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ZINC Item

Suppliers, Protomers, & Similar Substances

33220909

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-iodo-3-methyl-N-(2-phenylsulfanylethyl)benzamide 2-iodo-3-methyl-N-(2-phenylsulfa…

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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)	4.63	9.53	-12.15	1	2	0	29	397.281	5	↓ MOL2 SDF SMILES Flexibase

33220911

Analogs

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Popular Name: 5-chloro-2-iodo-N-(2-phenylsulfanylethyl)benzamide 5-chloro-2-iodo-N-(2-phenylsulfa…

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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	9.43	-9.49	1	2	0	29	417.699	5	↓ MOL2 SDF SMILES Flexibase

33220912

Analogs

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Popular Name: 4-chloro-2-iodo-N-(2-phenylsulfanylethyl)benzamide 4-chloro-2-iodo-N-(2-phenylsulfa…

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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	9.42	-11.39	1	2	0	29	417.699	5	↓ MOL2 SDF SMILES Flexibase

36329422

Analogs

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Popular Name: N-[2-(3,4-dimethylphenyl)sulfanylethyl]-5-(2-methoxyethylsulfamoyl)-2-methyl-benzamide N-[2-(3,4-dimethylphenyl)sulfany…

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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)	3.44	5.84	-14.01	2	6	0	85	436.599	10	↓ MOL2 SDF SMILES Flexibase

13012903

Analogs

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Popular Name: N-[2-(3,4-dimethylphenyl)sulfanylethyl]-3-(methylsulfamoyl)benzamide N-[2-(3,4-dimethylphenyl)sulfany…

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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)	3.06	5.21	-19.27	2	5	0	75	378.519	7	↓ MOL2 SDF SMILES Flexibase

57987266

Analogs

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Popular Name: 3-(allylsulfamoyl)-N-[2-(p-tolylsulfanyl)ethyl]benzamide 3-(allylsulfamoyl)-N-[2-(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)	3.33	6.08	-17.76	2	5	0	75	390.53	9	↓ MOL2 SDF SMILES Flexibase

57987286

Analogs

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Popular Name: 3-(ethylsulfamoyl)-N-[2-(p-tolylsulfanyl)ethyl]benzamide 3-(ethylsulfamoyl)-N-[2-(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)	3.06	5.53	-18.72	2	5	0	75	378.519	8	↓ MOL2 SDF SMILES Flexibase

13680171

Analogs

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Popular Name: 4-(ethyl-methylsulfonyl-amino)-N-[2-(p-tolylsulfanyl)ethyl]benzamide 4-(ethyl-methylsulfonyl-amino)-N…

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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)	3.49	7.39	-17.65	1	5	0	66	392.546	8	↓ MOL2 SDF SMILES Flexibase

13681548

Analogs

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Popular Name: 4-(ethyl-methylsulfonyl-amino)-N-(2-phenylsulfanylethyl)benzamide 4-(ethyl-methylsulfonyl-amino)-N…

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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)	3.04	6.72	-17.64	1	5	0	66	378.519	8	↓ MOL2 SDF SMILES Flexibase

14015443

Analogs

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Popular Name: 3-hydroxy-4-nitro-N-(2-phenylsulfanylethyl)benzamide 3-hydroxy-4-nitro-N-(2-phenylsul…

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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	6.61	-14.86	2	6	0	95	318.354	6	↓ MOL2 SDF SMILES Flexibase

14246169

Analogs

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Popular Name: 2,5-dichloro-N-(2-phenylsulfanylethyl)benzamide 2,5-dichloro-N-(2-phenylsulfanyl…

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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	8.87	-9.32	1	2	0	29	326.248	5	↓ MOL2 SDF SMILES Flexibase

14247230

Analogs

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Popular Name: 3,4-dimethyl-N-[2-(p-tolylsulfanyl)ethyl]-5-sulfamoyl-benzamide 3,4-dimethyl-N-[2-(p-tolylsulfan…

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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)	3.09	4.78	-20.01	3	5	0	89	378.519	6	↓ MOL2 SDF SMILES Flexibase

2985779

Analogs

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Popular Name: 2-chloro-N-[2-(phenylthio)ethyl]benzamide 2-chloro-N-[2-(phenylthio)ethyl]…

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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)	3.82	8.35	-12.03	1	2	0	29	291.803	5	↓ MOL2 SDF SMILES Flexibase

