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ZINC Item

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14220981

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-N-[(1R)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]thiophene-2-sulfonamide 5-bromo-N-[(1R)-1-[(2S)-tetrahyd…

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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)	2.59	2.1	-7.43	1	4	0	55	340.264	4	↓ MOL2 SDF SMILES Flexibase

14220983

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-N-[(1S)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]thiophene-2-sulfonamide 5-bromo-N-[(1S)-1-[(2S)-tetrahyd…

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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)	2.59	2.41	-7.47	1	4	0	55	340.264	4	↓ MOL2 SDF SMILES Flexibase

14220984

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-N-[(1R)-1-[(2R)-tetrahydrofuran-2-yl]ethyl]thiophene-2-sulfonamide 5-bromo-N-[(1R)-1-[(2R)-tetrahyd…

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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)	2.59	2.41	-6.82	1	4	0	55	340.264	4	↓ MOL2 SDF SMILES Flexibase

14220986

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-N-[(1S)-1-[(2R)-tetrahydrofuran-2-yl]ethyl]thiophene-2-sulfonamide 5-bromo-N-[(1S)-1-[(2R)-tetrahyd…

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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)	2.59	2.17	-7.73	1	4	0	55	340.264	4	↓ MOL2 SDF SMILES Flexibase

48949254

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-5-[methyl-[[(2S)-tetrahydrofuran-2-yl]methyl]sulfamoyl]thiophene-2-carboxylic 3-methyl-5-[methyl-[[(2S)-tetrah…

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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)	1.76	4.03	-48.66	0	6	-1	87	318.396	5	↓ MOL2 SDF SMILES Flexibase

48949256

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-5-[methyl-[[(2R)-tetrahydrofuran-2-yl]methyl]sulfamoyl]thiophene-2-carboxylic 3-methyl-5-[methyl-[[(2R)-tetrah…

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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)	1.76	4.41	-50.19	0	6	-1	87	318.396	5	↓ MOL2 SDF SMILES Flexibase

48949306

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-[methyl-[[(2S)-tetrahydrofuran-2-yl]methyl]sulfamoyl]-2-thienyl]acetic 2-[5-[methyl-[[(2S)-tetrahydrofu…

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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)	1.24	5.2	-51.33	0	6	-1	87	318.396	6	↓ MOL2 SDF SMILES Flexibase

48949308

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-[methyl-[[(2R)-tetrahydrofuran-2-yl]methyl]sulfamoyl]-2-thienyl]acetic 2-[5-[methyl-[[(2R)-tetrahydrofu…

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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)	1.24	4.37	-48.44	0	6	-1	87	318.396	6	↓ MOL2 SDF SMILES Flexibase

48949310

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[methyl-[[(2S)-tetrahydrofuran-2-yl]methyl]sulfamoyl]thiophene-3-carboxylic 5-[methyl-[[(2S)-tetrahydrofuran…

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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)	1.07	4.23	-54.02	0	6	-1	87	304.369	5	↓ MOL2 SDF SMILES Flexibase

48949312

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[methyl-[[(2R)-tetrahydrofuran-2-yl]methyl]sulfamoyl]thiophene-3-carboxylic 5-[methyl-[[(2R)-tetrahydrofuran…

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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)	1.07	3.39	-50.15	0	6	-1	87	304.369	5	↓ MOL2 SDF SMILES Flexibase

48949407

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[methyl-[[(2S)-tetrahydrofuran-2-yl]methyl]sulfamoyl]thiophene-2-carboxylic 5-[methyl-[[(2S)-tetrahydrofuran…

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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)	1.38	4.38	-49.46	0	6	-1	87	304.369	5	↓ MOL2 SDF SMILES Flexibase

48949409

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[methyl-[[(2R)-tetrahydrofuran-2-yl]methyl]sulfamoyl]thiophene-2-carboxylic 5-[methyl-[[(2R)-tetrahydrofuran…

