ZINC 12

User Information

Not Authenticated — sign in

Active cart: Temporary Cart (0 items)

Navigation

About
- ZINC
- BCIRC
- Irwin Lab
- Shoichet Lab
- UCSF
- Acknowledgements
- Facts
- Usage
Search
- By:
- Text
- Structure
- Properties
- Catalogs
- ZINC
- Targets
- Rings
- Combination
Subsets
- By:
- Catalog
- Property
- Target
- Ring
- Cart
Help
- Introduction
- FAQ
- Scripting/API
- Quick Search
- Problems
- Filtering
- History
Social
- ZINC Fans
- Decoy Club
- DOCK Fans
- Facebook
- Twitter
- Blog
- Linkedin
Quick Search ZINC ID or SMILES

Results
Query Details

Page Size:

Format: Representations: Purchasability:

ZINC Item

Suppliers, Protomers, & Similar Substances

11999245

Analogs

12195622

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-5-(1,1-dioxothiazinan-2-yl)-N-isopropyl-benzamide 2-chloro-5-(1,1-dioxothiazinan-2…

Find On: PubMed — Wikipedia — Google

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)	2.29	-4.49	-15.9	1	5	0	66	330.837	3	↓ MOL2 SDF SMILES Flexibase

12004276

Analogs

12207414

Draw Identity 99% 90% 80% 70%

Popular Name: N-allyl-4-(1,1-dioxothiazinan-2-yl)-2,6-dimethyl-benzenesulfonamide N-allyl-4-(1,1-dioxothiazinan-2-…

Find On: PubMed — Wikipedia — Google

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)	2.28	-6.95	-16.46	1	6	0	84	358.485	5	↓ MOL2 SDF SMILES Flexibase

12004288

Analogs

12207472

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(1,1-dioxothiazinan-2-yl)-N-(2-methoxyethyl)-2,6-dimethyl-benzenesulfonamide 4-(1,1-dioxothiazinan-2-yl)-N-(2…

Find On: PubMed — Wikipedia — Google

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)	1.62	-8.03	-16.97	1	7	0	93	376.5	6	↓ MOL2 SDF SMILES Flexibase

12004312

Analogs

12207497

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-dimethylaminoethyl)-4-(1,1-dioxothiazinan-2-yl)-2,6-dimethyl-benzenesulfonamide N-(2-dimethylaminoethyl)-4-(1,1-…

Find On: PubMed — Wikipedia — Google

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)	1.67	-6.87	-51.14	2	7	1	88	390.551	6	↓ MOL2 SDF SMILES Flexibase

12004321

Analogs

12207510

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-dimethylaminopropyl)-4-(1,1-dioxothiazinan-2-yl)-2,6-dimethyl-benzenesulfonamide N-(3-dimethylaminopropyl)-4-(1,1…

Find On: PubMed — Wikipedia — Google

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)	1.94	-6.74	-51.3	2	7	1	88	404.578	7	↓ MOL2 SDF SMILES Flexibase

12004509

Analogs

12004530
12210358

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(1,1-dioxothiazinan-2-yl)-2-methoxy-N-propyl-benzenesulfonamide 5-(1,1-dioxothiazinan-2-yl)-2-me…

Find On: PubMed — Wikipedia — Google

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)	1.75	-8.08	-24.38	1	7	0	93	362.473	6	↓ MOL2 SDF SMILES Flexibase

12004514

Analogs

12004519
12210190
12210196
12210346

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(1,1-dioxothiazinan-2-yl)-N-isopropyl-2-methoxy-benzenesulfonamide 5-(1,1-dioxothiazinan-2-yl)-N-is…

Find On: PubMed — Wikipedia — Google

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)	1.54	-7.98	-24.56	1	7	0	93	362.473	5	↓ MOL2 SDF SMILES Flexibase

12004526

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-allyl-5-(1,1-dioxothiazinan-2-yl)-2-methoxy-benzenesulfonamide N-allyl-5-(1,1-dioxothiazinan-2-…

Find On: PubMed — Wikipedia — Google

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)	1.52	-7.72	-24.4	1	7	0	93	360.457	6	↓ MOL2 SDF SMILES Flexibase

