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ZINC Item

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49627921

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]phenyl]prop-2-enoic (E)-3-[3-[2-[(4-methyl-1,2,4-tri…

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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)	2.01	10.07	-58.97	0	6	-1	80	304.351	7	↓ MOL2 SDF SMILES Flexibase

49627922

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[4-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]phenyl]prop-2-enoic (E)-3-[4-[2-[(4-methyl-1,2,4-tri…

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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)	2.03	10.07	-57.92	0	6	-1	80	304.351	7	↓ MOL2 SDF SMILES Flexibase

45415792

Analogs

7104672
7227228
7227229

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[4-isobutyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]propanamide 3-[4-isobutyl-5-(2-phenoxyethyls…

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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)	2.47	7.2	-14.68	2	6	0	83	348.472	10	↓ MOL2 SDF SMILES Flexibase

53393329

Analogs

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Popular Name: 3-[2-(2-nitrophenoxy)ethylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine 3-[2-(2-nitrophenoxy)ethylsulfan…

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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)	2.36	7.97	-17.04	2	8	0	112	349.294	7	↓ MOL2 SDF SMILES Flexibase

53393342

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	2.18	6.88	-12.01	2	6	0	90	329.307	6	↓ MOL2 SDF SMILES Flexibase

53592424

Analogs

7103768
7227229

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[5-[2-(3-cyanophenoxy)ethylsulfanyl]-4-isobutyl-1,2,4-triazol-3-yl]propanamide 3-[5-[2-(3-cyanophenoxy)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)	2.20	7.59	-18.2	2	7	0	107	373.482	10	↓ MOL2 SDF SMILES Flexibase

13270512

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-[2-(4-ethoxyphenoxy)ethylsulfanyl]-5-propyl-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)	2.90	9.79	-46.81	0	7	-1	89	364.447	11	↓ MOL2 SDF SMILES Flexibase

57949123

Analogs

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Popular Name: 4-isopropyl-5-[2-(2-methoxyphenoxy)ethylsulfanyl]-1,2,4-triazol-3-amine 4-isopropyl-5-[2-(2-methoxypheno…

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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)	2.22	8.83	-15.51	2	6	0	75	308.407	7	↓ MOL2 SDF SMILES Flexibase

57951069

Analogs

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Popular Name: 5-[2-(2-bromo-4-chloro-phenoxy)ethylsulfanyl]-4-isopropyl-1,2,4-triazol-3-amine 5-[2-(2-bromo-4-chloro-phenoxy)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)	4.02	10.12	-13.26	2	5	0	66	391.722	6	↓ MOL2 SDF SMILES Flexibase

57951882

Analogs

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Popular Name: 5-[2-(2,6-dichlorophenoxy)ethylsulfanyl]-4-isopropyl-1,2,4-triazol-3-amine 5-[2-(2,6-dichlorophenoxy)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)	3.86	10.19	-13.02	2	5	0	66	347.271	6	↓ MOL2 SDF SMILES Flexibase

57951885

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-[(5-amino-4-isopropyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzonitrile 4-[2-[(5-amino-4-isopropyl-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)	2.36	9.34	-14.96	2	6	0	90	303.391	6	↓ MOL2 SDF SMILES Flexibase

57952184

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[2-(2-fluorophenoxy)ethylsulfanyl]-4-isopropyl-1,2,4-triazol-3-amine 5-[2-(2-fluorophenoxy)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)	2.72	9.01	-15.43	2	5	0	66	296.371	6	↓ MOL2 SDF SMILES Flexibase

57952319

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[2-(4-chlorophenoxy)ethylsulfanyl]-4-isopropyl-1,2,4-triazol-3-amine 5-[2-(4-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)	3.28	9.45	-12.05	2	5	0	66	312.826	6	↓ MOL2 SDF SMILES Flexibase

57952322

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-isopropyl-5-[2-(4-methylphenoxy)ethylsulfanyl]-1,2,4-triazol-3-amine 4-isopropyl-5-[2-(4-methylphenox…

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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)	3.05	9.61	-12.41	2	5	0	66	292.408	6	↓ MOL2 SDF SMILES Flexibase

57952324

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-isopropyl-5-[2-(3-methylphenoxy)ethylsulfanyl]-1,2,4-triazol-3-amine 4-isopropyl-5-[2-(3-methylphenox…

