ZINC 12

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.23	3.49	-8.09	1	3	0	46	265.787	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.23	3.1	-37.12	0	3	-1	48	264.779	4	↓ MOL2 SDF SMILES Flexibase

32473414

Analogs

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Popular Name: 5-chloro-N-[[(1S,2S)-2-methylcyclopropyl]methyl]thiophene-2-sulfonamide 5-chloro-N-[[(1S,2S)-2-methylcyc…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.23	3.56	-8.08	1	3	0	46	265.787	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.23	3.17	-36.69	0	3	-1	48	264.779	4	↓ MOL2 SDF SMILES Flexibase

32473418

Analogs

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Popular Name: 5-chloro-N-[[(1R,2R)-2-methylcyclopropyl]methyl]thiophene-2-sulfonamide 5-chloro-N-[[(1R,2R)-2-methylcyc…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.23	3.52	-8.41	1	3	0	46	265.787	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.23	3.16	-36.51	0	3	-1	48	264.779	4	↓ MOL2 SDF SMILES Flexibase

32473420

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-N-[[(1R,2S)-2-methylcyclopropyl]methyl]thiophene-2-sulfonamide 5-chloro-N-[[(1R,2S)-2-methylcyc…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.23	3.46	-8.57	1	3	0	46	265.787	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.23	3.09	-37	0	3	-1	48	264.779	4	↓ MOL2 SDF SMILES Flexibase

32473756

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[[(1S,2R)-2-methylcyclopropyl]methylsulfamoyl]-2-thienyl]methyl]acetamide N-[[5-[[(1S,2R)-2-methylcyclopro…

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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)	1.59	2.02	-14.56	2	5	0	75	302.421	6	↓ MOL2 SDF SMILES Flexibase

32473758

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[[(1S,2S)-2-methylcyclopropyl]methylsulfamoyl]-2-thienyl]methyl]acetamide N-[[5-[[(1S,2S)-2-methylcyclopro…

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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)	1.59	2.1	-14.52	2	5	0	75	302.421	6	↓ MOL2 SDF SMILES Flexibase

32473761

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[[(1R,2R)-2-methylcyclopropyl]methylsulfamoyl]-2-thienyl]methyl]acetamide N-[[5-[[(1R,2R)-2-methylcyclopro…

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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)	1.59	2.05	-14.81	2	5	0	75	302.421	6	↓ MOL2 SDF SMILES Flexibase

32473764

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[[(1R,2S)-2-methylcyclopropyl]methylsulfamoyl]-2-thienyl]methyl]acetamide N-[[5-[[(1R,2S)-2-methylcyclopro…

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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)	1.59	1.99	-14.98	2	5	0	75	302.421	6	↓ MOL2 SDF SMILES Flexibase

32473767

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methyl-N-[[(1S,2R)-2-methylcyclopropyl]methyl]thiophene-2-sulfonamide 5-methyl-N-[[(1S,2R)-2-methylcyc…

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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)	2.65	3.7	-9.89	1	3	0	46	245.369	4	↓ MOL2 SDF SMILES Flexibase

32473770

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methyl-N-[[(1S,2S)-2-methylcyclopropyl]methyl]thiophene-2-sulfonamide 5-methyl-N-[[(1S,2S)-2-methylcyc…

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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)	2.65	3.76	-9.89	1	3	0	46	245.369	4	↓ MOL2 SDF SMILES Flexibase

32473773

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methyl-N-[[(1R,2R)-2-methylcyclopropyl]methyl]thiophene-2-sulfonamide 5-methyl-N-[[(1R,2R)-2-methylcyc…

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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)	2.65	3.72	-10.01	1	3	0	46	245.369	4	↓ MOL2 SDF SMILES Flexibase

32473776

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methyl-N-[[(1R,2S)-2-methylcyclopropyl]methyl]thiophene-2-sulfonamide 5-methyl-N-[[(1R,2S)-2-methylcyc…

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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)	2.65	3.67	-10.22	1	3	0	46	245.369	4	↓ MOL2 SDF SMILES Flexibase

