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ZINC Item

Suppliers, Protomers, & Similar Substances

6728673

Analogs

31903966

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopentyl-2-ethoxy-4,5-dimethyl-benzenesulfonamide N-cyclopentyl-2-ethoxy-4,5-dimet…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.59	-3.21	-10.28	1	4	0	55	297.42	5	↓ MOL2 SDF SMILES Flexibase

6729259

Analogs

37054636
42176172

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopentyl-2,3,5,6-tetramethylbenzenesulfonamide N-cyclopentyl-2,3,5,6-tetramethy…

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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)	3.98	-2.56	-7.23	1	3	0	46	281.421	3	↓ MOL2 SDF SMILES Flexibase

50656041

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-cyclopentyl-N-ethyl-2-nitro-benzenesulfonamide 4-amino-N-cyclopentyl-N-ethyl-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)	1.99	5.11	-20.2	2	7	0	109	313.379	5	↓ MOL2 SDF SMILES Flexibase

50656043

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-N-cyclopentyl-N-ethyl-5-nitro-benzenesulfonamide 2-amino-N-cyclopentyl-N-ethyl-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)	2.40	4.8	-12.92	2	7	0	109	313.379	5	↓ MOL2 SDF SMILES Flexibase

50656046

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-N-cyclopentyl-N-ethyl-4-nitro-benzenesulfonamide 2-amino-N-cyclopentyl-N-ethyl-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)	2.40	4.79	-9.01	2	7	0	109	313.379	5	↓ MOL2 SDF SMILES Flexibase

50656049

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-cyclopentyl-N-ethyl-2-nitro-benzenesulfonamide 5-amino-N-cyclopentyl-N-ethyl-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)	1.99	5.11	-22.12	2	7	0	109	313.379	5	↓ MOL2 SDF SMILES Flexibase

50656053

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopentyl-N-ethyl-4-(ethylamino)benzenesulfonamide N-cyclopentyl-N-ethyl-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)	3.26	5.38	-8.1	1	4	0	49	296.436	6	↓ MOL2 SDF SMILES Flexibase

50656055

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopentyl-N-ethyl-4-(propylamino)benzenesulfonamide N-cyclopentyl-N-ethyl-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)	3.76	6.13	-7.98	1	4	0	49	310.463	7	↓ MOL2 SDF SMILES Flexibase

50656068

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopentyl-N-ethyl-2-(methylamino)benzenesulfonamide N-cyclopentyl-N-ethyl-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)	2.84	5.11	-9.14	1	4	0	49	282.409	5	↓ MOL2 SDF SMILES Flexibase

50656070

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopentyl-N-ethyl-2-(ethylamino)benzenesulfonamide N-cyclopentyl-N-ethyl-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)	3.21	5.95	-8.6	1	4	0	49	296.436	6	↓ MOL2 SDF SMILES Flexibase

50656072

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopentyl-N-ethyl-2-(propylamino)benzenesulfonamide N-cyclopentyl-N-ethyl-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)	3.71	6.7	-8.35	1	4	0	49	310.463	7	↓ MOL2 SDF SMILES Flexibase

50661411

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(1S,2R)-2-methoxycyclopentyl]-2-nitro-benzenesulfonamide 4-amino-N-[(1S,2R)-2-methoxycycl…

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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)	0.84	2.31	-14.1	3	8	0	127	315.351	5	↓ MOL2 SDF SMILES Flexibase

50661413

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(1S,2S)-2-methoxycyclopentyl]-2-nitro-benzenesulfonamide 4-amino-N-[(1S,2S)-2-methoxycycl…

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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)	0.84	1.91	-13.22	3	8	0	127	315.351	5	↓ MOL2 SDF SMILES Flexibase

50661414

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(1R,2R)-2-methoxycyclopentyl]-2-nitro-benzenesulfonamide 4-amino-N-[(1R,2R)-2-methoxycycl…

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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)	0.84	1.82	-13.77	3	8	0	127	315.351	5	↓ MOL2 SDF SMILES Flexibase

50661417

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(1R,2S)-2-methoxycyclopentyl]-2-nitro-benzenesulfonamide 4-amino-N-[(1R,2S)-2-methoxycycl…

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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)	0.84	2.22	-15.15	3	8	0	127	315.351	5	↓ MOL2 SDF SMILES Flexibase

50661419

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-N-[(1S,2R)-2-methoxycyclopentyl]-5-nitro-benzenesulfonamide 2-amino-N-[(1S,2R)-2-methoxycycl…

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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	1.94	-12.96	3	8	0	127	315.351	5	↓ MOL2 SDF SMILES Flexibase

50661420

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-N-[(1S,2S)-2-methoxycyclopentyl]-5-nitro-benzenesulfonamide 2-amino-N-[(1S,2S)-2-methoxycycl…

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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	1.53	-14.63	3	8	0	127	315.351	5	↓ MOL2 SDF SMILES Flexibase

50661423

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-N-[(1R,2R)-2-methoxycyclopentyl]-5-nitro-benzenesulfonamide 2-amino-N-[(1R,2R)-2-methoxycycl…

