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ZINC Item

Suppliers, Protomers, & Similar Substances

2801870

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(E)-[4-bromo-5-[(4-chlorophenyl)thio]-2-furyl]methyleneamino]thiourea [(E)-[4-bromo-5-[(4-chlorophenyl…

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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)	4.81	-4.22	-12.2	3	4	0	63	390.715	5	↓ MOL2 SDF SMILES Flexibase

4170771

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-methyl 2-((5-(p-tolylthio)furan-2-yl)methylene)hydrazinecarboxylate (E)-methyl 2-((5-(p-tolylthio)fu…

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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)	3.88	-0.19	-11.97	1	5	0	63	290.344	5	↓ MOL2 SDF SMILES Flexibase

69362438

Analogs

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Popular Name: 5-(4-cyanophenyl)sulfanylfuran-2-carboxylic 5-(4-cyanophenyl)sulfanylfuran-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)	2.78	6.5	-52.81	0	4	-1	77	244.251	3	↓ MOL2 SDF SMILES Flexibase

69362441

Analogs

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Popular Name: 5-(2-cyanophenyl)sulfanylfuran-2-carboxylic 5-(2-cyanophenyl)sulfanylfuran-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)	2.73	6.38	-56.93	0	4	-1	77	244.251	3	↓ MOL2 SDF SMILES Flexibase

69362443

Analogs

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Popular Name: 5-[2-(methylsulfamoyl)phenyl]sulfanylfuran-2-carboxylic 5-[2-(methylsulfamoyl)phenyl]sul…

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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)	2.04	2.3	-54.04	1	6	-1	99	312.348	5	↓ MOL2 SDF SMILES Flexibase

69362448

Analogs

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Popular Name: 5-[4-(methylsulfamoyl)phenyl]sulfanylfuran-2-carboxylic 5-[4-(methylsulfamoyl)phenyl]sul…

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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)	2.09	2.27	-54.11	1	6	-1	99	312.348	5	↓ MOL2 SDF SMILES Flexibase

69362469

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-bromo-2-nitro-phenyl)sulfanylfuran-2-carboxylic 5-(4-bromo-2-nitro-phenyl)sulfan…

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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)	3.72	7.24	-56.82	0	6	-1	99	343.134	4	↓ MOL2 SDF SMILES Flexibase

69362473

Analogs

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Popular Name: 5-(2-cyano-4-fluoro-phenyl)sulfanylfuran-2-carboxylic 5-(2-cyano-4-fluoro-phenyl)sulfa…

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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)	2.87	6.45	-54.51	0	4	-1	77	262.241	3	↓ MOL2 SDF SMILES Flexibase

69362482

Analogs

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Popular Name: 5-(2-chloro-4-cyano-phenyl)sulfanylfuran-2-carboxylic 5-(2-chloro-4-cyano-phenyl)sulfa…

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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	6.94	-53.26	0	4	-1	77	278.696	3	↓ MOL2 SDF SMILES Flexibase

69362485

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(2-bromo-4-nitro-phenyl)sulfanylfuran-2-carboxylic 5-(2-bromo-4-nitro-phenyl)sulfan…

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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)	3.72	7.35	-52.72	0	6	-1	99	343.134	4	↓ MOL2 SDF SMILES Flexibase

69362492

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-chloro-2-nitro-phenyl)sulfanylfuran-2-carboxylic 5-(4-chloro-2-nitro-phenyl)sulfa…

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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)	3.59	7.13	-57.02	0	6	-1	99	298.683	4	↓ MOL2 SDF SMILES Flexibase

69362502

Analogs

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Popular Name: 5-(4-sulfamoylphenyl)sulfanylfuran-2-carboxylic 5-(4-sulfamoylphenyl)sulfanylfur…

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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)	1.72	1.04	-60.66	2	6	-1	113	298.321	4	↓ MOL2 SDF SMILES Flexibase

69362503

Analogs

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Popular Name: 5-(4-propylsulfonylphenyl)sulfanylfuran-2-carboxylic 5-(4-propylsulfonylphenyl)sulfan…