69237422

Analogs

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Popular Name: 5-[cyclopropylmethyl(ethyl)sulfamoyl]-3-methyl-thiophene-2-carboxylic 5-[cyclopropylmethyl(ethyl)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)	2.63	6.04	-46.73	0	5	-1	78	302.397	6	↓ MOL2 SDF SMILES Flexibase

69237556

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[cyclopropylmethyl(ethyl)sulfamoyl]thiophene-2-carboxylic 5-[cyclopropylmethyl(ethyl)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)	2.26	5.47	-46.29	0	5	-1	78	288.37	6	↓ MOL2 SDF SMILES Flexibase

69237564

Analogs

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Popular Name: 2-[5-[cyclopropylmethyl(ethyl)sulfamoyl]-2-thienyl]acetic 2-[5-[cyclopropylmethyl(ethyl)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)	2.11	6.33	-47.57	0	5	-1	78	302.397	7	↓ MOL2 SDF SMILES Flexibase

69237603

Analogs

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Popular Name: 5-[cyclopropylmethyl(ethyl)sulfamoyl]thiophene-3-carboxylic 5-[cyclopropylmethyl(ethyl)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)	1.94	5.35	-50.67	0	5	-1	78	288.37	6	↓ MOL2 SDF SMILES Flexibase

69238936

Analogs

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Popular Name: 5-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-thiophene-2-sulfonamide 5-(aminomethyl)-N-(cyclopropylme…

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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)	1.87	3.01	-55.88	3	4	1	65	275.419	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.87	2.61	-9.51	2	4	0	63	274.411	6	↓ MOL2 SDF SMILES Flexibase

69238938

Analogs

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Popular Name: 5-(2-aminoethyl)-N-(cyclopropylmethyl)-N-ethyl-thiophene-2-sulfonamide 5-(2-aminoethyl)-N-(cyclopropylm…

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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)	1.67	3.78	-56.58	3	4	1	65	289.446	7	↓ MOL2 SDF SMILES Flexibase

69263493

Analogs

42258628

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-N-(cyclopropylmethyl)-N-ethyl-thiophene-2-sulfonamide 5-bromo-N-(cyclopropylmethyl)-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)	3.38	5.52	-7.1	0	3	0	37	324.265	5	↓ MOL2 SDF SMILES Flexibase

69263509

Analogs

42350803
42351262

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Popular Name: 3-bromo-N-(cyclopropylmethyl)-N-ethyl-thiophene-2-sulfonamide 3-bromo-N-(cyclopropylmethyl)-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)	3.18	5.26	-11.33	0	3	0	37	324.265	5	↓ MOL2 SDF SMILES Flexibase

49239355

Analogs

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Popular Name: N-[2-[5-[[(1S,2R)-2-methylcyclopropyl]methylsulfamoyl]-2-thienyl]ethyl]acetamide N-[2-[5-[[(1S,2R)-2-methylcyclop…

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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)	2.00	2.6	-16.68	2	5	0	75	316.448	7	↓ MOL2 SDF SMILES Flexibase

49239357

Analogs

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Popular Name: N-[2-[5-[[(1S,2S)-2-methylcyclopropyl]methylsulfamoyl]-2-thienyl]ethyl]acetamide N-[2-[5-[[(1S,2S)-2-methylcyclop…

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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)	2.00	2.68	-16.72	2	5	0	75	316.448	7	↓ MOL2 SDF SMILES Flexibase

49239359

Analogs

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Popular Name: N-[2-[5-[[(1R,2R)-2-methylcyclopropyl]methylsulfamoyl]-2-thienyl]ethyl]acetamide N-[2-[5-[[(1R,2R)-2-methylcyclop…

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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)	2.00	2.69	-16.84	2	5	0	75	316.448	7	↓ MOL2 SDF SMILES Flexibase

49239361

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[5-[[(1R,2S)-2-methylcyclopropyl]methylsulfamoyl]-2-thienyl]ethyl]acetamide N-[2-[5-[[(1R,2S)-2-methylcyclop…

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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)	2.00	2.62	-16.84	2	5	0	75	316.448	7	↓ MOL2 SDF SMILES Flexibase

