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

48947089

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-N-methyl-N-[[(2S)-tetrahydropyran-2-yl]methyl]benzenesulfonamide 3-amino-N-methyl-N-[[(2S)-tetrah…

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)	1.18	3.33	-11.88	2	5	0	73	284.381	4	↓ MOL2 SDF SMILES Flexibase

48947090

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-N-methyl-N-[[(2R)-tetrahydropyran-2-yl]methyl]benzenesulfonamide 3-amino-N-methyl-N-[[(2R)-tetrah…

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)	1.18	2.52	-9.73	2	5	0	73	284.381	4	↓ MOL2 SDF SMILES Flexibase

48947095

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-methyl-N-[[(2S)-tetrahydropyran-2-yl]methyl]benzenesulfonamide 4-amino-N-methyl-N-[[(2S)-tetrah…

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	3.33	-12.09	2	5	0	73	284.381	4	↓ MOL2 SDF SMILES Flexibase

48947096

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-methyl-N-[[(2R)-tetrahydropyran-2-yl]methyl]benzenesulfonamide 4-amino-N-methyl-N-[[(2R)-tetrah…

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	2.52	-9.99	2	5	0	73	284.381	4	↓ MOL2 SDF SMILES Flexibase

48947099

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-N-methyl-N-[[(2S)-tetrahydropyran-2-yl]methyl]benzenesulfonamide 2-amino-N-methyl-N-[[(2S)-tetrah…

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)	1.57	3.75	-12.16	2	5	0	73	284.381	4	↓ MOL2 SDF SMILES Flexibase

48947100

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-N-methyl-N-[[(2R)-tetrahydropyran-2-yl]methyl]benzenesulfonamide 2-amino-N-methyl-N-[[(2R)-tetrah…

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)	1.57	2.96	-9.48	2	5	0	73	284.381	4	↓ MOL2 SDF SMILES Flexibase

48947103

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-4-fluoro-N-methyl-N-[[(2S)-tetrahydropyran-2-yl]methyl]benzenesulfonamide 2-amino-4-fluoro-N-methyl-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)	1.71	3.81	-10.75	2	5	0	73	302.371	4	↓ MOL2 SDF SMILES Flexibase

48947104

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-4-fluoro-N-methyl-N-[[(2R)-tetrahydropyran-2-yl]methyl]benzenesulfonamide 2-amino-4-fluoro-N-methyl-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)	1.71	3.03	-8.37	2	5	0	73	302.371	4	↓ MOL2 SDF SMILES Flexibase

48947107

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N,2-dimethyl-N-[[(2S)-tetrahydropyran-2-yl]methyl]benzenesulfonamide 5-amino-N,2-dimethyl-N-[[(2S)-te…

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	2.94	-8.66	2	5	0	73	298.408	4	↓ MOL2 SDF SMILES Flexibase

48947108

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N,2-dimethyl-N-[[(2R)-tetrahydropyran-2-yl]methyl]benzenesulfonamide 5-amino-N,2-dimethyl-N-[[(2R)-te…

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	3.02	-9.78	2	5	0	73	298.408	4	↓ MOL2 SDF SMILES Flexibase

48947113

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-chloro-N-methyl-N-[[(2S)-tetrahydropyran-2-yl]methyl]benzenesulfonamide 5-amino-2-chloro-N-methyl-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)	1.81	3.54	-11.71	2	5	0	73	318.826	4	↓ MOL2 SDF SMILES Flexibase

48947114

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-chloro-N-methyl-N-[[(2R)-tetrahydropyran-2-yl]methyl]benzenesulfonamide 5-amino-2-chloro-N-methyl-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)	1.81	2.76	-9.67	2	5	0	73	318.826	4	↓ MOL2 SDF SMILES Flexibase

48947117

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-2-chloro-N-methyl-N-[[(2S)-tetrahydropyran-2-yl]methyl]benzenesulfonamide 4-amino-2-chloro-N-methyl-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)	1.81	3.54	-12.01	2	5	0	73	318.826	4	↓ MOL2 SDF SMILES Flexibase