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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	5.31	-54.68	0	5	-1	87	325.387	6	↓ MOL2 SDF SMILES Flexibase

69362506

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[4-(dimethylsulfamoyl)phenyl]sulfanylfuran-2-carboxylic 5-[4-(dimethylsulfamoyl)phenyl]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)	2.34	4.08	-53.93	0	6	-1	91	326.375	5	↓ MOL2 SDF SMILES Flexibase

69362513

Analogs

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Popular Name: 5-(4-acetyl-2-fluoro-phenyl)sulfanylfuran-2-carboxylic 5-(4-acetyl-2-fluoro-phenyl)sulf…

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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	6.56	-60.02	0	4	-1	70	279.268	4	↓ MOL2 SDF SMILES Flexibase

69362516

Analogs

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Popular Name: 5-(2-methyl-5-nitro-phenyl)sulfanylfuran-2-carboxylic 5-(2-methyl-5-nitro-phenyl)sulfa…

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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	7.37	-53.79	0	6	-1	99	278.265	4	↓ MOL2 SDF SMILES Flexibase

69362520

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(3-chloro-2-cyano-phenyl)sulfanylfuran-2-carboxylic 5-(3-chloro-2-cyano-phenyl)sulfa…

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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	6.8	-57.57	0	4	-1	77	278.696	3	↓ MOL2 SDF SMILES Flexibase

69362522

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(5-fluoro-2-nitro-phenyl)sulfanylfuran-2-carboxylic 5-(5-fluoro-2-nitro-phenyl)sulfa…

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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)	3.07	6.68	-55.82	0	6	-1	99	282.228	4	↓ MOL2 SDF SMILES Flexibase

69362529

Analogs

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Popular Name: 5-(3-ethoxy-4-nitro-phenyl)sulfanylfuran-2-carboxylic 5-(3-ethoxy-4-nitro-phenyl)sulfa…

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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)	3.34	7.8	-55.6	0	7	-1	108	308.291	6	↓ MOL2 SDF SMILES Flexibase

69362533

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-fluoro-5-methoxy-2-nitro-phenyl)sulfanylfuran-2-carboxylic 5-(4-fluoro-5-methoxy-2-nitro-ph…

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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	5.97	-56.71	0	7	-1	108	312.254	5	↓ MOL2 SDF SMILES Flexibase

69362553

Analogs

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Popular Name: 5-(4-fluoro-2-nitro-phenyl)sulfanylfuran-2-carboxylic 5-(4-fluoro-2-nitro-phenyl)sulfa…

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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)	3.07	6.67	-57.34	0	6	-1	99	282.228	4	↓ MOL2 SDF SMILES Flexibase

69362557

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(2-fluoro-4-nitro-phenyl)sulfanylfuran-2-carboxylic 5-(2-fluoro-4-nitro-phenyl)sulfa…

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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)	3.07	6.84	-53.87	0	6	-1	99	282.228	4	↓ MOL2 SDF SMILES Flexibase

69362559

Analogs

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Popular Name: 5-[4-cyano-3-(trifluoromethyl)phenyl]sulfanylfuran-2-carboxylic 5-[4-cyano-3-(trifluoromethyl)ph…

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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	7.28	-54.1	0	4	-1	77	312.248	4	↓ MOL2 SDF SMILES Flexibase

69362564

Analogs

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Popular Name: 5-(2-methyl-4-nitro-phenyl)sulfanylfuran-2-carboxylic 5-(2-methyl-4-nitro-phenyl)sulfa…

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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	7.37	-53.48	0	6	-1	99	278.265	4	↓ MOL2 SDF SMILES Flexibase

69362572

Analogs

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Popular Name: 5-[2-(ethylsulfamoyl)phenyl]sulfanylfuran-2-carboxylic 5-[2-(ethylsulfamoyl)phenyl]sulf…

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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)	2.42	2.15	-58.01	1	6	-1	99	326.375	6	↓ MOL2 SDF SMILES Flexibase

69362574

Analogs

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Popular Name: 5-[4-(difluoromethylsulfonyl)phenyl]sulfanylfuran-2-carboxylic 5-[4-(difluoromethylsulfonyl)phe…

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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)	2.45	4.01	-59.13	0	5	-1	87	333.313	5	↓ MOL2 SDF SMILES Flexibase

69362581

Analogs

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Popular Name: 5-(3-fluoro-5-nitro-phenyl)sulfanylfuran-2-carboxylic 5-(3-fluoro-5-nitro-phenyl)sulfa…

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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)	3.07	6.87	-52.1	0	6	-1	99	282.228	4	↓ MOL2 SDF SMILES Flexibase

69362582

Analogs

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Popular Name: 5-(2,4-dinitrophenyl)sulfanylfuran-2-carboxylic 5-(2,4-dinitrophenyl)sulfanylfur…

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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)	2.87	7.33	-57.83	0	9	-1	145	309.235	5	↓ MOL2 SDF SMILES Flexibase

69362587

Analogs

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Popular Name: 5-(2,3-difluoro-6-nitro-phenyl)sulfanylfuran-2-carboxylic 5-(2,3-difluoro-6-nitro-phenyl)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)	3.16	6.75	-55.73	0	6	-1	99	300.218	4	↓ MOL2 SDF SMILES Flexibase

69362591

Analogs

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Popular Name: 5-(4-chloro-2-cyano-phenyl)sulfanylfuran-2-carboxylic 5-(4-chloro-2-cyano-phenyl)sulfa…

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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	6.89	-54.24	0	4	-1	77	278.696	3	↓ MOL2 SDF SMILES Flexibase

69362594

Analogs

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Popular Name: 5-(4-methyl-3-nitro-phenyl)sulfanylfuran-2-carboxylic 5-(4-methyl-3-nitro-phenyl)sulfa…

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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	7.43	-55.49	0	6	-1	99	278.265	4	↓ MOL2 SDF SMILES Flexibase

69362598

Analogs

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Popular Name: 5-(5-chloro-2-cyano-phenyl)sulfanylfuran-2-carboxylic 5-(5-chloro-2-cyano-phenyl)sulfa…

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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	6.89	-53.81	0	4	-1	77	278.696	3	↓ MOL2 SDF SMILES Flexibase

69362606

Analogs

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Popular Name: 5-[2-(trifluoromethyl)phenyl]sulfanylfuran-2-carboxylic 5-[2-(trifluoromethyl)phenyl]sul…

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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	6.9	-55.6	0	3	-1	53	287.238	4	↓ MOL2 SDF SMILES Flexibase

69362629

Analogs

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Popular Name: 5-(2-cyano-4-nitro-phenyl)sulfanylfuran-2-carboxylic 5-(2-cyano-4-nitro-phenyl)sulfan…

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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	7.1	-55.26	0	7	-1	123	289.248	4	↓ MOL2 SDF SMILES Flexibase

69362654

Analogs

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Popular Name: 5-(4-cyano-2-fluoro-phenyl)sulfanylfuran-2-carboxylic 5-(4-cyano-2-fluoro-phenyl)sulfa…

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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)	2.87	6.53	-54.19	0	4	-1	77	262.241	3	↓ MOL2 SDF SMILES Flexibase

69362658

Analogs

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Popular Name: 5-(2-cyano-5-methyl-phenyl)sulfanylfuran-2-carboxylic 5-(2-cyano-5-methyl-phenyl)sulfa…

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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)	3.15	7.04	-56.35	0	4	-1	77	258.278	3	↓ MOL2 SDF SMILES Flexibase

69362662

Analogs

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Popular Name: 5-[4-(trifluoromethyl)phenyl]sulfanylfuran-2-carboxylic 5-[4-(trifluoromethyl)phenyl]sul…

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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)	3.92	7.1	-51.52	0	3	-1	53	287.238	4	↓ MOL2 SDF SMILES Flexibase

