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ZINC Item

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38568751

Analogs

38568752

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-methoxy-benzenesulfonamide N-[[(3R)-1,4-dioxaspiro[4.5]deca…

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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)	2.82	3.17	-10.61	1	6	0	74	341.429	5	↓ MOL2 SDF SMILES Flexibase

38568752

Analogs

38568751

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-methoxy-benzenesulfonamide N-[[(3S)-1,4-dioxaspiro[4.5]deca…

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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)	2.82	3.16	-12.09	1	6	0	74	341.429	5	↓ MOL2 SDF SMILES Flexibase

38568753

Analogs

38568754

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2-methoxy-benzenesulfonamide N-[[(3R)-1,4-dioxaspiro[4.5]deca…

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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)	2.80	3.68	-11.54	1	6	0	74	341.429	5	↓ MOL2 SDF SMILES Flexibase

38568754

Analogs

38568753

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2-methoxy-benzenesulfonamide N-[[(3S)-1,4-dioxaspiro[4.5]deca…

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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)	2.80	3.67	-13.3	1	6	0	74	341.429	5	↓ MOL2 SDF SMILES Flexibase

38568757

Analogs

38568758

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2,6-difluoro-benzenesulfonamide N-[[(3R)-1,4-dioxaspiro[4.5]deca…

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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	4.13	-12.04	1	5	0	65	347.383	4	↓ MOL2 SDF SMILES Flexibase

38568758

Analogs

38568757

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2,6-difluoro-benzenesulfonamide N-[[(3S)-1,4-dioxaspiro[4.5]deca…

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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	4.13	-14	1	5	0	65	347.383	4	↓ MOL2 SDF SMILES Flexibase

38568759

Analogs

38568760

Draw Identity 99% 90% 80% 70%

Popular Name: 4-acetyl-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]benzenesulfonamide 4-acetyl-N-[[(3R)-1,4-dioxaspiro…

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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)	2.69	4.36	-13.05	1	6	0	82	353.44	5	↓ MOL2 SDF SMILES Flexibase

38568760

Analogs

38568759

Draw Identity 99% 90% 80% 70%

Popular Name: 4-acetyl-N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]benzenesulfonamide 4-acetyl-N-[[(3S)-1,4-dioxaspiro…

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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)	2.69	4.35	-14.55	1	6	0	82	353.44	5	↓ MOL2 SDF SMILES Flexibase

38568761

Analogs

38568762

Draw Identity 99% 90% 80% 70%

Popular Name: 3-acetyl-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]benzenesulfonamide 3-acetyl-N-[[(3R)-1,4-dioxaspiro…

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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)	2.66	4.35	-14.68	1	6	0	82	353.44	5	↓ MOL2 SDF SMILES Flexibase

38568762

Analogs

38568761

Draw Identity 99% 90% 80% 70%

Popular Name: 3-acetyl-N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]benzenesulfonamide 3-acetyl-N-[[(3S)-1,4-dioxaspiro…

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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)	2.66	4.35	-16.75	1	6	0	82	353.44	5	↓ MOL2 SDF SMILES Flexibase

38568763

Analogs

38568764

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-4-propyl-benzenesulfonamide N-[[(3R)-1,4-dioxaspiro[4.5]deca…

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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)	4.09	6.08	-9.34	1	5	0	65	353.484	6	↓ MOL2 SDF SMILES Flexibase

38568764

Analogs

38568763

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-4-propyl-benzenesulfonamide N-[[(3S)-1,4-dioxaspiro[4.5]deca…

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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)	4.09	6.09	-10.62	1	5	0	65	353.484	6	↓ MOL2 SDF SMILES Flexibase

38568767

Analogs

38568768

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-4-fluoro-benzenesulfonamide 3-chloro-N-[[(3R)-1,4-dioxaspiro…

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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)	3.56	4.43	-9.11	1	5	0	65	363.838	4	↓ MOL2 SDF SMILES Flexibase

38568768

Analogs

38568767

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-4-fluoro-benzenesulfonamide 3-chloro-N-[[(3S)-1,4-dioxaspiro…

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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)	3.56	4.43	-10.47	1	5	0	65	363.838	4	↓ MOL2 SDF SMILES Flexibase

38568769

Analogs

38568770
38936634
38936635

Draw Identity 99% 90% 80% 70%

Popular Name: 4-tert-butyl-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]benzenesulfonamide 4-tert-butyl-N-[[(3R)-1,4-dioxas…

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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)	4.49	6.19	-9.17	1	5	0	65	367.511	5	↓ MOL2 SDF SMILES Flexibase

38568770

Analogs

38936634
38936635
38568769

Draw Identity 99% 90% 80% 70%

Popular Name: 4-tert-butyl-N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]benzenesulfonamide 4-tert-butyl-N-[[(3S)-1,4-dioxas…

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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)	4.49	6.19	-10.5	1	5	0	65	367.511	5	↓ MOL2 SDF SMILES Flexibase

