2-[3-[2-(2-chlorophenoxy)ethylsu…

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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)	4.73	11.9	-47.41	0	6	-1	80	423.301	8	↓ MOL2 SDF SMILES Flexibase

13280615

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-[2-(4-chlorophenoxy)ethylsulfanyl]-5-(4-chlorophenyl)-1,2,4-triazol-4-yl]acetic 2-[3-[2-(4-chlorophenoxy)ethylsu…

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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	11.86	-45.07	0	6	-1	80	423.301	8	↓ MOL2 SDF SMILES Flexibase

13280616

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-(4-chlorophenyl)-5-[2-(4-methylphenoxy)ethylsulfanyl]-1,2,4-triazol-4-yl]acetic 2-[3-(4-chlorophenyl)-5-[2-(4-me…

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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	12.01	-46.38	0	6	-1	80	402.883	8	↓ MOL2 SDF SMILES Flexibase

13280617

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-(4-chlorophenyl)-5-[2-(3-methylphenoxy)ethylsulfanyl]-1,2,4-triazol-4-yl]acetic 2-[3-(4-chlorophenyl)-5-[2-(3-me…

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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	12.01	-46.53	0	6	-1	80	402.883	8	↓ MOL2 SDF SMILES Flexibase

13280618

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-(4-chlorophenyl)-5-[2-(2-methylphenoxy)ethylsulfanyl]-1,2,4-triazol-4-yl]acetic 2-[3-(4-chlorophenyl)-5-[2-(2-me…

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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)	4.50	12.09	-46.48	0	6	-1	80	402.883	8	↓ MOL2 SDF SMILES Flexibase

13280619

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-(4-chlorophenyl)-5-[2-(4-fluorophenoxy)ethylsulfanyl]-1,2,4-triazol-4-yl]acetic 2-[3-(4-chlorophenyl)-5-[2-(4-fl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.26	11.41	-45.46	0	6	-1	80	406.846	8	↓ MOL2 SDF SMILES Flexibase

13280620

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-[2-(3-bromophenoxy)ethylsulfanyl]-5-(4-chlorophenyl)-1,2,4-triazol-4-yl]acetic 2-[3-[2-(3-bromophenoxy)ethylsul…

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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)	4.88	11.96	-45.79	0	6	-1	80	467.752	8	↓ MOL2 SDF SMILES Flexibase

13280621

Analogs

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Popular Name: 2-[3-(4-chlorophenyl)-5-[2-(2,4-dichlorophenoxy)ethylsulfanyl]-1,2,4-triazol-4-yl]acetic 2-[3-(4-chlorophenyl)-5-[2-(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)	5.38	12.41	-45.68	0	6	-1	80	457.746	8	↓ MOL2 SDF SMILES Flexibase

13280622

Analogs

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Popular Name: 2-[3-(4-chlorophenyl)-5-[2-(4-methoxyphenoxy)ethylsulfanyl]-1,2,4-triazol-4-yl]acetic 2-[3-(4-chlorophenyl)-5-[2-(4-me…

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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)	4.16	10.62	-46.9	0	7	-1	89	418.882	9	↓ MOL2 SDF SMILES Flexibase

13280623

Analogs

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Popular Name: 2-[3-(4-chlorophenyl)-5-[2-(2,5-dimethylphenoxy)ethylsulfanyl]-1,2,4-triazol-4-yl]acetic 2-[3-(4-chlorophenyl)-5-[2-(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)	4.92	12.76	-46.57	0	6	-1	80	416.91	8	↓ MOL2 SDF SMILES Flexibase

13280626

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-(4-chlorophenyl)-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-4-yl]acetic 2-[3-(4-chlorophenyl)-5-(2-pheno…

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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	11.34	-46.42	0	6	-1	80	388.856	8	↓ MOL2 SDF SMILES Flexibase

13280678

Analogs

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Popular Name: 2-[3-(4-chlorophenyl)-5-[2-(2,6-dimethylphenoxy)ethylsulfanyl]-1,2,4-triazol-4-yl]acetic 2-[3-(4-chlorophenyl)-5-[2-(2,6-…

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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)	4.90	12.88	-46.71	0	6	-1	80	416.91	8	↓ MOL2 SDF SMILES Flexibase