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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)	3.03	9.61	-12.54	2	5	0	66	292.408	6	↓ MOL2 SDF SMILES Flexibase

57952327

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-isopropyl-5-[2-(2-methylphenoxy)ethylsulfanyl]-1,2,4-triazol-3-amine 4-isopropyl-5-[2-(2-methylphenox…

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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)	3.00	9.69	-12.37	2	5	0	66	292.408	6	↓ MOL2 SDF SMILES Flexibase

57952331

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[2-(3-chlorophenoxy)ethylsulfanyl]-4-isopropyl-1,2,4-triazol-3-amine 5-[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)	3.26	9.45	-12.94	2	5	0	66	312.826	6	↓ MOL2 SDF SMILES Flexibase

57952333

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[2-(2,4-dichlorophenoxy)ethylsulfanyl]-4-isopropyl-1,2,4-triazol-3-amine 5-[2-(2,4-dichlorophenoxy)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)	3.89	10	-13.36	2	5	0	66	347.271	6	↓ MOL2 SDF SMILES Flexibase

57952341

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-isopropyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-amine 4-isopropyl-5-(2-phenoxyethylsul…

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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)	2.60	8.93	-12.46	2	5	0	66	278.381	6	↓ MOL2 SDF SMILES Flexibase

61304835

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-5-[2-(2-methylphenoxy)ethylsulfanyl]-1,2,4-triazol-4-amine 3-methyl-5-[2-(2-methylphenoxy)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)	1.93	6.95	-11.96	2	5	0	66	264.354	5	↓ MOL2 SDF SMILES Flexibase

61304970

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-(4-isopropyl-3-methyl-phenoxy)ethylsulfanyl]-5-methyl-1,2,4-triazol-4-amine 3-[2-(4-isopropyl-3-methyl-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)	2.95	8.65	-11.85	2	5	0	66	306.435	6	↓ MOL2 SDF SMILES Flexibase

62798173

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[2-(2-chlorophenoxy)ethylsulfanyl]-4-isopropyl-1,2,4-triazol-3-amine 5-[2-(2-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)	3.23	9.49	-14.08	2	5	0	66	312.826	6	↓ MOL2 SDF SMILES Flexibase

62798179

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[2-(4-bromophenoxy)ethylsulfanyl]-4-isopropyl-1,2,4-triazol-3-amine 5-[2-(4-bromophenoxy)ethylsulfan…

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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	9.56	-11.96	2	5	0	66	357.277	6	↓ MOL2 SDF SMILES Flexibase

62798192

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-4-isopropyl-1,2,4-triazol-3-amine 5-[2-(3,5-dimethylphenoxy)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)	3.43	10.27	-12.6	2	5	0	66	306.435	6	↓ MOL2 SDF SMILES Flexibase

62798224

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[2-(4-fluorophenoxy)ethylsulfanyl]-4-isopropyl-1,2,4-triazol-3-amine 5-[2-(4-fluorophenoxy)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)	2.77	9	-12.49	2	5	0	66	296.371	6	↓ MOL2 SDF SMILES Flexibase

62798225

Analogs

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Popular Name: 5-[2-(3-bromophenoxy)ethylsulfanyl]-4-isopropyl-1,2,4-triazol-3-amine 5-[2-(3-bromophenoxy)ethylsulfan…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.39	9.56	-12.91	2	5	0	66	357.277	6	↓ MOL2 SDF SMILES Flexibase

62798226

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-isopropyl-5-[2-(4-methoxyphenoxy)ethylsulfanyl]-1,2,4-triazol-3-amine 4-isopropyl-5-[2-(4-methoxypheno…

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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)	2.66	8.22	-13.32	2	6	0	75	308.407	7	↓ MOL2 SDF SMILES Flexibase

62798227

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[2-(2,5-dimethylphenoxy)ethylsulfanyl]-4-isopropyl-1,2,4-triazol-3-amine 5-[2-(2,5-dimethylphenoxy)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)	3.43	10.35	-12.42	2	5	0	66	306.435	6	↓ MOL2 SDF SMILES Flexibase

69771676

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]phenyl]acetonitrile 2-[4-[2-[(5-amino-4-methyl-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)	1.83	8.8	-19.1	2	6	0	90	289.364	6	↓ MOL2 SDF SMILES Flexibase