38568771

Analogs

38568772

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2,3,5,6-tetramethyl-benzenesulfonamide N-[[(3R)-1,4-dioxaspiro[4.5]deca…

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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)	4.37	6.43	-8.8	1	5	0	65	367.511	4	↓ MOL2 SDF SMILES Flexibase

38568772

Analogs

38568771

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2,3,5,6-tetramethyl-benzenesulfonamide N-[[(3S)-1,4-dioxaspiro[4.5]deca…

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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)	4.37	6.42	-9.96	1	5	0	65	367.511	4	↓ MOL2 SDF SMILES Flexibase

38568773

Analogs

38568774

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methylsulfamoyl]phenyl]acetamide N-[4-[[(3R)-1,4-dioxaspiro[4.5]d…

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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	2.78	-14.78	2	7	0	94	368.455	5	↓ MOL2 SDF SMILES Flexibase

38568774

Analogs

38568773

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methylsulfamoyl]phenyl]acetamide N-[4-[[(3S)-1,4-dioxaspiro[4.5]d…

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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	2.77	-15.91	2	7	0	94	368.455	5	↓ MOL2 SDF SMILES Flexibase

38568775

Analogs

38568776

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2-ethoxy-5-methyl-benzenesulfonamide N-[[(3R)-1,4-dioxaspiro[4.5]deca…

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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)	3.60	5.25	-11.08	1	6	0	74	369.483	6	↓ MOL2 SDF SMILES Flexibase

38568776

Analogs

38568775

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2-ethoxy-5-methyl-benzenesulfonamide N-[[(3S)-1,4-dioxaspiro[4.5]deca…

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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)	3.60	5.19	-12.89	1	6	0	74	369.483	6	↓ MOL2 SDF SMILES Flexibase

38568777

Analogs

38568778
38568811
38568812

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-4-ethoxy-3-methyl-benzenesulfonamide N-[[(3R)-1,4-dioxaspiro[4.5]deca…

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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)	3.60	4.84	-10.02	1	6	0	74	369.483	6	↓ MOL2 SDF SMILES Flexibase

38568778

Analogs

38568811
38568812
38568777

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-4-ethoxy-3-methyl-benzenesulfonamide N-[[(3S)-1,4-dioxaspiro[4.5]deca…

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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)	3.60	4.83	-11.24	1	6	0	74	369.483	6	↓ MOL2 SDF SMILES Flexibase

38568779

Analogs

38568780
7595490
7595492

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-4-methoxy-3,5-dimethyl-benzenesulfonamide N-[[(3R)-1,4-dioxaspiro[4.5]deca…

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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)	3.60	4.58	-9.91	1	6	0	74	369.483	5	↓ MOL2 SDF SMILES Flexibase

38568780

Analogs

38568779
7595490
7595492

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-4-methoxy-3,5-dimethyl-benzenesulfonamide N-[[(3S)-1,4-dioxaspiro[4.5]deca…

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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)	3.60	4.57	-10.91	1	6	0	74	369.483	5	↓ MOL2 SDF SMILES Flexibase

38568781

Analogs

38568782

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-4-propoxy-benzenesulfonamide N-[[(3R)-1,4-dioxaspiro[4.5]deca…

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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)	3.72	4.89	-9.8	1	6	0	74	369.483	7	↓ MOL2 SDF SMILES Flexibase

38568782

Analogs

38568781

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-4-propoxy-benzenesulfonamide N-[[(3S)-1,4-dioxaspiro[4.5]deca…

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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)	3.72	4.89	-11	1	6	0	74	369.483	7	↓ MOL2 SDF SMILES Flexibase

38568783

Analogs

38568784

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-5-ethyl-2-methoxy-benzenesulfonamide N-[[(3R)-1,4-dioxaspiro[4.5]deca…

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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)	3.69	5.1	-11.37	1	6	0	74	369.483	6	↓ MOL2 SDF SMILES Flexibase

38568784

Analogs

38568783

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-5-ethyl-2-methoxy-benzenesulfonamide N-[[(3S)-1,4-dioxaspiro[4.5]deca…

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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)	3.69	5.1	-13.09	1	6	0	74	369.483	6	↓ MOL2 SDF SMILES Flexibase

38568787

Analogs

38568788

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-4-ethoxy-3-fluoro-benzenesulfonamide N-[[(3R)-1,4-dioxaspiro[4.5]deca…

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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)	3.31	4.17	-11.12	1	6	0	74	373.446	6	↓ MOL2 SDF SMILES Flexibase

38568788

Analogs

38568787

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-4-ethoxy-3-fluoro-benzenesulfonamide N-[[(3S)-1,4-dioxaspiro[4.5]deca…

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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)	3.31	4.18	-12.5	1	6	0	74	373.446	6	↓ MOL2 SDF SMILES Flexibase

38568791

Analogs

38568792

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Popular Name: 3-chloro-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-4-methoxy-benzenesulfonamide 3-chloro-N-[[(3R)-1,4-dioxaspiro…

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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)	3.45	3.72	-10.54	1	6	0	74	375.874	5	↓ MOL2 SDF SMILES Flexibase