12004530

Analogs

12210358
12004509

Draw Identity 99% 90% 80% 70%

Popular Name: N-butyl-5-(1,1-dioxothiazinan-2-yl)-2-methoxy-benzenesulfonamide N-butyl-5-(1,1-dioxothiazinan-2-…

Find On: PubMed — Wikipedia — Google

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)	2.31	-7.96	-24.26	1	7	0	93	376.5	7	↓ MOL2 SDF SMILES Flexibase

12004535

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(1,1-dioxothiazinan-2-yl)-N-isobutyl-2-methoxy-benzenesulfonamide 5-(1,1-dioxothiazinan-2-yl)-N-is…

Find On: PubMed — Wikipedia — Google

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)	1.99	-7.68	-24.4	1	7	0	93	376.5	6	↓ MOL2 SDF SMILES Flexibase

12004567

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-dimethylaminoethyl)-5-(1,1-dioxothiazinan-2-yl)-2-methoxy-benzenesulfonamide N-(2-dimethylaminoethyl)-5-(1,1-…

Find On: PubMed — Wikipedia — Google

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)	0.90	-7.64	-59.62	2	8	1	97	392.523	7	↓ MOL2 SDF SMILES Flexibase

12004577

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-dimethylaminopropyl)-5-(1,1-dioxothiazinan-2-yl)-2-methoxy-benzenesulfonamide N-(3-dimethylaminopropyl)-5-(1,1…

Find On: PubMed — Wikipedia — Google

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)	1.17	-7.52	-59.61	2	8	1	97	406.55	8	↓ MOL2 SDF SMILES Flexibase

12016148

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,2-dimethoxyethyl)-5-(1,1-dioxothiazinan-2-yl)-2-methoxy-benzenesulfonamide N-(2,2-dimethoxyethyl)-5-(1,1-di…

Find On: PubMed — Wikipedia — Google

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)	0.81	-9	-27.96	1	9	0	111	408.498	8	↓ MOL2 SDF SMILES Flexibase

12208934

Analogs

12209019
16663227
16663229
12208469
12208481

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(1,1-dioxothiazinan-2-yl)-N,N-diethyl-2-methyl-benzenesulfonamide 5-(1,1-dioxothiazinan-2-yl)-N,N-…

Find On: PubMed — Wikipedia — Google

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)	2.26	-6.36	-22.93	0	6	0	75	360.501	5	↓ MOL2 SDF SMILES Flexibase

12208946

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(1,1-dioxothiazinan-2-yl)-N-(3-ethoxypropyl)-2-methyl-benzenesulfonamide 5-(1,1-dioxothiazinan-2-yl)-N-(3…

Find On: PubMed — Wikipedia — Google

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)	1.89	-8.6	-23.17	1	7	0	93	390.527	8	↓ MOL2 SDF SMILES Flexibase

12208951

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(1,1-dioxothiazinan-2-yl)-N-(3-isopropoxypropyl)-2-methyl-benzenesulfonamide 5-(1,1-dioxothiazinan-2-yl)-N-(3…

Find On: PubMed — Wikipedia — Google

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)	2.26	-8.34	-23.1	1	7	0	93	404.554	8	↓ MOL2 SDF SMILES Flexibase

12208956

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,2-dimethoxyethyl)-5-(1,1-dioxothiazinan-2-yl)-2-methyl-benzenesulfonamide N-(2,2-dimethoxyethyl)-5-(1,1-di…

Find On: PubMed — Wikipedia — Google

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)	1.21	-8.87	-24.02	1	8	0	102	392.499	7	↓ MOL2 SDF SMILES Flexibase

12208993

Analogs

16663229
12208437
12208442
12208459
12208466

Draw Identity 99% 90% 80% 70%

Popular Name: N-tert-butyl-5-(1,1-dioxothiazinan-2-yl)-2-methyl-benzenesulfonamide N-tert-butyl-5-(1,1-dioxothiazin…

Find On: PubMed — Wikipedia — Google

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)	2.45	-7.17	-21.75	1	6	0	84	360.501	4	↓ MOL2 SDF SMILES Flexibase

12209010

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(1,1-dioxothiazinan-2-yl)-N-isopentyl-2-methyl-benzenesulfonamide 5-(1,1-dioxothiazinan-2-yl)-N-is…

Find On: PubMed — Wikipedia — Google

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)	2.92	-7.48	-22.56	1	6	0	84	374.528	6	↓ MOL2 SDF SMILES Flexibase