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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)	1.38	3.54	-46.96	0	6	-1	87	304.369	5	↓ MOL2 SDF SMILES Flexibase

48950659

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(2-aminoethyl)-N-methyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]thiophene-2-sulfonamide 5-(2-aminoethyl)-N-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)	0.80	2.64	-59.43	3	5	1	74	305.445	6	↓ MOL2 SDF SMILES Flexibase

48950661

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(2-aminoethyl)-N-methyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]thiophene-2-sulfonamide 5-(2-aminoethyl)-N-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)	0.80	1.81	-57.84	3	5	1	74	305.445	6	↓ MOL2 SDF SMILES Flexibase

48964598

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[ethyl-[[(2S)-tetrahydrofuran-2-yl]methyl]sulfamoyl]-3-methyl-thiophene-2-carboxylic 5-[ethyl-[[(2S)-tetrahydrofuran-…

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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)	2.14	5.75	-50.31	0	6	-1	87	332.423	6	↓ MOL2 SDF SMILES Flexibase

48964602

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[ethyl-[[(2R)-tetrahydrofuran-2-yl]methyl]sulfamoyl]-3-methyl-thiophene-2-carboxylic 5-[ethyl-[[(2R)-tetrahydrofuran-…

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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)	2.14	4.92	-47.53	0	6	-1	87	332.423	6	↓ MOL2 SDF SMILES Flexibase

48964642

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-[ethyl-[[(2S)-tetrahydrofuran-2-yl]methyl]sulfamoyl]-2-thienyl]acetic 2-[5-[ethyl-[[(2S)-tetrahydrofur…

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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)	1.61	6.04	-51.52	0	6	-1	87	332.423	7	↓ MOL2 SDF SMILES Flexibase

48964645

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-[ethyl-[[(2R)-tetrahydrofuran-2-yl]methyl]sulfamoyl]-2-thienyl]acetic 2-[5-[ethyl-[[(2R)-tetrahydrofur…

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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)	1.61	5.22	-48.38	0	6	-1	87	332.423	7	↓ MOL2 SDF SMILES Flexibase

48964651

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[ethyl-[[(2S)-tetrahydrofuran-2-yl]methyl]sulfamoyl]thiophene-3-carboxylic 5-[ethyl-[[(2S)-tetrahydrofuran-…

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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)	1.45	5.07	-54.02	0	6	-1	87	318.396	6	↓ MOL2 SDF SMILES Flexibase

48964654

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[ethyl-[[(2R)-tetrahydrofuran-2-yl]methyl]sulfamoyl]thiophene-3-carboxylic 5-[ethyl-[[(2R)-tetrahydrofuran-…

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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)	1.45	4.24	-50.04	0	6	-1	87	318.396	6	↓ MOL2 SDF SMILES Flexibase

48967324

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(aminomethyl)-N-ethyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]thiophene-2-sulfonamide 5-(aminomethyl)-N-ethyl-N-[[(2S)…

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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)	1.37	2.71	-58.33	3	5	1	74	305.445	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.37	2.32	-12.7	2	5	0	73	304.437	6	↓ MOL2 SDF SMILES Flexibase

48967327

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(aminomethyl)-N-ethyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]thiophene-2-sulfonamide 5-(aminomethyl)-N-ethyl-N-[[(2R)…

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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)	1.37	1.89	-57.08	3	5	1	74	305.445	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.37	1.5	-10.62	2	5	0	73	304.437	6	↓ MOL2 SDF SMILES Flexibase

48967330

Analogs

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Popular Name: 5-(2-aminoethyl)-N-ethyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]thiophene-2-sulfonamide 5-(2-aminoethyl)-N-ethyl-N-[[(2S…

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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)	1.17	3.48	-59.22	3	5	1	74	319.472	7	↓ MOL2 SDF SMILES Flexibase

48967333

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(2-aminoethyl)-N-ethyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]thiophene-2-sulfonamide 5-(2-aminoethyl)-N-ethyl-N-[[(2R…