14803315

Analogs

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Popular Name: 4-acetamido-N-[2-(p-tolylsulfanyl)ethyl]benzamide 4-acetamido-N-[2-(p-tolylsulfany…

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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	7.41	-14.4	2	4	0	58	328.437	6	↓ MOL2 SDF SMILES Flexibase

14803331

Analogs

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Popular Name: 2,3-dimethyl-N-[2-(p-tolylsulfanyl)ethyl]benzamide 2,3-dimethyl-N-[2-(p-tolylsulfan…

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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)	4.44	9.75	-9.42	1	2	0	29	299.439	5	↓ MOL2 SDF SMILES Flexibase

14803349

Analogs

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Popular Name: 4-cyano-N-[2-(p-tolylsulfanyl)ethyl]benzamide 4-cyano-N-[2-(p-tolylsulfanyl)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)	3.39	8.91	-12.56	1	3	0	53	296.395	5	↓ MOL2 SDF SMILES Flexibase

14803355

Analogs

8361214

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Popular Name: 2,3-dimethoxy-N-[2-(p-tolylsulfanyl)ethyl]benzamide 2,3-dimethoxy-N-[2-(p-tolylsulfa…

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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	8.84	-15.04	1	4	0	48	331.437	7	↓ MOL2 SDF SMILES Flexibase

14803357

Analogs

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Popular Name: 2,4-dimethoxy-N-[2-(p-tolylsulfanyl)ethyl]benzamide 2,4-dimethoxy-N-[2-(p-tolylsulfa…

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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)	4.23	8.39	-14.33	1	4	0	48	331.437	7	↓ MOL2 SDF SMILES Flexibase

14803360

Analogs

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Popular Name: 3,5-dimethyl-N-[2-(p-tolylsulfanyl)ethyl]benzamide 3,5-dimethyl-N-[2-(p-tolylsulfan…

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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	9.85	-10.19	1	2	0	29	299.439	5	↓ MOL2 SDF SMILES Flexibase

14803364

Analogs

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Popular Name: 2,4,5-trimethoxy-N-[2-(p-tolylsulfanyl)ethyl]benzamide 2,4,5-trimethoxy-N-[2-(p-tolylsu…

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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)	3.82	8.34	-14.94	1	5	0	57	361.463	8	↓ MOL2 SDF SMILES Flexibase

14803452

Analogs

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Popular Name: 4-chloro-N-[2-(p-tolylsulfanyl)ethyl]-3-sulfamoyl-benzamide 4-chloro-N-[2-(p-tolylsulfanyl)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)	2.94	4.01	-18.89	3	5	0	89	384.91	6	↓ MOL2 SDF SMILES Flexibase

14803466

Analogs

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Popular Name: 3-(methylsulfamoyl)-N-[2-(p-tolylsulfanyl)ethyl]benzamide 3-(methylsulfamoyl)-N-[2-(p-toly…

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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)	2.68	4.68	-18.38	2	5	0	75	364.492	7	↓ MOL2 SDF SMILES Flexibase

14803705

Analogs

8361184
8125295

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Popular Name: 4-(methylsulfonylmethyl)-N-[2-(p-tolylsulfanyl)ethyl]benzamide 4-(methylsulfonylmethyl)-N-[2-(p…

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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)	3.01	6.74	-21.66	1	4	0	63	363.504	7	↓ MOL2 SDF SMILES Flexibase

14803722

Analogs

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Popular Name: 4-methoxy-3-(methylsulfamoyl)-N-[2-(p-tolylsulfanyl)ethyl]benzamide 4-methoxy-3-(methylsulfamoyl)-N-…

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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)	2.69	4.53	-21.65	2	6	0	85	394.518	8	↓ MOL2 SDF SMILES Flexibase

14803724

Analogs

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Popular Name: N-[2-(p-tolylsulfanyl)ethyl]-4-sulfamoyl-benzamide N-[2-(p-tolylsulfanyl)ethyl]-4-s…

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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)	2.33	3.48	-16.94	3	5	0	89	350.465	6	↓ MOL2 SDF SMILES Flexibase

14803726

Analogs

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Popular Name: 2-chloro-5-(methylsulfamoyl)-N-[2-(p-tolylsulfanyl)ethyl]benzamide 2-chloro-5-(methylsulfamoyl)-N-[…

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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)	3.31	5.21	-14.74	2	5	0	75	398.937	7	↓ MOL2 SDF SMILES Flexibase