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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	1.54	-16.3	3	8	0	127	315.351	5	↓ MOL2 SDF SMILES Flexibase

50661424

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-N-[(1R,2S)-2-methoxycyclopentyl]-5-nitro-benzenesulfonamide 2-amino-N-[(1R,2S)-2-methoxycycl…

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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	1.79	-14.96	3	8	0	127	315.351	5	↓ MOL2 SDF SMILES Flexibase

50661427

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-N-[(1S,2R)-2-methoxycyclopentyl]-4-nitro-benzenesulfonamide 2-amino-N-[(1S,2R)-2-methoxycycl…

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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	1.93	-9.4	3	8	0	127	315.351	5	↓ MOL2 SDF SMILES Flexibase

50661428

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-N-[(1S,2S)-2-methoxycyclopentyl]-4-nitro-benzenesulfonamide 2-amino-N-[(1S,2S)-2-methoxycycl…

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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	1.52	-10.67	3	8	0	127	315.351	5	↓ MOL2 SDF SMILES Flexibase

50661431

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-N-[(1R,2R)-2-methoxycyclopentyl]-4-nitro-benzenesulfonamide 2-amino-N-[(1R,2R)-2-methoxycycl…

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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	1.53	-11.51	3	8	0	127	315.351	5	↓ MOL2 SDF SMILES Flexibase

50661433

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-N-[(1R,2S)-2-methoxycyclopentyl]-4-nitro-benzenesulfonamide 2-amino-N-[(1R,2S)-2-methoxycycl…

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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	1.78	-10.79	3	8	0	127	315.351	5	↓ MOL2 SDF SMILES Flexibase

50661435

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-[(1S,2R)-2-methoxycyclopentyl]-2-nitro-benzenesulfonamide 5-amino-N-[(1S,2R)-2-methoxycycl…

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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)	0.84	2.31	-14.78	3	8	0	127	315.351	5	↓ MOL2 SDF SMILES Flexibase

50661437

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-[(1S,2S)-2-methoxycyclopentyl]-2-nitro-benzenesulfonamide 5-amino-N-[(1S,2S)-2-methoxycycl…

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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)	0.84	1.91	-13.8	3	8	0	127	315.351	5	↓ MOL2 SDF SMILES Flexibase

50661440

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-[(1R,2R)-2-methoxycyclopentyl]-2-nitro-benzenesulfonamide 5-amino-N-[(1R,2R)-2-methoxycycl…

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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)	0.84	1.82	-14.29	3	8	0	127	315.351	5	↓ MOL2 SDF SMILES Flexibase

50661443

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-[(1R,2S)-2-methoxycyclopentyl]-2-nitro-benzenesulfonamide 5-amino-N-[(1R,2S)-2-methoxycycl…

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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)	0.84	2.22	-15.9	3	8	0	127	315.351	5	↓ MOL2 SDF SMILES Flexibase

50661446

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(ethylamino)-N-[(1R,2S)-2-methoxycyclopentyl]benzenesulfonamide 4-(ethylamino)-N-[(1R,2S)-2-meth…

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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)	2.10	2.56	-9.41	2	5	0	67	298.408	6	↓ MOL2 SDF SMILES Flexibase

50661447

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(ethylamino)-N-[(1S,2S)-2-methoxycyclopentyl]benzenesulfonamide 4-(ethylamino)-N-[(1S,2S)-2-meth…

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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)	2.10	2.1	-9.21	2	5	0	67	298.408	6	↓ MOL2 SDF SMILES Flexibase

50661450

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(ethylamino)-N-[(1R,2R)-2-methoxycyclopentyl]benzenesulfonamide 4-(ethylamino)-N-[(1R,2R)-2-meth…

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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)	2.10	2.17	-10.37	2	5	0	67	298.408	6	↓ MOL2 SDF SMILES Flexibase

50661453

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(ethylamino)-N-[(1S,2R)-2-methoxycyclopentyl]benzenesulfonamide 4-(ethylamino)-N-[(1S,2R)-2-meth…

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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)	2.10	2.38	-9.34	2	5	0	67	298.408	6	↓ MOL2 SDF SMILES Flexibase

50661454

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2S)-2-methoxycyclopentyl]-4-(propylamino)benzenesulfonamide N-[(1R,2S)-2-methoxycyclopentyl]…

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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	3.32	-9.24	2	5	0	67	312.435	7	↓ MOL2 SDF SMILES Flexibase

50661457

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2S)-2-methoxycyclopentyl]-4-(propylamino)benzenesulfonamide N-[(1S,2S)-2-methoxycyclopentyl]…

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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	2.85	-8.98	2	5	0	67	312.435	7	↓ MOL2 SDF SMILES Flexibase

50661458

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2R)-2-methoxycyclopentyl]-4-(propylamino)benzenesulfonamide N-[(1R,2R)-2-methoxycyclopentyl]…

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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	2.92	-10.19	2	5	0	67	312.435	7	↓ MOL2 SDF SMILES Flexibase

