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50653321

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-(cyclopentylmethyl)-2-nitro-benzenesulfonamide 4-amino-N-(cyclopentylmethyl)-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)	1.75	3.56	-12.97	3	7	0	118	299.352	5	↓ MOL2 SDF SMILES Flexibase

50653324

Analogs

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Popular Name: 2-amino-N-(cyclopentylmethyl)-5-nitro-benzenesulfonamide 2-amino-N-(cyclopentylmethyl)-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)	2.16	3.17	-13.94	3	7	0	118	299.352	5	↓ MOL2 SDF SMILES Flexibase

50653326

Analogs

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Popular Name: 2-amino-N-(cyclopentylmethyl)-4-nitro-benzenesulfonamide 2-amino-N-(cyclopentylmethyl)-4-…

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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)	2.16	3.13	-9.98	3	7	0	118	299.352	5	↓ MOL2 SDF SMILES Flexibase

50653329

Analogs

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Popular Name: 5-amino-N-(cyclopentylmethyl)-2-nitro-benzenesulfonamide 5-amino-N-(cyclopentylmethyl)-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)	1.75	3.57	-13.67	3	7	0	118	299.352	5	↓ MOL2 SDF SMILES Flexibase

50653330

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopentylmethyl)-4-(methylamino)-2-nitro-benzenesulfonamide N-(cyclopentylmethyl)-4-(methyla…

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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	4.48	-12.19	2	7	0	104	313.379	6	↓ MOL2 SDF SMILES Flexibase

50653334

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopentylmethyl)-2-(methylamino)-5-nitro-benzenesulfonamide N-(cyclopentylmethyl)-2-(methyla…

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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	4.15	-13.45	2	7	0	104	313.379	6	↓ MOL2 SDF SMILES Flexibase

50653337

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopentylmethyl)-2-(methylamino)-4-nitro-benzenesulfonamide N-(cyclopentylmethyl)-2-(methyla…

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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	4.14	-9.85	2	7	0	104	313.379	6	↓ MOL2 SDF SMILES Flexibase

50653338

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopentylmethyl)-4-(methylamino)-3-nitro-benzenesulfonamide N-(cyclopentylmethyl)-4-(methyla…

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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	3.92	-11.79	2	7	0	104	313.379	6	↓ MOL2 SDF SMILES Flexibase

50653342

Analogs

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Popular Name: N-(cyclopentylmethyl)-4-(ethylamino)benzenesulfonamide N-(cyclopentylmethyl)-4-(ethylam…

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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)	3.02	3.78	-8.72	2	4	0	58	282.409	6	↓ MOL2 SDF SMILES Flexibase

50653344

Analogs

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Popular Name: N-(cyclopentylmethyl)-4-(propylamino)benzenesulfonamide N-(cyclopentylmethyl)-4-(propyla…

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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)	3.52	4.53	-8.55	2	4	0	58	296.436	7	↓ MOL2 SDF SMILES Flexibase

50653355

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopentylmethyl)-2-(methylamino)benzenesulfonamide N-(cyclopentylmethyl)-2-(methyla…

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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)	2.60	3.43	-9.21	2	4	0	58	268.382	5	↓ MOL2 SDF SMILES Flexibase

50653359

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopentylmethyl)-2-(ethylamino)benzenesulfonamide N-(cyclopentylmethyl)-2-(ethylam…

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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	4.23	-8.95	2	4	0	58	282.409	6	↓ MOL2 SDF SMILES Flexibase

50653362

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopentylmethyl)-2-(propylamino)benzenesulfonamide N-(cyclopentylmethyl)-2-(propyla…

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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)	3.48	5	-8.68	2	4	0	58	296.436	7	↓ MOL2 SDF SMILES Flexibase

50653364

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopentylmethyl)-5-(methylamino)-2-nitro-benzenesulfonamide N-(cyclopentylmethyl)-5-(methyla…

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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	4.51	-12.87	2	7	0	104	313.379	6	↓ MOL2 SDF SMILES Flexibase

50653428

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-N-(cyclopentylmethyl)-5-methylsulfonyl-benzenesulfonamide 2-amino-N-(cyclopentylmethyl)-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)	1.07	0.01	-18.54	3	6	0	106	332.447	5	↓ MOL2 SDF SMILES Flexibase

50653433

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-N-(cyclopentylmethyl)-6-fluoro-4-nitro-benzenesulfonamide 2-amino-N-(cyclopentylmethyl)-6-…

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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	3.34	-9.63	3	7	0	118	317.342	5	↓ MOL2 SDF SMILES Flexibase

35633910

Analogs

35633911

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopentylmethyl)-3-[(1S)-1-(ethylamino)ethyl]benzenesulfonamide N-(cyclopentylmethyl)-3-[(1S)-1-…

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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)	3.26	5.55	-48.64	3	4	1	63	311.471	7	↓ MOL2 SDF SMILES Flexibase