49372294

Analogs

36672147
46875608

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-3-[2-(4-nitrophenoxy)ethylsulfanyl]-1,2,4-triazole 4-methyl-3-[2-(4-nitrophenoxy)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)	2.02	8.93	-15.53	0	7	0	86	280.309	6	↓ MOL2 SDF SMILES Flexibase

49372330

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-5-[2-(4-nitrophenoxy)ethylsulfanyl]-1,2,4-triazol-4-amine 3-methyl-5-[2-(4-nitrophenoxy)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)	1.49	6.9	-14.36	2	8	0	112	295.324	6	↓ MOL2 SDF SMILES Flexibase

41769713

Analogs

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Popular Name: 4-isopropyl-3-(2-phenoxyethylsulfanyl)-1,2,4-triazole 4-isopropyl-3-(2-phenoxyethylsul…

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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)	2.80	9.53	-10.97	0	4	0	40	263.366	6	↓ MOL2 SDF SMILES Flexibase

41769716

Analogs

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Popular Name: 3-[2-(4-chlorophenoxy)ethylsulfanyl]-4-isopropyl-1,2,4-triazole 3-[2-(4-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)	3.48	10.05	-10.48	0	4	0	40	297.811	6	↓ MOL2 SDF SMILES Flexibase

41769719

Analogs

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Popular Name: 4-isopropyl-3-[2-(4-methylphenoxy)ethylsulfanyl]-1,2,4-triazole 4-isopropyl-3-[2-(4-methylphenox…

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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)	3.25	10.21	-10.86	0	4	0	40	277.393	6	↓ MOL2 SDF SMILES Flexibase

41769722

Analogs

42981707

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Popular Name: 4-isopropyl-3-[2-(3-methylphenoxy)ethylsulfanyl]-1,2,4-triazole 4-isopropyl-3-[2-(3-methylphenox…

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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)	3.22	10.2	-11.05	0	4	0	40	277.393	6	↓ MOL2 SDF SMILES Flexibase

41769725

Analogs

41770062

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Popular Name: 4-isopropyl-3-[2-(2-methylphenoxy)ethylsulfanyl]-1,2,4-triazole 4-isopropyl-3-[2-(2-methylphenox…

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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)	3.20	10.28	-10.86	0	4	0	40	277.393	6	↓ MOL2 SDF SMILES Flexibase

41769727

Analogs

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Popular Name: 3-[2-(3-chlorophenoxy)ethylsulfanyl]-4-isopropyl-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)	3.45	10.05	-11.36	0	4	0	40	297.811	6	↓ MOL2 SDF SMILES Flexibase

41769730

Analogs

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Popular Name: 3-[2-(2,4-dichlorophenoxy)ethylsulfanyl]-4-isopropyl-1,2,4-triazole 3-[2-(2,4-dichlorophenoxy)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)	4.08	10.6	-11.76	0	4	0	40	332.256	6	↓ MOL2 SDF SMILES Flexibase

41769777

Analogs

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Popular Name: 3-[2-(4-bromophenoxy)ethylsulfanyl]-4-isopropyl-1,2,4-triazole 3-[2-(4-bromophenoxy)ethylsulfan…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.61	10.15	-10.44	0	4	0	40	342.262	6	↓ MOL2 SDF SMILES Flexibase

41770062

Analogs

41769725

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Popular Name: 3-[2-(2,6-dimethylphenoxy)ethylsulfanyl]-4-isopropyl-1,2,4-triazole 3-[2-(2,6-dimethylphenoxy)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)	3.60	10.96	-10.55	0	4	0	40	291.42	6	↓ MOL2 SDF SMILES Flexibase

41770065

Analogs

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Popular Name: 3-[2-(2,6-dichlorophenoxy)ethylsulfanyl]-4-isopropyl-1,2,4-triazole 3-[2-(2,6-dichlorophenoxy)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)	4.06	10.79	-11.59	0	4	0	40	332.256	6	↓ MOL2 SDF SMILES Flexibase

41770068

Analogs

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

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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)	2.55	9.94	-13.38	0	5	0	64	288.376	6	↓ MOL2 SDF SMILES Flexibase

42128496

Analogs

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Popular Name: 3-methyl-5-[2-(3-nitrophenoxy)ethylsulfanyl]-1,2,4-triazol-4-amine 3-methyl-5-[2-(3-nitrophenoxy)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)	1.47	6.89	-16.58	2	8	0	112	295.324	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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