48947118

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-2-chloro-N-methyl-N-[[(2R)-tetrahydropyran-2-yl]methyl]benzenesulfonamide 4-amino-2-chloro-N-methyl-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)	1.81	2.77	-10.05	2	5	0	73	318.826	4	↓ MOL2 SDF SMILES Flexibase

48947119

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-4-chloro-N-methyl-N-[[(2S)-tetrahydropyran-2-yl]methyl]benzenesulfonamide 3-amino-4-chloro-N-methyl-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)	2.22	3.91	-10.41	2	5	0	73	318.826	4	↓ MOL2 SDF SMILES Flexibase

48947120

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-4-chloro-N-methyl-N-[[(2R)-tetrahydropyran-2-yl]methyl]benzenesulfonamide 3-amino-4-chloro-N-methyl-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)	2.22	3.1	-8.47	2	5	0	73	318.826	4	↓ MOL2 SDF SMILES Flexibase

48947123

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-4-hydroxy-N-methyl-N-[[(2S)-tetrahydropyran-2-yl]methyl]benzenesulfonamide 3-amino-4-hydroxy-N-methyl-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)	1.32	0.6	-12.63	3	6	0	93	300.38	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.32	1.36	-46.06	2	6	-1	96	299.372	4	↓ MOL2 SDF SMILES Flexibase

48947124

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-4-hydroxy-N-methyl-N-[[(2R)-tetrahydropyran-2-yl]methyl]benzenesulfonamide 3-amino-4-hydroxy-N-methyl-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)	1.32	-0.21	-10.57	3	6	0	93	300.38	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.32	0.55	-42.88	2	6	-1	96	299.372	4	↓ MOL2 SDF SMILES Flexibase

48947127

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-4-fluoro-N-methyl-N-[[(2S)-tetrahydropyran-2-yl]methyl]benzenesulfonamide 3-amino-4-fluoro-N-methyl-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)	1.71	3.42	-10.67	2	5	0	73	302.371	4	↓ MOL2 SDF SMILES Flexibase

48947128

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-4-fluoro-N-methyl-N-[[(2R)-tetrahydropyran-2-yl]methyl]benzenesulfonamide 3-amino-4-fluoro-N-methyl-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)	1.71	2.61	-8.76	2	5	0	73	302.371	4	↓ MOL2 SDF SMILES Flexibase

48947131

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-4-methoxy-N-methyl-N-[[(2S)-tetrahydropyran-2-yl]methyl]benzenesulfonamide 3-amino-4-methoxy-N-methyl-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)	1.60	2.75	-12.01	2	6	0	82	314.407	5	↓ MOL2 SDF SMILES Flexibase

48947132

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-4-methoxy-N-methyl-N-[[(2R)-tetrahydropyran-2-yl]methyl]benzenesulfonamide 3-amino-4-methoxy-N-methyl-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)	1.60	1.94	-9.87	2	6	0	82	314.407	5	↓ MOL2 SDF SMILES Flexibase

48947135

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-5-chloro-N,4-dimethyl-N-[[(2S)-tetrahydropyran-2-yl]methyl]benzenesulfonamide 3-amino-5-chloro-N,4-dimethyl-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)	2.60	3.61	-8.6	2	5	0	73	332.853	4	↓ MOL2 SDF SMILES Flexibase

48947136

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-5-chloro-N,4-dimethyl-N-[[(2R)-tetrahydropyran-2-yl]methyl]benzenesulfonamide 3-amino-5-chloro-N,4-dimethyl-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)	2.60	3.86	-9.26	2	5	0	73	332.853	4	↓ MOL2 SDF SMILES Flexibase

48947137

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-methoxy-N-methyl-N-[[(2S)-tetrahydropyran-2-yl]methyl]benzenesulfonamide 5-amino-2-methoxy-N-methyl-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)	1.19	3.14	-14.02	2	6	0	82	314.407	5	↓ MOL2 SDF SMILES Flexibase