35633911

Analogs

35633910

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopentylmethyl)-3-[(1R)-1-(ethylamino)ethyl]benzenesulfonamide N-(cyclopentylmethyl)-3-[(1R)-1-…

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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)	3.26	5.54	-47.11	3	4	1	63	311.471	7	↓ MOL2 SDF SMILES Flexibase

35633912

Analogs

35633913

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopentylmethyl)-3-[(1S)-1-(methylamino)ethyl]benzenesulfonamide N-(cyclopentylmethyl)-3-[(1S)-1-…

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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	4.7	-50.24	3	4	1	63	297.444	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.88	3.52	-7.78	2	4	0	58	296.436	6	↓ MOL2 SDF SMILES Flexibase

35633913

Analogs

35633912

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopentylmethyl)-3-[(1R)-1-(methylamino)ethyl]benzenesulfonamide N-(cyclopentylmethyl)-3-[(1R)-1-…

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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	4.71	-48.42	3	4	1	63	297.444	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.88	3.53	-8.67	2	4	0	58	296.436	6	↓ MOL2 SDF SMILES Flexibase

35633914

Analogs

35633915

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopentylmethyl)-4-[(1S)-1-(ethylamino)ethyl]benzenesulfonamide N-(cyclopentylmethyl)-4-[(1S)-1-…

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Activity (Go SEA)

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)	3.28	5.56	-48.59	3	4	1	63	311.471	7	↓ MOL2 SDF SMILES Flexibase

35633915

Analogs

35633914

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopentylmethyl)-4-[(1R)-1-(ethylamino)ethyl]benzenesulfonamide N-(cyclopentylmethyl)-4-[(1R)-1-…

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Activity (Go SEA)

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)	3.28	5.55	-47.57	3	4	1	63	311.471	7	↓ MOL2 SDF SMILES Flexibase

35633916

Analogs

35633917

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopentylmethyl)-4-[(1S)-1-(methylamino)ethyl]benzenesulfonamide N-(cyclopentylmethyl)-4-[(1S)-1-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.91	4.71	-50.04	3	4	1	63	297.444	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.91	3.53	-7.82	2	4	0	58	296.436	6	↓ MOL2 SDF SMILES Flexibase

35633917

Analogs

35633916

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopentylmethyl)-4-[(1R)-1-(methylamino)ethyl]benzenesulfonamide N-(cyclopentylmethyl)-4-[(1R)-1-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.91	4.72	-48.83	3	4	1	63	297.444	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.91	3.54	-8.57	2	4	0	58	296.436	6	↓ MOL2 SDF SMILES Flexibase

35634022

Analogs

35634023

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopentylmethyl)-4-[(1S)-1-hydroxyethyl]benzenesulfonamide N-(cyclopentylmethyl)-4-[(1S)-1-…

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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)	2.35	2.35	-9.89	2	4	0	66	283.393	5	↓ MOL2 SDF SMILES Flexibase

35634023

Analogs

35634022

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopentylmethyl)-4-[(1R)-1-hydroxyethyl]benzenesulfonamide N-(cyclopentylmethyl)-4-[(1R)-1-…

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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)	2.35	2.32	-10.22	2	4	0	66	283.393	5	↓ MOL2 SDF SMILES Flexibase

35634024

Analogs

35634025

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopentylmethyl)-3-[(1S)-1-hydroxyethyl]benzenesulfonamide N-(cyclopentylmethyl)-3-[(1S)-1-…

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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	2.34	-9.23	2	4	0	66	283.393	5	↓ MOL2 SDF SMILES Flexibase

35634025

Analogs

35634024

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopentylmethyl)-3-[(1R)-1-hydroxyethyl]benzenesulfonamide N-(cyclopentylmethyl)-3-[(1R)-1-…

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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	2.31	-9.72	2	4	0	66	283.393	5	↓ MOL2 SDF SMILES Flexibase

36110480

Analogs

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Popular Name: N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide N-[(1-hydroxycyclopentyl)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)	1.84	1.13	-9.46	2	4	0	66	255.339	4	↓ MOL2 SDF SMILES Flexibase

36110481

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-hydroxycyclopentyl)methyl]-4-methyl-benzenesulfonamide N-[(1-hydroxycyclopentyl)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)	2.29	1.8	-9.37	2	4	0	66	269.366	4	↓ MOL2 SDF SMILES Flexibase

36110482

Analogs

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Popular Name: 4-fluoro-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide 4-fluoro-N-[(1-hydroxycyclopenty…

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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	1.19	-9.06	2	4	0	66	273.329	4	↓ MOL2 SDF SMILES Flexibase

36110483

Analogs

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Popular Name: 4-chloro-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide 4-chloro-N-[(1-hydroxycyclopenty…

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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	1.65	-8.72	2	4	0	66	289.784	4	↓ MOL2 SDF SMILES Flexibase