49239502

Analogs

34653268

Draw Identity 99% 90% 80% 70%

Popular Name: 5-ethyl-N-[[(1R,2S)-2-methylcyclopropyl]methyl]thiophene-2-sulfonamide 5-ethyl-N-[[(1R,2S)-2-methylcycl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.23	4.26	-8.48	1	3	0	46	259.396	5	↓ MOL2 SDF SMILES Flexibase

49239504

Analogs

34653268

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Popular Name: 5-ethyl-N-[[(1S,2S)-2-methylcyclopropyl]methyl]thiophene-2-sulfonamide 5-ethyl-N-[[(1S,2S)-2-methylcycl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.23	4.33	-8.3	1	3	0	46	259.396	5	↓ MOL2 SDF SMILES Flexibase

49239506

Analogs

34653268

Draw Identity 99% 90% 80% 70%

Popular Name: 5-ethyl-N-[[(1R,2R)-2-methylcyclopropyl]methyl]thiophene-2-sulfonamide 5-ethyl-N-[[(1R,2R)-2-methylcycl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.23	4.33	-8.38	1	3	0	46	259.396	5	↓ MOL2 SDF SMILES Flexibase

49239507

Analogs

34653268

Draw Identity 99% 90% 80% 70%

Popular Name: 5-ethyl-N-[[(1S,2R)-2-methylcyclopropyl]methyl]thiophene-2-sulfonamide 5-ethyl-N-[[(1S,2R)-2-methylcycl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.23	4.26	-8.33	1	3	0	46	259.396	5	↓ MOL2 SDF SMILES Flexibase

49240331

Analogs

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Popular Name: N-[[5-[cyclopropylmethyl(methyl)sulfamoyl]-2-thienyl]methyl]acetamide N-[[5-[cyclopropylmethyl(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)	1.23	3.14	-12.17	1	5	0	66	302.421	6	↓ MOL2 SDF SMILES Flexibase

37238625

Analogs

44518214
44659081
45630019
45630021
45700192

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Popular Name: 5-(cyclopropylmethylsulfamoyl)-3-methyl-thiophene-2-carboxylic 5-(cyclopropylmethylsulfamoyl)-3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.01	3.33	-45.93	1	5	-1	86	274.343	5	↓ MOL2 SDF SMILES Flexibase

49358437

Analogs

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Popular Name: N-[(1S)-1-cyclopropylethyl]-5-methyl-thiophene-2-sulfonamide N-[(1S)-1-cyclopropylethyl]-5-me…

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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)	2.38	3.34	-8.57	1	3	0	46	245.369	4	↓ MOL2 SDF SMILES Flexibase

49358441

Analogs

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Popular Name: N-[(1R)-1-cyclopropylethyl]-5-methyl-thiophene-2-sulfonamide N-[(1R)-1-cyclopropylethyl]-5-me…

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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)	2.38	3.29	-8.74	1	3	0	46	245.369	4	↓ MOL2 SDF SMILES Flexibase

37837475

Analogs

35207488
35207489

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Popular Name: 5-[[(1S)-1-cyclopropylethyl]-(2-methoxyethyl)sulfamoyl]thiophene-3-carboxylic 5-[[(1S)-1-cyclopropylethyl]-(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)	1.88	5.6	-53.72	0	6	-1	87	332.423	8	↓ MOL2 SDF SMILES Flexibase

37837476

Analogs

35207488
35207489

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(1R)-1-cyclopropylethyl]-(2-methoxyethyl)sulfamoyl]thiophene-3-carboxylic 5-[[(1R)-1-cyclopropylethyl]-(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)	1.88	5.83	-54.86	0	6	-1	87	332.423	8	↓ MOL2 SDF SMILES Flexibase

37837712

Analogs

37239108
37239110

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Popular Name: 5-[cyclopropylmethyl(methyl)sulfamoyl]-3-methyl-thiophene-2-carboxylic 5-[cyclopropylmethyl(methyl)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)	2.26	5.21	-46.54	0	5	-1	78	288.37	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 12409
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 = 12409 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=12409&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": "12409"        

    });
</script>

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