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ZINC Item

Suppliers, Protomers, & Similar Substances

20003938

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-(cyclohexyl-methyl-sulfamoyl)-2-thienyl]acetic 2-[5-(cyclohexyl-methyl-sulfamoy…

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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	5.45	-48.68	0	5	-1	78	316.424	5	↓ MOL2 SDF SMILES Flexibase

36880739

Analogs

7376007

Draw Identity 99% 90% 80% 70%

Popular Name: N-((1r,4r)-4-aminocyclohexyl)thiophene-2-sulfonamide hydrochloride N-((1r,4r)-4-aminocyclohexyl)thi…

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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)	0.75	0.44	-52.77	4	4	1	74	261.392	3	↓ MOL2 SDF SMILES Flexibase

36880740

Analogs

2602247

Draw Identity 99% 90% 80% 70%

Popular Name: N-((1r,4r)-4-aminocyclohexyl)-5-bromothiophene-2-sulfonamide hydrochloride N-((1r,4r)-4-aminocyclohexyl)-5-…

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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)	1.68	1.03	-50.72	4	4	1	74	340.288	3	↓ MOL2 SDF SMILES Flexibase

36880741

Analogs

16093188

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-aminocyclohexyl)-5-chloro-thiophene-2-sulfonamide N-(4-aminocyclohexyl)-5-chloro-t…

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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)	1.55	0.93	-50.73	4	4	1	74	295.837	3	↓ MOL2 SDF SMILES Flexibase

36880753

Analogs

48436674
48959798
32549365
26875539
26875534

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-aminocyclohexyl)-5-methyl-thiophene-2-sulfonamide N-(4-aminocyclohexyl)-5-methyl-t…

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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)	0.97	1.13	-52.23	4	4	1	74	275.419	3	↓ MOL2 SDF SMILES Flexibase

36880787

Analogs

48959793
49336339
7376007
241699

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(methylamino)cyclohexyl]thiophene-2-sulfonamide N-[4-(methylamino)cyclohexyl]thi…

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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)	1.66	2.21	-46.32	3	4	1	63	275.419	4	↓ MOL2 SDF SMILES Flexibase

36880788

Analogs

2602247

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-N-[4-(methylamino)cyclohexyl]thiophene-2-sulfonamide 5-bromo-N-[4-(methylamino)cycloh…

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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	2.94	-45.69	3	4	1	63	354.315	4	↓ MOL2 SDF SMILES Flexibase

36880789

Analogs

16093188
470948

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-N-[4-(methylamino)cyclohexyl]thiophene-2-sulfonamide 5-chloro-N-[4-(methylamino)cyclo…

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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)	2.46	2.84	-45.67	3	4	1	63	309.864	4	↓ MOL2 SDF SMILES Flexibase

36880797

Analogs

48436674
48959798
32929524
32929525
32549365

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methyl-N-[4-(methylamino)cyclohexyl]thiophene-2-sulfonamide 5-methyl-N-[4-(methylamino)cyclo…

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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	2.75	-47.55	3	4	1	63	289.446	4	↓ MOL2 SDF SMILES Flexibase

36880830

Analogs

7376007
241699

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(ethylamino)cyclohexyl]thiophene-2-sulfonamide N-[4-(ethylamino)cyclohexyl]thio…

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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)	2.03	2.76	-46.63	3	4	1	63	289.446	5	↓ MOL2 SDF SMILES Flexibase

36880831

Analogs

49509157
49509348
2602247

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-N-[4-(ethylamino)cyclohexyl]thiophene-2-sulfonamide 5-bromo-N-[4-(ethylamino)cyclohe…

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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)	2.97	3.49	-45.04	3	4	1	63	368.342	5	↓ MOL2 SDF SMILES Flexibase

36880832

Analogs

16093188
470948

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-N-[4-(ethylamino)cyclohexyl]thiophene-2-sulfonamide 5-chloro-N-[4-(ethylamino)cycloh…

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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)	2.84	3.39	-45.04	3	4	1	63	323.891	5	↓ MOL2 SDF SMILES Flexibase

36880839

Analogs

48436674
48959798
32929525
32929524
23127612

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(ethylamino)cyclohexyl]-5-methyl-thiophene-2-sulfonamide N-[4-(ethylamino)cyclohexyl]-5-m…