36110484

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide 4-bromo-N-[(1-hydroxycyclopentyl…

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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	1.75	-8.69	2	4	0	66	334.235	4	↓ MOL2 SDF SMILES Flexibase

36110485

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-hydroxycyclopentyl)methyl]-4-methoxy-benzenesulfonamide N-[(1-hydroxycyclopentyl)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)	1.90	0.42	-10.05	2	5	0	76	285.365	5	↓ MOL2 SDF SMILES Flexibase

36110486

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-hydroxycyclopentyl)methyl]-3,4-dimethyl-benzenesulfonamide N-[(1-hydroxycyclopentyl)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)	2.67	2.35	-9.51	2	4	0	66	283.393	4	↓ MOL2 SDF SMILES Flexibase

36110487

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-hydroxycyclopentyl)methyl]-2,4-dimethyl-benzenesulfonamide N-[(1-hydroxycyclopentyl)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)	2.67	2.72	-9.42	2	4	0	66	283.393	4	↓ MOL2 SDF SMILES Flexibase

36110488

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-hydroxycyclopentyl)methyl]-2,5-dimethyl-benzenesulfonamide N-[(1-hydroxycyclopentyl)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)	2.67	2.61	-9.5	2	4	0	66	283.393	4	↓ MOL2 SDF SMILES Flexibase

36110489

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide 4-ethyl-N-[(1-hydroxycyclopentyl…

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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	2.57	-9.05	2	4	0	66	283.393	5	↓ MOL2 SDF SMILES Flexibase

36110491

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-hydroxycyclopentyl)methyl]-4-isopropyl-benzenesulfonamide N-[(1-hydroxycyclopentyl)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)	3.36	3.07	-8.87	2	4	0	66	297.42	5	↓ MOL2 SDF SMILES Flexibase

36110492

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-hydroxycyclopentyl)methyl]-2,4,6-trimethyl-benzenesulfonamide N-[(1-hydroxycyclopentyl)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)	3.05	3.29	-8.49	2	4	0	66	297.42	4	↓ MOL2 SDF SMILES Flexibase

36110493

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-N-[(1-hydroxycyclopentyl)methyl]-3-methyl-benzenesulfonamide 4-fluoro-N-[(1-hydroxycyclopenty…

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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	1.83	-9.06	2	4	0	66	287.356	4	↓ MOL2 SDF SMILES Flexibase

36110494

Analogs

32102814

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-N-[(1-hydroxycyclopentyl)methyl]-2-methyl-benzenesulfonamide 4-fluoro-N-[(1-hydroxycyclopenty…

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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	2.11	-8.87	2	4	0	66	287.356	4	↓ MOL2 SDF SMILES Flexibase

36110495

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4-dichloro-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide 3,4-dichloro-N-[(1-hydroxycyclop…

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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)	3.13	2.11	-8.83	2	4	0	66	324.229	4	↓ MOL2 SDF SMILES Flexibase

36110496

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-hydroxycyclopentyl)methyl]-4-methoxy-3-methyl-benzenesulfonamide N-[(1-hydroxycyclopentyl)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)	2.28	1.17	-10.14	2	5	0	76	299.392	5	↓ MOL2 SDF SMILES Flexibase

36110497

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-hydroxycyclopentyl)methyl]-4-methoxy-2-methyl-benzenesulfonamide N-[(1-hydroxycyclopentyl)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)	2.28	1.34	-9.99	2	5	0	76	299.392	5	↓ MOL2 SDF SMILES Flexibase

36110498

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-hydroxycyclopentyl)methyl]-2-methoxy-5-methyl-benzenesulfonamide N-[(1-hydroxycyclopentyl)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)	2.28	1.6	-11.14	2	5	0	76	299.392	5	↓ MOL2 SDF SMILES Flexibase

36110499

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-hydroxycyclopentyl)methyl]-3,4-dimethoxy-benzenesulfonamide N-[(1-hydroxycyclopentyl)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)	1.49	0.33	-12.02	2	6	0	85	315.391	6	↓ MOL2 SDF SMILES Flexibase

36110500

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-hydroxycyclopentyl)methyl]-2,4-dimethoxy-benzenesulfonamide N-[(1-hydroxycyclopentyl)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)	1.89	0.23	-11.3	2	6	0	85	315.391	6	↓ MOL2 SDF SMILES Flexibase

36110501

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-hydroxycyclopentyl)methyl]-2,5-dimethoxy-benzenesulfonamide N-[(1-hydroxycyclopentyl)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)	1.89	0.23	-12.71	2	6	0	85	315.391	6	↓ MOL2 SDF SMILES Flexibase

36110504

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-hydroxycyclopentyl)methyl]-2-methoxy-4,5-dimethyl-benzenesulfonamide N-[(1-hydroxycyclopentyl)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)	2.65	2.14	-11.26	2	5	0	76	313.419	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 11426
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

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Embed Link to Results

<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
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