13280679

Analogs

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Popular Name: 2-[3-(4-chlorophenyl)-5-[2-(2,6-dichlorophenoxy)ethylsulfanyl]-1,2,4-triazol-4-yl]acetic 2-[3-(4-chlorophenyl)-5-[2-(2,6-…

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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	12.6	-48.38	0	6	-1	80	457.746	8	↓ MOL2 SDF SMILES Flexibase

13280680

Analogs

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Popular Name: 2-[3-[2-(2-acetylphenoxy)ethylsulfanyl]-5-(4-chlorophenyl)-1,2,4-triazol-4-yl]acetic 2-[3-[2-(2-acetylphenoxy)ethylsu…

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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)	3.95	13	-54.56	0	7	-1	97	430.893	9	↓ MOL2 SDF SMILES Flexibase

13280682

Analogs

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Popular Name: 2-[3-(4-chlorophenyl)-5-[2-(4-propoxyphenoxy)ethylsulfanyl]-1,2,4-triazol-4-yl]acetic 2-[3-(4-chlorophenyl)-5-[2-(4-pr…

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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)	5.03	12.35	-46.4	0	7	-1	89	446.936	11	↓ MOL2 SDF SMILES Flexibase

13280685

Analogs

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Popular Name: 2-[3-[2-(4-tert-butylphenoxy)ethylsulfanyl]-5-(4-chlorophenyl)-1,2,4-triazol-4-yl]acetic 2-[3-[2-(4-tert-butylphenoxy)eth…

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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)	5.81	13.66	-45.98	0	6	-1	80	444.964	9	↓ MOL2 SDF SMILES Flexibase

13280715

Analogs

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Popular Name: 2-[3-(4-chlorophenyl)-5-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-1,2,4-triazol-4-yl]acetic 2-[3-(4-chlorophenyl)-5-[2-(3,5-…

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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)	4.92	12.67	-46.7	0	6	-1	80	416.91	8	↓ MOL2 SDF SMILES Flexibase

13280721

Analogs

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Popular Name: 2-[3-(4-chlorophenyl)-5-[2-(2,5-dichlorophenoxy)ethylsulfanyl]-1,2,4-triazol-4-yl]acetic 2-[3-(4-chlorophenyl)-5-[2-(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)	5.38	12.42	-46.05	0	6	-1	80	457.746	8	↓ MOL2 SDF SMILES Flexibase

13280739

Analogs

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Popular Name: 2-[3-(4-chlorophenyl)-5-[2-[4-(dimethylsulfamoyl)phenoxy]ethylsulfanyl]-1,2,4-triazol-4-yl]acetic 2-[3-(4-chlorophenyl)-5-[2-[4-(d…

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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)	3.41	9.28	-51.44	0	9	-1	117	495.99	10	↓ MOL2 SDF SMILES Flexibase

13280753

Analogs

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Popular Name: 2-[3-(4-chlorophenyl)-5-[2-(4-ethoxyphenoxy)ethylsulfanyl]-1,2,4-triazol-4-yl]acetic 2-[3-(4-chlorophenyl)-5-[2-(4-et…

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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	11.55	-46.65	0	7	-1	89	432.909	10	↓ MOL2 SDF SMILES Flexibase

13280824

Analogs

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Popular Name: 2-[3-[2-(2-fluorophenoxy)ethylsulfanyl]-5-(p-tolyl)-1,2,4-triazol-4-yl]acetic 2-[3-[2-(2-fluorophenoxy)ethylsu…

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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	11.57	-52.75	0	6	-1	80	386.428	8	↓ MOL2 SDF SMILES Flexibase

13280825

Analogs

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Popular Name: 2-[3-[2-(4-bromophenoxy)ethylsulfanyl]-5-(p-tolyl)-1,2,4-triazol-4-yl]acetic 2-[3-[2-(4-bromophenoxy)ethylsul…

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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)	4.68	12.12	-48.83	0	6	-1	80	447.334	8	↓ MOL2 SDF SMILES Flexibase

13280830

Analogs

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Popular Name: 2-[3-[2-(2-chlorophenoxy)ethylsulfanyl]-5-(p-tolyl)-1,2,4-triazol-4-yl]acetic 2-[3-[2-(2-chlorophenoxy)ethylsu…

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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)	4.50	12.05	-51.46	0	6	-1	80	402.883	8	↓ MOL2 SDF SMILES Flexibase