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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)	2.25	3.6	-46.5	3	4	1	63	303.473	5	↓ MOL2 SDF SMILES Flexibase

36880870

Analogs

7376007
23127588
241699

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(propylamino)cyclohexyl]thiophene-2-sulfonamide N-[4-(propylamino)cyclohexyl]thi…

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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)	2.54	3.83	-46.25	3	4	1	63	303.473	6	↓ MOL2 SDF SMILES Flexibase

36880871

Analogs

49509157
49509348
2602247

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-N-[4-(propylamino)cyclohexyl]thiophene-2-sulfonamide 5-bromo-N-[4-(propylamino)cycloh…

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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)	3.47	4.56	-45.71	3	4	1	63	382.369	6	↓ MOL2 SDF SMILES Flexibase

36880872

Analogs

41572434
16093188
22999906
470948

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-N-[4-(propylamino)cyclohexyl]thiophene-2-sulfonamide 5-chloro-N-[4-(propylamino)cyclo…

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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	4.46	-45.62	3	4	1	63	337.918	6	↓ MOL2 SDF SMILES Flexibase

36880874

Analogs

48436674
48959798
32929524
32929525
23127612

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methyl-N-[4-(propylamino)cyclohexyl]thiophene-2-sulfonamide 5-methyl-N-[4-(propylamino)cyclo…

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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)	2.76	4.66	-46.2	3	4	1	63	317.5	6	↓ MOL2 SDF SMILES Flexibase

13674305

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-thiophene-2-sulfonamide 5-bromo-N-[(1R,2R)-2-hydroxycycl…

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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)	2.89	2.16	-7.94	1	4	0	58	354.291	3	↓ MOL2 SDF SMILES Flexibase

14251881

Analogs

7213543

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-N-(4-ethylcyclohexyl)thiophene-2-sulfonamide 5-bromo-N-(4-ethylcyclohexyl)thi…

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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)	4.25	5.27	-6.74	1	3	0	46	352.319	4	↓ MOL2 SDF SMILES Flexibase

70110819

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(1S,2R,4R)-2,4-dimethylcyclohexyl]thiophene-2-sulfonamide 4-amino-N-[(1S,2R,4R)-2,4-dimeth…

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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)	2.52	2.44	-7.94	3	4	0	72	288.438	3	↓ MOL2 SDF SMILES Flexibase

70110820

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(1S,2R,4S)-2,4-dimethylcyclohexyl]thiophene-2-sulfonamide 4-amino-N-[(1S,2R,4S)-2,4-dimeth…

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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)	2.52	1.97	-8.07	3	4	0	72	288.438	3	↓ MOL2 SDF SMILES Flexibase

70110821

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(1R,2R,4R)-2,4-dimethylcyclohexyl]thiophene-2-sulfonamide 4-amino-N-[(1R,2R,4R)-2,4-dimeth…

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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)	2.52	2.12	-8.05	3	4	0	72	288.438	3	↓ MOL2 SDF SMILES Flexibase

70110822

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(1R,2R,4S)-2,4-dimethylcyclohexyl]thiophene-2-sulfonamide 4-amino-N-[(1R,2R,4S)-2,4-dimeth…

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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)	2.52	1.9	-8.05	3	4	0	72	288.438	3	↓ MOL2 SDF SMILES Flexibase

70112675

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(1R,2S,4S)-2,4-dimethylcyclohexyl]sulfamoyl]-3-methyl-thiophene-2-carboxylic 5-[[(1R,2S,4S)-2,4-dimethylcyclo…

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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)	3.29	5.79	-45.87	1	5	-1	86	330.451	4	↓ MOL2 SDF SMILES Flexibase

70112676

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(1S,2S,4S)-2,4-dimethylcyclohexyl]sulfamoyl]-3-methyl-thiophene-2-carboxylic 5-[[(1S,2S,4S)-2,4-dimethylcyclo…

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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)	3.29	5.64	-46.6	1	5	-1	86	330.451	4	↓ MOL2 SDF SMILES Flexibase

70112677

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(1R,2S,4R)-2,4-dimethylcyclohexyl]sulfamoyl]-3-methyl-thiophene-2-carboxylic 5-[[(1R,2S,4R)-2,4-dimethylcyclo…

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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)	3.29	5.31	-46.35	1	5	-1	86	330.451	4	↓ MOL2 SDF SMILES Flexibase