14803748

Analogs

8361196

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Popular Name: 4-ethoxy-3-methoxy-N-[2-(p-tolylsulfanyl)ethyl]benzamide 4-ethoxy-3-methoxy-N-[2-(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)	3.66	8.64	-13.58	1	4	0	48	345.464	8	↓ MOL2 SDF SMILES Flexibase

14803764

Analogs

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Popular Name: 4-methylamino-3-nitro-N-[2-(p-tolylsulfanyl)ethyl]benzamide 4-methylamino-3-nitro-N-[2-(p-to…

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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)	3.38	8.25	-17.54	2	6	0	87	345.424	7	↓ MOL2 SDF SMILES Flexibase

14803824

Analogs

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Popular Name: 5-(ethylsulfamoyl)-2-methyl-N-[2-(p-tolylsulfanyl)ethyl]benzamide 5-(ethylsulfamoyl)-2-methyl-N-[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)	3.46	6.21	-12.97	2	5	0	75	392.546	8	↓ MOL2 SDF SMILES Flexibase

14803833

Analogs

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Popular Name: N-[2-(p-tolylsulfanyl)ethyl]-3-ureido-benzamide N-[2-(p-tolylsulfanyl)ethyl]-3-u…

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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)	2.75	4.59	-21.86	4	5	0	84	329.425	6	↓ MOL2 SDF SMILES Flexibase

14803849

Analogs

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Popular Name: 4-chloro-3-methylsulfonyl-N-[2-(p-tolylsulfanyl)ethyl]benzamide 4-chloro-3-methylsulfonyl-N-[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)	3.55	6.44	-19.27	1	4	0	63	383.922	6	↓ MOL2 SDF SMILES Flexibase

14803851

Analogs

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Popular Name: 2-methyl-5-methylsulfonyl-N-[2-(p-tolylsulfanyl)ethyl]benzamide 2-methyl-5-methylsulfonyl-N-[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)	2.88	6.73	-15.4	1	4	0	63	363.504	6	↓ MOL2 SDF SMILES Flexibase

14803874

Analogs

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Popular Name: 3-(isopropylsulfamoyl)-4-methoxy-N-[2-(p-tolylsulfanyl)ethyl]benzamide 3-(isopropylsulfamoyl)-4-methoxy…

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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)	3.36	5.99	-20.94	2	6	0	85	422.572	9	↓ MOL2 SDF SMILES Flexibase

14803900

Analogs

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Popular Name: 3-(diethylsulfamoyl)-4-methoxy-N-[2-(p-tolylsulfanyl)ethyl]benzamide 3-(diethylsulfamoyl)-4-methoxy-N…

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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)	3.69	8.2	-21.29	1	6	0	76	436.599	10	↓ MOL2 SDF SMILES Flexibase

14803913

Analogs

8361282

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Popular Name: 4-(methoxy-methyl-sulfamoyl)-N-[2-(p-tolylsulfanyl)ethyl]benzamide 4-(methoxy-methyl-sulfamoyl)-N-[…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.91	6.47	-16.02	1	6	0	76	394.518	8	↓ MOL2 SDF SMILES Flexibase

14803965

Analogs

25154217

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Popular Name: 2-(2-dimethylamino-2-oxo-ethyl)sulfanyl-N-[2-(p-tolylsulfanyl)ethyl]benzamide 2-(2-dimethylamino-2-oxo-ethyl)s…

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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)	2.93	9.93	-21.06	1	4	0	49	388.558	8	↓ MOL2 SDF SMILES Flexibase

62819858

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Popular Name: 2-(ethylamino)-N-(2-phenylsulfanylethyl)benzamide 2-(ethylamino)-N-(2-phenylsulfan…

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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)	3.38	7.83	-9.15	2	3	0	41	300.427	7	↓ MOL2 SDF SMILES Flexibase

63010704

Analogs

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Popular Name: 3,4,5-trifluoro-N-(2-phenylsulfanylethyl)benzamide 3,4,5-trifluoro-N-(2-phenylsulfa…

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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)	3.54	8.02	-9.97	1	2	0	29	311.328	5	↓ MOL2 SDF SMILES Flexibase

42032925

Analogs

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Popular Name: 2-(methylamino)-N-(2-phenylsulfanylethyl)benzamide 2-(methylamino)-N-(2-phenylsulfa…

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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	7.01	-9.24	2	3	0	41	286.4	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 12846
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 12846 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=12846&filter.purchasability=annotated

Embed Link to Results

<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
        "ring.id": "12846"        

    });
</script>

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