12209017

Analogs

12209019
16663227
12208430
12208453

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(1,1-dioxothiazinan-2-yl)-2-methyl-N-pentyl-benzenesulfonamide 5-(1,1-dioxothiazinan-2-yl)-2-me…

Find On: PubMed — Wikipedia — Google

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)	3.21	-7.67	-22.51	1	6	0	84	374.528	7	↓ MOL2 SDF SMILES Flexibase

12209019

Analogs

16663227
12208430
12208453
12208481
12208934

Draw Identity 99% 90% 80% 70%

Popular Name: N-butyl-5-(1,1-dioxothiazinan-2-yl)-N,2-dimethyl-benzenesulfonamide N-butyl-5-(1,1-dioxothiazinan-2-…

Find On: PubMed — Wikipedia — Google

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)	2.95	-5.79	-16.31	0	6	0	75	374.528	6	↓ MOL2 SDF SMILES Flexibase

12209441

Analogs

12209450
12209813
12207402

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(1,1-dioxothiazinan-2-yl)-2,6-dimethyl-N-propyl-benzenesulfonamide 4-(1,1-dioxothiazinan-2-yl)-2,6-…

Find On: PubMed — Wikipedia — Google

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)	2.52	-7.31	-16.56	1	6	0	84	360.501	5	↓ MOL2 SDF SMILES Flexibase

12209444

Analogs

12209457
12209462
12209790
12004267
12207405

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(1,1-dioxothiazinan-2-yl)-N-isopropyl-2,6-dimethyl-benzenesulfonamide 4-(1,1-dioxothiazinan-2-yl)-N-is…

Find On: PubMed — Wikipedia — Google

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)	2.31	-7	-16.69	1	6	0	84	360.501	4	↓ MOL2 SDF SMILES Flexibase

12209450

Analogs

12209813
12209818
12207956
12209441
12207422

Draw Identity 99% 90% 80% 70%

Popular Name: N-butyl-4-(1,1-dioxothiazinan-2-yl)-2,6-dimethyl-benzenesulfonamide N-butyl-4-(1,1-dioxothiazinan-2-…

Find On: PubMed — Wikipedia — Google

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)	3.08	-7.19	-16.53	1	6	0	84	374.528	6	↓ MOL2 SDF SMILES Flexibase

12209455

Analogs

12207426

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(1,1-dioxothiazinan-2-yl)-N-isobutyl-2,6-dimethyl-benzenesulfonamide 4-(1,1-dioxothiazinan-2-yl)-N-is…

Find On: PubMed — Wikipedia — Google

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)	2.76	-6.87	-16.35	1	6	0	84	374.528	5	↓ MOL2 SDF SMILES Flexibase

12209457

Analogs

12209462
12209790
12004267
12207405
12207431

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(1,1-dioxothiazinan-2-yl)-2,6-dimethyl-N-sec-butyl-benzenesulfonamide 4-(1,1-dioxothiazinan-2-yl)-2,6-…

Find On: PubMed — Wikipedia — Google

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)	2.85	-6.83	-16.44	1	6	0	84	374.528	5	↓ MOL2 SDF SMILES Flexibase

12209462

Analogs

12209790
12004267
12207405
12207431

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(1,1-dioxothiazinan-2-yl)-2,6-dimethyl-N-sec-butyl-benzenesulfonamide 4-(1,1-dioxothiazinan-2-yl)-2,6-…

Find On: PubMed — Wikipedia — Google

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)	2.85	-6.85	-16.74	1	6	0	84	374.528	5	↓ MOL2 SDF SMILES Flexibase

12209492

Analogs

12207480

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(1,1-dioxothiazinan-2-yl)-N-(3-methoxypropyl)-2,6-dimethyl-benzenesulfonamide 4-(1,1-dioxothiazinan-2-yl)-N-(3…

Find On: PubMed — Wikipedia — Google

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)	1.89	-7.99	-17.55	1	7	0	93	390.527	7	↓ MOL2 SDF SMILES Flexibase

12209751

Analogs

12207881
12209474

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(1,1-dioxothiazinan-2-yl)-N,N-diethyl-2,6-dimethyl-benzenesulfonamide 4-(1,1-dioxothiazinan-2-yl)-N,N-…