70112678

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(1S,2S,4R)-2,4-dimethylcyclohexyl]sulfamoyl]-3-methyl-thiophene-2-carboxylic 5-[[(1S,2S,4R)-2,4-dimethylcyclo…

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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)	3.29	5.42	-46.51	1	5	-1	86	330.451	4	↓ MOL2 SDF SMILES Flexibase

70112707

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(1S,2R,4R)-2,4-dimethylcyclohexyl]sulfamoyl]thiophene-2-carboxylic 5-[[(1S,2R,4R)-2,4-dimethylcyclo…

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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	5.31	-45.45	1	5	-1	86	316.424	4	↓ MOL2 SDF SMILES Flexibase

70112708

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(1S,2R,4S)-2,4-dimethylcyclohexyl]sulfamoyl]thiophene-2-carboxylic 5-[[(1S,2R,4S)-2,4-dimethylcyclo…

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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	4.84	-45.84	1	5	-1	86	316.424	4	↓ MOL2 SDF SMILES Flexibase

70112709

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(1R,2R,4R)-2,4-dimethylcyclohexyl]sulfamoyl]thiophene-2-carboxylic 5-[[(1R,2R,4R)-2,4-dimethylcyclo…

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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	4.98	-46.18	1	5	-1	86	316.424	4	↓ MOL2 SDF SMILES Flexibase

70112710

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(1R,2R,4S)-2,4-dimethylcyclohexyl]sulfamoyl]thiophene-2-carboxylic 5-[[(1R,2R,4S)-2,4-dimethylcyclo…

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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	4.76	-46.14	1	5	-1	86	316.424	4	↓ MOL2 SDF SMILES Flexibase

70112751

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-[[(1S,2R,4R)-2,4-dimethylcyclohexyl]sulfamoyl]-2-thienyl]acetic 2-[5-[[(1S,2R,4R)-2,4-dimethylcy…

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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	6.14	-46.38	1	5	-1	86	330.451	5	↓ MOL2 SDF SMILES Flexibase

70112752

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-[[(1S,2R,4S)-2,4-dimethylcyclohexyl]sulfamoyl]-2-thienyl]acetic 2-[5-[[(1S,2R,4S)-2,4-dimethylcy…

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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	5.66	-46.77	1	5	-1	86	330.451	5	↓ MOL2 SDF SMILES Flexibase

70112753

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-[[(1R,2R,4R)-2,4-dimethylcyclohexyl]sulfamoyl]-2-thienyl]acetic 2-[5-[[(1R,2R,4R)-2,4-dimethylcy…

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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	5.82	-46.92	1	5	-1	86	330.451	5	↓ MOL2 SDF SMILES Flexibase

70112754

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-[[(1R,2R,4S)-2,4-dimethylcyclohexyl]sulfamoyl]-2-thienyl]acetic 2-[5-[[(1R,2R,4S)-2,4-dimethylcy…

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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	5.59	-46.88	1	5	-1	86	330.451	5	↓ MOL2 SDF SMILES Flexibase

70112787

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(1S,2R,4R)-2,4-dimethylcyclohexyl]sulfamoyl]thiophene-3-carboxylic 5-[[(1S,2R,4R)-2,4-dimethylcyclo…

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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)	2.61	5.16	-50.39	1	5	-1	86	316.424	4	↓ MOL2 SDF SMILES Flexibase

70112788

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(1S,2R,4S)-2,4-dimethylcyclohexyl]sulfamoyl]thiophene-3-carboxylic 5-[[(1S,2R,4S)-2,4-dimethylcyclo…

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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)	2.61	4.68	-50.13	1	5	-1	86	316.424	4	↓ MOL2 SDF SMILES Flexibase

70112789

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(1R,2R,4R)-2,4-dimethylcyclohexyl]sulfamoyl]thiophene-3-carboxylic 5-[[(1R,2R,4R)-2,4-dimethylcyclo…

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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)	2.61	4.84	-50.28	1	5	-1	86	316.424	4	↓ MOL2 SDF SMILES Flexibase

70112790

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(1R,2R,4S)-2,4-dimethylcyclohexyl]sulfamoyl]thiophene-3-carboxylic 5-[[(1R,2R,4S)-2,4-dimethylcyclo…

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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)	2.61	4.62	-50.41	1	5	-1	86	316.424	4	↓ MOL2 SDF SMILES Flexibase