38568792

Analogs

38568791

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-4-methoxy-benzenesulfonamide 3-chloro-N-[[(3S)-1,4-dioxaspiro…

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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)	3.45	3.72	-11.9	1	6	0	74	375.874	5	↓ MOL2 SDF SMILES Flexibase

38568793

Analogs

38568794

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Popular Name: 5-chloro-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2-methoxy-benzenesulfonamide 5-chloro-N-[[(3R)-1,4-dioxaspiro…

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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)	3.45	4.19	-11.34	1	6	0	74	375.874	5	↓ MOL2 SDF SMILES Flexibase

38568794

Analogs

38568793

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2-methoxy-benzenesulfonamide 5-chloro-N-[[(3S)-1,4-dioxaspiro…

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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)	3.45	4.19	-13.1	1	6	0	74	375.874	5	↓ MOL2 SDF SMILES Flexibase

38568797

Analogs

38568798

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Popular Name: N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide N-[[(3R)-1,4-dioxaspiro[4.5]deca…

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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)	3.68	4.88	-9.57	1	5	0	65	379.4	5	↓ MOL2 SDF SMILES Flexibase

38568798

Analogs

38568797

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide N-[[(3S)-1,4-dioxaspiro[4.5]deca…

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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)	3.68	4.87	-10.82	1	5	0	65	379.4	5	↓ MOL2 SDF SMILES Flexibase

38568799

Analogs

38568800

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide N-[[(3R)-1,4-dioxaspiro[4.5]deca…

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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)	3.66	4.88	-10.9	1	5	0	65	379.4	5	↓ MOL2 SDF SMILES Flexibase

38568800

Analogs

38568799

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide N-[[(3S)-1,4-dioxaspiro[4.5]deca…

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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)	3.66	4.89	-12.12	1	5	0	65	379.4	5	↓ MOL2 SDF SMILES Flexibase

38568801

Analogs

38568802
7595483
7595487

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Popular Name: N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2,3,4,5,6-pentamethyl-benzenesulfonamide N-[[(3R)-1,4-dioxaspiro[4.5]deca…

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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)	4.74	6.9	-9.33	1	5	0	65	381.538	4	↓ MOL2 SDF SMILES Flexibase

38568802

Analogs

38568801
7595483
7595487

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2,3,4,5,6-pentamethyl-benzenesulfonamide N-[[(3S)-1,4-dioxaspiro[4.5]deca…

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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)	4.74	6.9	-10.49	1	5	0	65	381.538	4	↓ MOL2 SDF SMILES Flexibase

38568803

Analogs

38568804

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Popular Name: N-[4-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methylsulfamoyl]phenyl]propanamide N-[4-[[(3R)-1,4-dioxaspiro[4.5]d…

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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	3.59	-14.48	2	7	0	94	382.482	6	↓ MOL2 SDF SMILES Flexibase

38568804

Analogs

38568803

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Popular Name: N-[4-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methylsulfamoyl]phenyl]propanamide N-[4-[[(3S)-1,4-dioxaspiro[4.5]d…

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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	3.58	-15.56	2	7	0	94	382.482	6	↓ MOL2 SDF SMILES Flexibase

38568805

Analogs

38568806

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Popular Name: N-[4-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methylsulfamoyl]-3-methyl-phenyl]acetamide N-[4-[[(3R)-1,4-dioxaspiro[4.5]d…

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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	3.67	-15.67	2	7	0	94	382.482	5	↓ MOL2 SDF SMILES Flexibase

38568806

Analogs

38568805

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methylsulfamoyl]-3-methyl-phenyl]acetamide N-[4-[[(3S)-1,4-dioxaspiro[4.5]d…

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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	3.67	-17.05	2	7	0	94	382.482	5	↓ MOL2 SDF SMILES Flexibase

38568807

Analogs

38568808

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Popular Name: N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-4-isobutoxy-benzenesulfonamide N-[[(3R)-1,4-dioxaspiro[4.5]deca…

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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)	3.97	5.6	-9.63	1	6	0	74	383.51	7	↓ MOL2 SDF SMILES Flexibase

38568808

Analogs

38568807

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-4-isobutoxy-benzenesulfonamide N-[[(3S)-1,4-dioxaspiro[4.5]deca…

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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)	3.97	5.59	-10.89	1	6	0	74	383.51	7	↓ MOL2 SDF SMILES Flexibase

38568809

Analogs

38568810

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-methyl-4-propoxy-benzenesulfonamide N-[[(3R)-1,4-dioxaspiro[4.5]deca…

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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)	4.10	5.63	-9.73	1	6	0	74	383.51	7	↓ MOL2 SDF SMILES Flexibase

38568810

Analogs

38568809

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-methyl-4-propoxy-benzenesulfonamide N-[[(3S)-1,4-dioxaspiro[4.5]deca…

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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)	4.10	5.64	-10.95	1	6	0	74	383.51	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 590802
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 = 590802 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
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