50661461

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2R)-2-methoxycyclopentyl]-4-(propylamino)benzenesulfonamide N-[(1S,2R)-2-methoxycyclopentyl]…

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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	3.13	-9.15	2	5	0	67	312.435	7	↓ MOL2 SDF SMILES Flexibase

50661492

Analogs

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Popular Name: N-[(1R,2S)-2-methoxycyclopentyl]-2-(methylamino)benzenesulfonamide N-[(1R,2S)-2-methoxycyclopentyl]…

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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	2.16	-9.86	2	5	0	67	284.381	5	↓ MOL2 SDF SMILES Flexibase

50661495

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2S)-2-methoxycyclopentyl]-2-(methylamino)benzenesulfonamide N-[(1S,2S)-2-methoxycyclopentyl]…

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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	1.8	-10.07	2	5	0	67	284.381	5	↓ MOL2 SDF SMILES Flexibase

50661498

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2R)-2-methoxycyclopentyl]-2-(methylamino)benzenesulfonamide N-[(1R,2R)-2-methoxycyclopentyl]…

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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	1.81	-11.18	2	5	0	67	284.381	5	↓ MOL2 SDF SMILES Flexibase

50661499

Analogs

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Popular Name: N-[(1S,2R)-2-methoxycyclopentyl]-2-(methylamino)benzenesulfonamide N-[(1S,2R)-2-methoxycyclopentyl]…

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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	2.09	-9.05	2	5	0	67	284.381	5	↓ MOL2 SDF SMILES Flexibase

50661502

Analogs

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Popular Name: 2-(ethylamino)-N-[(1R,2S)-2-methoxycyclopentyl]benzenesulfonamide 2-(ethylamino)-N-[(1R,2S)-2-meth…

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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)	2.06	2.96	-9.63	2	5	0	67	298.408	6	↓ MOL2 SDF SMILES Flexibase

50661504

Analogs

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Popular Name: 2-(ethylamino)-N-[(1S,2S)-2-methoxycyclopentyl]benzenesulfonamide 2-(ethylamino)-N-[(1S,2S)-2-meth…

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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)	2.06	2.61	-9.74	2	5	0	67	298.408	6	↓ MOL2 SDF SMILES Flexibase

50661507

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(ethylamino)-N-[(1R,2R)-2-methoxycyclopentyl]benzenesulfonamide 2-(ethylamino)-N-[(1R,2R)-2-meth…

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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)	2.06	2.62	-10.88	2	5	0	67	298.408	6	↓ MOL2 SDF SMILES Flexibase

50661509

Analogs

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Popular Name: 2-(ethylamino)-N-[(1S,2R)-2-methoxycyclopentyl]benzenesulfonamide 2-(ethylamino)-N-[(1S,2R)-2-meth…

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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)	2.06	2.9	-8.87	2	5	0	67	298.408	6	↓ MOL2 SDF SMILES Flexibase

50661511

Analogs

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Popular Name: N-[(1R,2S)-2-methoxycyclopentyl]-2-(propylamino)benzenesulfonamide N-[(1R,2S)-2-methoxycyclopentyl]…

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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)	2.56	3.72	-9.37	2	5	0	67	312.435	7	↓ MOL2 SDF SMILES Flexibase

50661514

Analogs

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Popular Name: N-[(1S,2S)-2-methoxycyclopentyl]-2-(propylamino)benzenesulfonamide N-[(1S,2S)-2-methoxycyclopentyl]…

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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)	2.56	3.37	-9.52	2	5	0	67	312.435	7	↓ MOL2 SDF SMILES Flexibase

50661517

Analogs

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Popular Name: N-[(1R,2R)-2-methoxycyclopentyl]-2-(propylamino)benzenesulfonamide N-[(1R,2R)-2-methoxycyclopentyl]…

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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)	2.56	3.39	-10.63	2	5	0	67	312.435	7	↓ MOL2 SDF SMILES Flexibase

50661520

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2R)-2-methoxycyclopentyl]-2-(propylamino)benzenesulfonamide N-[(1S,2R)-2-methoxycyclopentyl]…

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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)	2.56	3.66	-8.61	2	5	0	67	312.435	7	↓ MOL2 SDF SMILES Flexibase

40335782

Analogs

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Popular Name: 3-amino-N-cyclopentyl-N-(2-hydroxyethyl)benzenesulfonamide 3-amino-N-cyclopentyl-N-(2-hydro…

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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	0.96	-9.97	3	5	0	84	284.381	5	↓ MOL2 SDF SMILES Flexibase

40335787

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-chloro-N-cyclopentyl-N-(2-hydroxyethyl)benzenesulfonamide 5-amino-2-chloro-N-cyclopentyl-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)	1.70	1.27	-9.66	3	5	0	84	318.826	5	↓ MOL2 SDF SMILES Flexibase

40335788

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-2-chloro-N-cyclopentyl-N-(2-hydroxyethyl)benzenesulfonamide 4-amino-2-chloro-N-cyclopentyl-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)	1.70	1.27	-9.87	3	5	0	84	318.826	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
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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 = 3776 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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