Find On: PubMed — Wikipedia — Google

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)	2.64	-5.66	-17.18	0	6	0	75	374.528	5	↓ MOL2 SDF SMILES Flexibase

12209758

Analogs

12207894

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(1,1-dioxothiazinan-2-yl)-N-(3-ethoxypropyl)-2,6-dimethyl-benzenesulfonamide 4-(1,1-dioxothiazinan-2-yl)-N-(3…

Find On: PubMed — Wikipedia — Google

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)	2.27	-8	-17.51	1	7	0	93	404.554	8	↓ MOL2 SDF SMILES Flexibase

12209764

Analogs

12207899

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(1,1-dioxothiazinan-2-yl)-N-(3-isopropoxypropyl)-2,6-dimethyl-benzenesulfonamide 4-(1,1-dioxothiazinan-2-yl)-N-(3…

Find On: PubMed — Wikipedia — Google

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)	2.63	-7.75	-17.46	1	7	0	93	418.581	8	↓ MOL2 SDF SMILES Flexibase

12209767

Analogs

12207907

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,2-dimethoxyethyl)-4-(1,1-dioxothiazinan-2-yl)-2,6-dimethyl-benzenesulfonamide N-(2,2-dimethoxyethyl)-4-(1,1-di…

Find On: PubMed — Wikipedia — Google

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)	1.58	-8.21	-18.23	1	8	0	102	406.526	7	↓ MOL2 SDF SMILES Flexibase

12209790

Analogs

12004267
12207405
12207431

Draw Identity 99% 90% 80% 70%

Popular Name: N-tert-butyl-4-(1,1-dioxothiazinan-2-yl)-2,6-dimethyl-benzenesulfonamide N-tert-butyl-4-(1,1-dioxothiazin…

Find On: PubMed — Wikipedia — Google

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)	2.82	-6.44	-16.96	1	6	0	84	374.528	4	↓ MOL2 SDF SMILES Flexibase

12209808

Analogs

12207952

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(1,1-dioxothiazinan-2-yl)-N-isopentyl-2,6-dimethyl-benzenesulfonamide 4-(1,1-dioxothiazinan-2-yl)-N-is…

Find On: PubMed — Wikipedia — Google

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)	3.29	-6.88	-16.46	1	6	0	84	388.555	6	↓ MOL2 SDF SMILES Flexibase

12209813

Analogs

12209818
12207956
12209441
12209450
12207422

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(1,1-dioxothiazinan-2-yl)-2,6-dimethyl-N-pentyl-benzenesulfonamide 4-(1,1-dioxothiazinan-2-yl)-2,6-…

Find On: PubMed — Wikipedia — Google

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)	3.58	-7.07	-16.54	1	6	0	84	388.555	7	↓ MOL2 SDF SMILES Flexibase

12209818

Analogs

12207959
12209450
12209474
12209813

Draw Identity 99% 90% 80% 70%

Popular Name: N-butyl-4-(1,1-dioxothiazinan-2-yl)-N,2,6-trimethyl-benzenesulfonamide N-butyl-4-(1,1-dioxothiazinan-2-…

Find On: PubMed — Wikipedia — Google

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)	3.32	-5.51	-16.75	0	6	0	75	388.555	6	↓ MOL2 SDF SMILES Flexibase

12210190

Analogs

12210196
12210346
12004514
12004519

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(1,1-dioxothiazinan-2-yl)-2-methoxy-N-sec-butyl-benzenesulfonamide 5-(1,1-dioxothiazinan-2-yl)-2-me…

Find On: PubMed — Wikipedia — Google

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)	2.08	-7.8	-23.55	1	7	0	93	376.5	6	↓ MOL2 SDF SMILES Flexibase

12210196

Analogs

12210346
12004514
12004519
12210190

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(1,1-dioxothiazinan-2-yl)-2-methoxy-N-sec-butyl-benzenesulfonamide 5-(1,1-dioxothiazinan-2-yl)-2-me…

Find On: PubMed — Wikipedia — Google

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)	2.08	-7.94	-23.97	1	7	0	93	376.5	6	↓ MOL2 SDF SMILES Flexibase

12210205

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(1,1-dioxothiazinan-2-yl)-2-methoxy-N-(2-methoxyethyl)benzenesulfonamide 5-(1,1-dioxothiazinan-2-yl)-2-me…