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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)	1.17	2.66	-57.69	3	5	1	74	319.472	7	↓ MOL2 SDF SMILES Flexibase

37238659

Analogs

42818028
42818032

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-5-[[(2S)-tetrahydrofuran-2-yl]methylsulfamoyl]thiophene-2-carboxylic 3-methyl-5-[[(2S)-tetrahydrofura…

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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)	1.52	2.07	-46.7	1	6	-1	96	304.369	5	↓ MOL2 SDF SMILES Flexibase

37238662

Analogs

42818028
42818032

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-5-[[(2R)-tetrahydrofuran-2-yl]methylsulfamoyl]thiophene-2-carboxylic 3-methyl-5-[[(2R)-tetrahydrofura…

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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)	1.52	2.06	-47	1	6	-1	96	304.369	5	↓ MOL2 SDF SMILES Flexibase

42463533

Analogs

60061855
60061856
60066184
60066185
42433838

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-methyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]thiophene-2-sulfonamide 4-amino-N-methyl-N-[[(2S)-tetrah…

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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)	0.98	1.51	-11.88	2	5	0	73	276.383	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.98	1.36	-57.43	3	5	1	74	277.391	4	↓ MOL2 SDF SMILES Flexibase

42463534

Analogs

60061855
60061856
60066184
60066185
42433838

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-methyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]thiophene-2-sulfonamide 4-amino-N-methyl-N-[[(2R)-tetrah…

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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)	0.98	0.67	-9.83	2	5	0	73	276.383	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.98	0.52	-56.94	3	5	1	74	277.391	4	↓ MOL2 SDF SMILES Flexibase

42466730

Analogs

36770622
36770621
36929390
36929391
36929394

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(aminomethyl)-N-methyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]thiophene-2-sulfonamide 5-(aminomethyl)-N-methyl-N-[[(2S…

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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)	1.00	1.87	-58.53	3	5	1	74	291.418	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.00	1.48	-12.2	2	5	0	73	290.41	5	↓ MOL2 SDF SMILES Flexibase

42466732

Analogs

36770622
36770621
36929390
36929391
36929394

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(aminomethyl)-N-methyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]thiophene-2-sulfonamide 5-(aminomethyl)-N-methyl-N-[[(2R…

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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)	1.00	1.04	-57.17	3	5	1	74	291.418	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.00	0.65	-10.06	2	5	0	73	290.41	5	↓ MOL2 SDF SMILES Flexibase

42467493

Analogs

60061855
60061856
60066184
60066185
42433839

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-ethyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]thiophene-2-sulfonamide 4-amino-N-ethyl-N-[[(2S)-tetrahy…

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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)	1.36	2.34	-11.69	2	5	0	73	290.41	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.36	2.19	-57.37	3	5	1	74	291.418	5	↓ MOL2 SDF SMILES Flexibase

42467495

Analogs

60061855
60061856
60066184
60066185
42433839

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-ethyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]thiophene-2-sulfonamide 4-amino-N-ethyl-N-[[(2R)-tetrahy…

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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)	1.36	1.52	-9.56	2	5	0	73	290.41	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.36	1.37	-56.96	3	5	1	74	291.418	5	↓ MOL2 SDF SMILES Flexibase

42472336

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Popular Name: 5-bromo-N-ethyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]thiophene-2-sulfonamide 5-bromo-N-ethyl-N-[[(2S)-tetrahy…

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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	5.22	-10.06	0	4	0	47	354.291	5	↓ MOL2 SDF SMILES Flexibase

42472339

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-N-ethyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]thiophene-2-sulfonamide 5-bromo-N-ethyl-N-[[(2R)-tetrahy…

Find On: PubMed — Wikipedia — Google

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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	4.4	-8.13	0	4	0	47	354.291	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 232474
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 = 232474 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=232474&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": "232474"        

    });
</script>

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