13280831

Analogs

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Popular Name: 2-[3-[2-(4-chlorophenoxy)ethylsulfanyl]-5-(p-tolyl)-1,2,4-triazol-4-yl]acetic 2-[3-[2-(4-chlorophenoxy)ethylsu…

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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	12.01	-48.96	0	6	-1	80	402.883	8	↓ MOL2 SDF SMILES Flexibase

13280832

Analogs

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Popular Name: 2-[3-[2-(4-methylphenoxy)ethylsulfanyl]-5-(p-tolyl)-1,2,4-triazol-4-yl]acetic 2-[3-[2-(4-methylphenoxy)ethylsu…

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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)	4.32	12.17	-50.27	0	6	-1	80	382.465	8	↓ MOL2 SDF SMILES Flexibase

13280833

Analogs

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Popular Name: 2-[3-[2-(3-methylphenoxy)ethylsulfanyl]-5-(p-tolyl)-1,2,4-triazol-4-yl]acetic 2-[3-[2-(3-methylphenoxy)ethylsu…

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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)	4.29	12.17	-50.52	0	6	-1	80	382.465	8	↓ MOL2 SDF SMILES Flexibase

13280834

Analogs

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Popular Name: 2-[3-[2-(2-methylphenoxy)ethylsulfanyl]-5-(p-tolyl)-1,2,4-triazol-4-yl]acetic 2-[3-[2-(2-methylphenoxy)ethylsu…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.27	12.25	-50.45	0	6	-1	80	382.465	8	↓ MOL2 SDF SMILES Flexibase

13280835

Analogs

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Popular Name: 2-[3-[2-(4-fluorophenoxy)ethylsulfanyl]-5-(p-tolyl)-1,2,4-triazol-4-yl]acetic 2-[3-[2-(4-fluorophenoxy)ethylsu…

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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	11.56	-49.31	0	6	-1	80	386.428	8	↓ MOL2 SDF SMILES Flexibase

13280836

Analogs

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Popular Name: 2-[3-[2-(3-bromophenoxy)ethylsulfanyl]-5-(p-tolyl)-1,2,4-triazol-4-yl]acetic 2-[3-[2-(3-bromophenoxy)ethylsul…

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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	12.12	-49.63	0	6	-1	80	447.334	8	↓ MOL2 SDF SMILES Flexibase

13280837

Analogs

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Popular Name: 2-[3-[2-(2,4-dichlorophenoxy)ethylsulfanyl]-5-(p-tolyl)-1,2,4-triazol-4-yl]acetic 2-[3-[2-(2,4-dichlorophenoxy)eth…

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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)	5.15	12.56	-49.59	0	6	-1	80	437.328	8	↓ MOL2 SDF SMILES Flexibase

13280839

Analogs

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Popular Name: 2-[3-[2-(4-methoxyphenoxy)ethylsulfanyl]-5-(p-tolyl)-1,2,4-triazol-4-yl]acetic 2-[3-[2-(4-methoxyphenoxy)ethyls…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.93	10.78	-50.81	0	7	-1	89	398.464	9	↓ MOL2 SDF SMILES Flexibase

13280840

Analogs

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Popular Name: 2-[3-[2-(2,5-dimethylphenoxy)ethylsulfanyl]-5-(p-tolyl)-1,2,4-triazol-4-yl]acetic 2-[3-[2-(2,5-dimethylphenoxy)eth…

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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	12.91	-50.51	0	6	-1	80	396.492	8	↓ MOL2 SDF SMILES Flexibase

13280844

Analogs

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Popular Name: 2-[3-(2-phenoxyethylsulfanyl)-5-(p-tolyl)-1,2,4-triazol-4-yl]acetic 2-[3-(2-phenoxyethylsulfanyl)-5-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.87	11.49	-50.36	0	6	-1	80	368.438	8	↓ MOL2 SDF SMILES Flexibase

13280906

Analogs

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Popular Name: 2-[3-[2-(2,6-dimethylphenoxy)ethylsulfanyl]-5-(p-tolyl)-1,2,4-triazol-4-yl]acetic 2-[3-[2-(2,6-dimethylphenoxy)eth…

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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)	4.67	13.04	-50.67	0	6	-1	80	396.492	8	↓ MOL2 SDF SMILES Flexibase

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