69362689

Analogs

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Popular Name: 5-[2-cyano-4-(trifluoromethyl)phenyl]sulfanylfuran-2-carboxylic 5-[2-cyano-4-(trifluoromethyl)ph…

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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	7.38	-54.36	0	4	-1	77	312.248	4	↓ MOL2 SDF SMILES Flexibase

69362692

Analogs

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Popular Name: 5-(4-methyl-2-nitro-phenyl)sulfanylfuran-2-carboxylic 5-(4-methyl-2-nitro-phenyl)sulfa…

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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	7.27	-59.79	0	6	-1	99	278.265	4	↓ MOL2 SDF SMILES Flexibase

69362695

Analogs

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Popular Name: 5-(4-carbamoyl-2-nitro-phenyl)sulfanylfuran-2-carboxylic 5-(4-carbamoyl-2-nitro-phenyl)su…

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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)	1.73	3.42	-66.74	2	8	-1	142	307.263	5	↓ MOL2 SDF SMILES Flexibase

69362697

Analogs

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Popular Name: 5-[4-(ethylsulfamoyl)phenyl]sulfanylfuran-2-carboxylic 5-[4-(ethylsulfamoyl)phenyl]sulf…

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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	3.11	-53.93	1	6	-1	99	326.375	6	↓ MOL2 SDF SMILES Flexibase

69362701

Analogs

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Popular Name: 5-[2-(dimethylsulfamoyl)phenyl]sulfanylfuran-2-carboxylic 5-[2-(dimethylsulfamoyl)phenyl]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)	2.29	3.61	-57.46	0	6	-1	91	326.375	5	↓ MOL2 SDF SMILES Flexibase

69362705

Analogs

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Popular Name: 5-(2-ethylsulfonylphenyl)sulfanylfuran-2-carboxylic 5-(2-ethylsulfonylphenyl)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)	2.66	4.31	-57.99	0	5	-1	87	311.36	5	↓ MOL2 SDF SMILES Flexibase

69362708

Analogs

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Popular Name: 5-(2-propylsulfonylphenyl)sulfanylfuran-2-carboxylic 5-(2-propylsulfonylphenyl)sulfan…

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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)	3.16	5.1	-57.67	0	5	-1	87	325.387	6	↓ MOL2 SDF SMILES Flexibase

69362733

Analogs

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Popular Name: 5-(2-methyl-3-nitro-phenyl)sulfanylfuran-2-carboxylic 5-(2-methyl-3-nitro-phenyl)sulfa…

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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	7.31	-57.8	0	6	-1	99	278.265	4	↓ MOL2 SDF SMILES Flexibase

69362749

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(2,3,4,5,6-pentafluorophenyl)sulfanylfuran-2-carboxylic 5-(2,3,4,5,6-pentafluorophenyl)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)	3.55	6.36	-48.51	0	3	-1	53	309.191	3	↓ MOL2 SDF SMILES Flexibase

69362755

Analogs

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Popular Name: 5-(3-methyl-4-nitro-phenyl)sulfanylfuran-2-carboxylic 5-(3-methyl-4-nitro-phenyl)sulfa…

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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	7.41	-53.19	0	6	-1	99	278.265	4	↓ MOL2 SDF SMILES Flexibase

69362758

Analogs

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Popular Name: 5-(4-ethylsulfonylphenyl)sulfanylfuran-2-carboxylic 5-(4-ethylsulfonylphenyl)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)	2.27	4.51	-54.88	0	5	-1	87	311.36	5	↓ MOL2 SDF SMILES Flexibase

69362769

Analogs

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Popular Name: 5-(4-acetylphenyl)sulfanylfuran-2-carboxylic 5-(4-acetylphenyl)sulfanylfuran-…

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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)	2.92	6.52	-56.16	0	4	-1	70	261.278	4	↓ MOL2 SDF SMILES Flexibase

69362778

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(3-methoxy-4-nitro-phenyl)sulfanylfuran-2-carboxylic 5-(3-methoxy-4-nitro-phenyl)sulf…

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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)	2.96	6.88	-55.71	0	7	-1	108	294.264	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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