Find On: PubMed — Wikipedia — Google

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)	0.86	-8.81	-25.32	1	8	0	102	378.472	7	↓ MOL2 SDF SMILES Flexibase

12210210

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(1,1-dioxothiazinan-2-yl)-2-methoxy-N-(3-methoxypropyl)benzenesulfonamide 5-(1,1-dioxothiazinan-2-yl)-2-me…

Find On: PubMed — Wikipedia — Google

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)	1.13	-8.77	-25.65	1	8	0	102	392.499	8	↓ MOL2 SDF SMILES Flexibase

12210326

Analogs

12210366
12004539

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(1,1-dioxothiazinan-2-yl)-N,N-diethyl-2-methoxy-benzenesulfonamide 5-(1,1-dioxothiazinan-2-yl)-N,N-…

Find On: PubMed — Wikipedia — Google

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)	1.87	-6.18	-24.64	0	7	0	84	376.5	6	↓ MOL2 SDF SMILES Flexibase

12210333

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(1,1-dioxothiazinan-2-yl)-N-(3-ethoxypropyl)-2-methoxy-benzenesulfonamide 5-(1,1-dioxothiazinan-2-yl)-N-(3…

Find On: PubMed — Wikipedia — Google

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)	1.50	-8.78	-25.65	1	8	0	102	406.526	9	↓ MOL2 SDF SMILES Flexibase

12210336

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(1,1-dioxothiazinan-2-yl)-N-(3-isopropoxypropyl)-2-methoxy-benzenesulfonamide 5-(1,1-dioxothiazinan-2-yl)-N-(3…

Find On: PubMed — Wikipedia — Google

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)	1.87	-8.52	-25.62	1	8	0	102	420.553	9	↓ MOL2 SDF SMILES Flexibase

12210346

Analogs

12004514
12210190
12210196

Draw Identity 99% 90% 80% 70%

Popular Name: N-tert-butyl-5-(1,1-dioxothiazinan-2-yl)-2-methoxy-benzenesulfonamide N-tert-butyl-5-(1,1-dioxothiazin…

Find On: PubMed — Wikipedia — Google

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)	2.06	-7.46	-23.18	1	7	0	93	376.5	5	↓ MOL2 SDF SMILES Flexibase

12210353

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(1,1-dioxothiazinan-2-yl)-N-isopentyl-2-methoxy-benzenesulfonamide 5-(1,1-dioxothiazinan-2-yl)-N-is…

Find On: PubMed — Wikipedia — Google

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)	2.52	-7.65	-24.24	1	7	0	93	390.527	7	↓ MOL2 SDF SMILES Flexibase

12210358

Analogs

12004509
12004530

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(1,1-dioxothiazinan-2-yl)-2-methoxy-N-pentyl-benzenesulfonamide 5-(1,1-dioxothiazinan-2-yl)-2-me…

Find On: PubMed — Wikipedia — Google

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)	2.81	-7.84	-24.29	1	7	0	93	390.527	8	↓ MOL2 SDF SMILES Flexibase

12210366

Analogs

12210326

Draw Identity 99% 90% 80% 70%

Popular Name: N-butyl-5-(1,1-dioxothiazinan-2-yl)-2-methoxy-N-methyl-benzenesulfonamide N-butyl-5-(1,1-dioxothiazinan-2-…

Find On: PubMed — Wikipedia — Google

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)	2.55	-6.34	-24.57	0	7	0	84	390.527	7	↓ MOL2 SDF SMILES Flexibase

41246121

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(m-tolyl)thiazinane 2-(m-tolyl)thiazinane

Find On: PubMed — Wikipedia — Google

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)	2.24	4.54	-12.15	0	3	0	37	225.313	1	↓ MOL2 SDF SMILES Flexibase

41246124

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(p-tolyl)thiazinane 2-(p-tolyl)thiazinane

Find On: PubMed — Wikipedia — Google

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)	2.27	4.53	-12.22	0	3	0	37	225.313	1	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 69607
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 = 69607 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=69607&filter.purchasability=annotated

Embed Link to Results

<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
        "ring.id": "69607"        

    });
</script>

ZINC 12

User Information

Navigation

About

Search

Subsets

Help

Social

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations