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ZINC Item

Suppliers, Protomers, & Similar Substances

7150477

Analogs

7150481

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-diethyl-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-acetamide N,N-diethyl-2-[(4-ethyl-5-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)	4.55	13.52	-12.43	0	5	0	51	394.544	8	↓ MOL2 SDF SMILES Flexibase

7150481

Analogs

7150477

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-diethyl-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-acetamide N,N-diethyl-2-[(4-ethyl-5-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)	4.55	13.72	-12.62	0	5	0	51	394.544	8	↓ MOL2 SDF SMILES Flexibase

17971924

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)phenol 4-(5-benzylsulfanyl-4-methyl-1,2…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.61	8.29	-11.8	1	4	0	51	297.383	4	↓ MOL2 SDF SMILES Flexibase

11808004

Analogs

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Popular Name: 2-[[4-amino-5-[4-(difluoromethoxy)phenyl]-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-acetamide 2-[[4-amino-5-[4-(difluoromethox…

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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)	2.81	-3.18	-17.25	4	7	0	109	391.403	7	↓ MOL2 SDF SMILES Flexibase

11808006

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-amino-5-[4-(difluoromethoxy)phenyl]-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-acetamide 2-[[4-amino-5-[4-(difluoromethox…

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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)	2.81	-3.19	-20.26	4	7	0	109	391.403	7	↓ MOL2 SDF SMILES Flexibase

11810487

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-acetamide 2-[[5-(2-methoxyphenyl)-4-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)	2.82	-1.01	-21.83	2	6	0	83	354.435	6	↓ MOL2 SDF SMILES Flexibase

11810490

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-acetamide 2-[[5-(2-methoxyphenyl)-4-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)	2.82	-1.07	-20.48	2	6	0	83	354.435	6	↓ MOL2 SDF SMILES Flexibase

11810661

Analogs

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Popular Name: 2-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-acetamide 2-[[4-ethyl-5-(2-methoxyphenyl)-…

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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	-0.85	-19.98	2	6	0	83	368.462	7	↓ MOL2 SDF SMILES Flexibase

11810663

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-acetamide 2-[[4-ethyl-5-(2-methoxyphenyl)-…

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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	-0.76	-21.62	2	6	0	83	368.462	7	↓ MOL2 SDF SMILES Flexibase

11811067

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-acetamide 2-[[5-(4-methoxyphenyl)-4-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)	2.86	-1.12	-17.91	2	6	0	83	354.435	6	↓ MOL2 SDF SMILES Flexibase

11811069

Analogs

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Popular Name: 2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-acetamide 2-[[5-(4-methoxyphenyl)-4-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)	2.86	-1.1	-18.98	2	6	0	83	354.435	6	↓ MOL2 SDF SMILES Flexibase

22699570

Analogs

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Popular Name: 3-[(3-chlorophenyl)methylsulfanyl]-5-[4-(difluoromethoxy)phenyl]-1,2,4-triazol-4-amine 3-[(3-chlorophenyl)methylsulfany…

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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)	4.74	9.67	-12.32	2	5	0	66	382.823	6	↓ MOL2 SDF SMILES Flexibase

22708475

Analogs

8252210

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3-fluorophenyl)methylsulfanyl]-5-(2-methoxyphenyl)-1,2,4-triazol-4-amine 3-[(3-fluorophenyl)methylsulfany…

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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)	3.62	9.28	-15.17	2	5	0	66	330.388	5	↓ MOL2 SDF SMILES Flexibase

13266595

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic 4-[[5-(4-methoxyphenyl)-4-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)	4.06	10.06	-56.23	0	6	-1	80	354.411	6	↓ MOL2 SDF SMILES Flexibase

13270434

Analogs

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Popular Name: 2-[3-[[4-(difluoromethoxy)-5-methoxy-2-nitro-phenyl]methylsulfanyl]-5-(p-tolyl)-1,2,4-triazol-4-yl]a 2-[3-[[4-(difluoromethoxy)-5-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)	3.87	11.94	-55.45	0	10	-1	135	479.441	10	↓ MOL2 SDF SMILES Flexibase

13270445

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[3-[[4-(difluoromethoxy)-5-methoxy-2-nitro-phenyl]methylsulfanyl]-5-(4-fluorophenyl)-1,2,4-triazol 3-[3-[[4-(difluoromethoxy)-5-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)	3.86	11.76	-50.61	0	10	-1	135	497.431	11	↓ MOL2 SDF SMILES Flexibase

13270534

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-[[4-(difluoromethoxy)-5-methoxy-2-nitro-phenyl]methylsulfanyl]-5-(4-methoxyphenyl)-1,2,4-triazo 2-[3-[[4-(difluoromethoxy)-5-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)	3.48	10.55	-55.27	0	11	-1	144	495.44	11	↓ MOL2 SDF SMILES Flexibase

13270557

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-[[4-(difluoromethoxy)-5-methoxy-2-nitro-phenyl]methylsulfanyl]-5-(m-tolyl)-1,2,4-triazol-4-yl]a 2-[3-[[4-(difluoromethoxy)-5-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)	3.85	11.95	-55.17	0	10	-1	135	479.441	10	↓ MOL2 SDF SMILES Flexibase

13270683

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[3-[[4-(difluoromethoxy)-5-methoxy-2-nitro-phenyl]methylsulfanyl]-5-(p-tolyl)-1,2,4-triazol-4-yl]p 3-[3-[[4-(difluoromethoxy)-5-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)	4.14	12.37	-53.21	0	10	-1	135	493.468	11	↓ MOL2 SDF SMILES Flexibase

13270703

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[3-[[4-(difluoromethoxy)-5-methoxy-2-nitro-phenyl]methylsulfanyl]-5-(m-tolyl)-1,2,4-triazol-4-yl]p 3-[3-[[4-(difluoromethoxy)-5-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)	4.12	12.38	-52.85	0	10	-1	135	493.468	11	↓ MOL2 SDF SMILES Flexibase

23014139

Analogs

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Popular Name: 4-allyl-3-(4-chlorophenyl)-5-[[4-(difluoromethoxy)-3-methoxy-phenyl]methylsulfanyl]-1,2,4-triazole 4-allyl-3-(4-chlorophenyl)-5-[[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)	5.61	12.52	-12.6	0	5	0	49	437.899	9	↓ MOL2 SDF SMILES Flexibase

23014271

Analogs

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Popular Name: 3-[[4-(difluoromethoxy)-3-methoxy-phenyl]methylsulfanyl]-4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazole 3-[[4-(difluoromethoxy)-3-methox…

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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	10.88	-16.99	0	6	0	58	421.469	9	↓ MOL2 SDF SMILES Flexibase

23014642

Analogs

7392558

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[4-(difluoromethoxy)-3-methoxy-phenyl]methylsulfanyl]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole 3-[[4-(difluoromethoxy)-3-methox…

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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)	4.35	9.96	-14.92	0	6	0	58	407.442	8	↓ MOL2 SDF SMILES Flexibase

13280592

Analogs

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Popular Name: 2-[3-(4-chlorophenyl)-5-[(4-cyanophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]acetic 2-[3-(4-chlorophenyl)-5-[(4-cyan…

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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)	3.77	12.15	-46.98	0	6	-1	95	383.84	6	↓ MOL2 SDF SMILES Flexibase

13280593

Analogs

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

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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)	4.69	12.27	-45.23	0	5	-1	71	393.275	6	↓ MOL2 SDF SMILES Flexibase

13280594

Analogs

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Popular Name: 2-[3-(4-chlorophenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]acetic 2-[3-(4-chlorophenyl)-5-[(4-nitr…

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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)	3.97	12.43	-46.63	0	8	-1	117	403.827	7	↓ MOL2 SDF SMILES Flexibase

13280595

Analogs

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

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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)	4.01	11.75	-46.92	0	5	-1	71	358.83	6	↓ MOL2 SDF SMILES Flexibase

13280597

Analogs

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Popular Name: 2-[3-[(4-bromophenyl)methylsulfanyl]-5-(4-chlorophenyl)-1,2,4-triazol-4-yl]acetic 2-[3-[(4-bromophenyl)methylsulfa…

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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)	4.82	12.38	-45.13	0	5	-1	71	437.726	6	↓ MOL2 SDF SMILES Flexibase

13280599

Analogs

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Popular Name: 2-[3-(4-chlorophenyl)-5-[(4-methoxycarbonylphenyl)methylsulfanyl]-1,2,4-triazol-4-yl]acetic 2-[3-(4-chlorophenyl)-5-[(4-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)	4.18	12.42	-47.64	0	7	-1	97	416.866	8	↓ MOL2 SDF SMILES Flexibase

13280600

Analogs

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

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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	12.27	-46.89	0	5	-1	71	393.275	6	↓ MOL2 SDF SMILES Flexibase

13280601

Analogs

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

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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)	4.64	12.19	-47.3	0	5	-1	71	393.275	6	↓ MOL2 SDF SMILES Flexibase

13280602

Analogs

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Popular Name: 2-[3-(4-chlorophenyl)-5-[(2,4-dichlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]acetic 2-[3-(4-chlorophenyl)-5-[(2,4-di…

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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)	5.30	12.7	-47.03	0	5	-1	71	427.72	6	↓ MOL2 SDF SMILES Flexibase

13280603

Analogs

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Popular Name: 2-[3-(4-chlorophenyl)-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]acetic 2-[3-(4-chlorophenyl)-5-[(4-fluo…

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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	11.82	-45.53	0	5	-1	71	376.82	6	↓ MOL2 SDF SMILES Flexibase

13280604

Analogs

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Popular Name: 2-[3-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-5-(4-chlorophenyl)-1,2,4-triazol-4-yl]acetic 2-[3-[(2-chloro-6-fluoro-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)	4.76	12.22	-49.82	0	5	-1	71	411.265	6	↓ MOL2 SDF SMILES Flexibase

13280605

Analogs

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

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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)	5.27	12.62	-49.21	0	5	-1	71	427.72	6	↓ MOL2 SDF SMILES Flexibase

13280606

Analogs

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Popular Name: 2-[3-(4-chlorophenyl)-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]acetic 2-[3-(4-chlorophenyl)-5-[(3-nitr…

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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	12.43	-51.81	0	8	-1	117	403.827	7	↓ MOL2 SDF SMILES Flexibase

13280607

Analogs

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Popular Name: 2-[3-(4-chlorophenyl)-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-4-yl]acetic 2-[3-(4-chlorophenyl)-5-[[3-(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)	4.88	12.77	-47.81	0	5	-1	71	426.827	7	↓ MOL2 SDF SMILES Flexibase

13280609

Analogs

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

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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)	4.46	12.43	-46.98	0	5	-1	71	372.857	6	↓ MOL2 SDF SMILES Flexibase

13280612

Analogs

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Popular Name: 2-[3-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]-5-(4-chlorophenyl)-1,2,4-triazol-4-yl]acetic 2-[3-[(5-acetyl-2-methoxy-phenyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.90	11.52	-49.32	0	7	-1	97	430.893	8	↓ MOL2 SDF SMILES Flexibase

13280627

Analogs

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Popular Name: 2-[3-[(4-tert-butylphenyl)methylsulfanyl]-5-(4-chlorophenyl)-1,2,4-triazol-4-yl]acetic 2-[3-[(4-tert-butylphenyl)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)	5.72	14.08	-46.51	0	5	-1	71	414.938	7	↓ MOL2 SDF SMILES Flexibase

13280628

Analogs

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Popular Name: 2-[3-[(2-chloro-4-fluoro-phenyl)methylsulfanyl]-5-(4-chlorophenyl)-1,2,4-triazol-4-yl]acetic 2-[3-[(2-chloro-4-fluoro-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)	4.78	12.25	-47.19	0	5	-1	71	411.265	6	↓ MOL2 SDF SMILES Flexibase

13280629

Analogs

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Popular Name: 2-[3-(4-chlorophenyl)-5-[(3-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]acetic 2-[3-(4-chlorophenyl)-5-[(3-fluo…

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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)	4.15	11.82	-47.58	0	5	-1	71	376.82	6	↓ MOL2 SDF SMILES Flexibase

13280633

Analogs

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Popular Name: 2-[3-[(5-acetyl-2-ethoxy-phenyl)methylsulfanyl]-5-(4-chlorophenyl)-1,2,4-triazol-4-yl]acetic 2-[3-[(5-acetyl-2-ethoxy-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)	4.27	12.55	-55.51	0	7	-1	97	444.92	9	↓ MOL2 SDF SMILES Flexibase

13280671

Analogs

9071989

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Popular Name: 2-[3-(4-chlorophenyl)-5-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]-1,2,4-triazol-4-yl]acetic 2-[3-(4-chlorophenyl)-5-[[3-(dim…

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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)	3.30	9.75	-55.07	0	8	-1	108	465.964	8	↓ MOL2 SDF SMILES Flexibase

13280672

Analogs

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Popular Name: 2-[3-(4-chlorophenyl)-5-[(2,5-dimethylphenyl)methylsulfanyl]-1,2,4-triazol-4-yl]acetic 2-[3-(4-chlorophenyl)-5-[(2,5-di…

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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)	4.84	12.96	-46.84	0	5	-1	71	386.884	6	↓ MOL2 SDF SMILES Flexibase

13280673

Analogs

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Popular Name: 2-[3-(4-chlorophenyl)-5-[(3,4-dichlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]acetic 2-[3-(4-chlorophenyl)-5-[(3,4-di…

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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)	5.30	12.73	-44.38	0	5	-1	71	427.72	6	↓ MOL2 SDF SMILES Flexibase

13280681

Analogs

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Popular Name: 2-[3-(4-chlorophenyl)-5-[(2-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-4-yl]acetic 2-[3-(4-chlorophenyl)-5-[(2-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)	4.02	11.13	-49.46	0	6	-1	80	388.856	7	↓ MOL2 SDF SMILES Flexibase

13280683

Analogs

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Popular Name: 2-[3-[(2-bromophenyl)methylsulfanyl]-5-(4-chlorophenyl)-1,2,4-triazol-4-yl]acetic 2-[3-[(2-bromophenyl)methylsulfa…

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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)	4.77	12.28	-47.17	0	5	-1	71	437.726	6	↓ MOL2 SDF SMILES Flexibase

13280684

Analogs

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Popular Name: 2-[3-[(3-bromophenyl)methylsulfanyl]-5-(4-chlorophenyl)-1,2,4-triazol-4-yl]acetic 2-[3-[(3-bromophenyl)methylsulfa…

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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)	4.80	12.37	-46.9	0	5	-1	71	437.726	6	↓ MOL2 SDF SMILES Flexibase

13280687

Analogs

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Popular Name: 2-[3-(4-chlorophenyl)-5-[(1R)-1-(2-chlorophenyl)ethyl]sulfanyl-1,2,4-triazol-4-yl]acetic 2-[3-(4-chlorophenyl)-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)	5.01	12.76	-46.72	0	5	-1	71	407.302	6	↓ MOL2 SDF SMILES Flexibase

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