70115947

Analogs

34975276
34975278
34975280
34975281

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(aminomethyl)-N-[(1S,2R,4R)-2,4-dimethylcyclohexyl]thiophene-2-sulfonamide 5-(aminomethyl)-N-[(1S,2R,4R)-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)	2.53	2.81	-55.86	4	4	1	74	303.473	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.53	2.42	-8.73	3	4	0	72	302.465	4	↓ MOL2 SDF SMILES Flexibase

70115948

Analogs

34975276
34975278
34975280
34975281

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(aminomethyl)-N-[(1S,2R,4S)-2,4-dimethylcyclohexyl]thiophene-2-sulfonamide 5-(aminomethyl)-N-[(1S,2R,4S)-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)	2.53	2.34	-55.85	4	4	1	74	303.473	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.53	1.94	-8.87	3	4	0	72	302.465	4	↓ MOL2 SDF SMILES Flexibase

70115949

Analogs

34975276
34975278
34975280
34975281

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(aminomethyl)-N-[(1R,2R,4R)-2,4-dimethylcyclohexyl]thiophene-2-sulfonamide 5-(aminomethyl)-N-[(1R,2R,4R)-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)	2.53	2.49	-55.91	4	4	1	74	303.473	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.53	2.1	-8.88	3	4	0	72	302.465	4	↓ MOL2 SDF SMILES Flexibase

70115950

Analogs

34975276
34975278
34975280
34975281

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(aminomethyl)-N-[(1R,2R,4S)-2,4-dimethylcyclohexyl]thiophene-2-sulfonamide 5-(aminomethyl)-N-[(1R,2R,4S)-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)	2.53	2.27	-55.96	4	4	1	74	303.473	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.53	1.87	-8.87	3	4	0	72	302.465	4	↓ MOL2 SDF SMILES Flexibase

70115955

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(2-aminoethyl)-N-[(1S,2R,4R)-2,4-dimethylcyclohexyl]thiophene-2-sulfonamide 5-(2-aminoethyl)-N-[(1S,2R,4R)-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)	2.33	3.58	-56.3	4	4	1	74	317.5	5	↓ MOL2 SDF SMILES Flexibase

70115956

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(2-aminoethyl)-N-[(1S,2R,4S)-2,4-dimethylcyclohexyl]thiophene-2-sulfonamide 5-(2-aminoethyl)-N-[(1S,2R,4S)-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)	2.33	3.11	-56.38	4	4	1	74	317.5	5	↓ MOL2 SDF SMILES Flexibase

70115957

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(2-aminoethyl)-N-[(1R,2R,4R)-2,4-dimethylcyclohexyl]thiophene-2-sulfonamide 5-(2-aminoethyl)-N-[(1R,2R,4R)-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)	2.33	3.26	-56.33	4	4	1	74	317.5	5	↓ MOL2 SDF SMILES Flexibase

70115958

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(2-aminoethyl)-N-[(1R,2R,4S)-2,4-dimethylcyclohexyl]thiophene-2-sulfonamide 5-(2-aminoethyl)-N-[(1R,2R,4S)-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)	2.33	3.04	-56.37	4	4	1	74	317.5	5	↓ MOL2 SDF SMILES Flexibase

70116747

Analogs

42254300
42254304
42254308
42254312

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-N-[(1S,2R,4R)-2,4-dimethylcyclohexyl]thiophene-2-sulfonamide 5-bromo-N-[(1S,2R,4R)-2,4-dimeth…

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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)	4.04	5.32	-6.46	1	3	0	46	352.319	3	↓ MOL2 SDF SMILES Flexibase

70116748

Analogs

42254300
42254304
42254308
42254312

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-N-[(1S,2R,4S)-2,4-dimethylcyclohexyl]thiophene-2-sulfonamide 5-bromo-N-[(1S,2R,4S)-2,4-dimeth…

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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)	4.04	4.85	-6.58	1	3	0	46	352.319	3	↓ MOL2 SDF SMILES Flexibase

70116749

Analogs

42254300
42254304
42254308
42254312

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-N-[(1R,2R,4R)-2,4-dimethylcyclohexyl]thiophene-2-sulfonamide 5-bromo-N-[(1R,2R,4R)-2,4-dimeth…

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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)	4.04	5	-6.65	1	3	0	46	352.319	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 61267
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 = 61267 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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<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": "61267"        

    });
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