48947138

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-methoxy-N-methyl-N-[[(2R)-tetrahydropyran-2-yl]methyl]benzenesulfonamide 5-amino-2-methoxy-N-methyl-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)	1.19	2.35	-11.76	2	6	0	82	314.407	5	↓ MOL2 SDF SMILES Flexibase

48947141

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2,4-difluoro-N-methyl-N-[[(2S)-tetrahydropyran-2-yl]methyl]benzenesulfonamide 5-amino-2,4-difluoro-N-methyl-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)	1.80	3.34	-10.43	2	5	0	73	320.361	4	↓ MOL2 SDF SMILES Flexibase

48947142

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2,4-difluoro-N-methyl-N-[[(2R)-tetrahydropyran-2-yl]methyl]benzenesulfonamide 5-amino-2,4-difluoro-N-methyl-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)	1.80	2.55	-8.67	2	5	0	73	320.361	4	↓ MOL2 SDF SMILES Flexibase

48947145

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-N,4,5-trimethyl-N-[[(2S)-tetrahydropyran-2-yl]methyl]benzenesulfonamide 3-amino-N,4,5-trimethyl-N-[[(2S)…

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)	2.37	3.74	-9.12	2	5	0	73	312.435	4	↓ MOL2 SDF SMILES Flexibase

48947146

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-N,4,5-trimethyl-N-[[(2R)-tetrahydropyran-2-yl]methyl]benzenesulfonamide 3-amino-N,4,5-trimethyl-N-[[(2R)…

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)	2.37	4.42	-12.53	2	5	0	73	312.435	4	↓ MOL2 SDF SMILES Flexibase

48947147

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N,2,3-trimethyl-N-[[(2S)-tetrahydropyran-2-yl]methyl]benzenesulfonamide 5-amino-N,2,3-trimethyl-N-[[(2S)…

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)	1.96	3.77	-9.84	2	5	0	73	312.435	4	↓ MOL2 SDF SMILES Flexibase

48947148

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N,2,3-trimethyl-N-[[(2R)-tetrahydropyran-2-yl]methyl]benzenesulfonamide 5-amino-N,2,3-trimethyl-N-[[(2R)…

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)	1.96	3.95	-12.72	2	5	0	73	312.435	4	↓ MOL2 SDF SMILES Flexibase

48947151

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-4-methoxy-N-methyl-N-[[(2S)-tetrahydropyran-2-yl]methyl]benzenesulfonamide 2-amino-4-methoxy-N-methyl-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)	1.60	3.05	-12.2	2	6	0	82	314.407	5	↓ MOL2 SDF SMILES Flexibase

48947152

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-4-methoxy-N-methyl-N-[[(2R)-tetrahydropyran-2-yl]methyl]benzenesulfonamide 2-amino-4-methoxy-N-methyl-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)	1.60	2.26	-9.74	2	6	0	82	314.407	5	↓ MOL2 SDF SMILES Flexibase

48947153

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-N,4,5-trimethyl-N-[[(2S)-tetrahydropyran-2-yl]methyl]benzenesulfonamide 2-amino-N,4,5-trimethyl-N-[[(2S)…

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)	2.37	3.97	-9.12	2	5	0	73	312.435	4	↓ MOL2 SDF SMILES Flexibase

48947154

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-N,4,5-trimethyl-N-[[(2R)-tetrahydropyran-2-yl]methyl]benzenesulfonamide 2-amino-N,4,5-trimethyl-N-[[(2R)…

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)	2.37	4.23	-11.77	2	5	0	73	312.435	4	↓ MOL2 SDF SMILES Flexibase

48947155

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-N,2-dimethyl-N-[[(2S)-tetrahydropyran-2-yl]methyl]benzenesulfonamide 3-amino-N,2-dimethyl-N-[[(2S)-te…

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)	1.97	3.07	-8.69	2	5	0	73	298.408	4	↓ MOL2 SDF SMILES Flexibase

48947156

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-N,2-dimethyl-N-[[(2R)-tetrahydropyran-2-yl]methyl]benzenesulfonamide 3-amino-N,2-dimethyl-N-[[(2R)-te…

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)	1.97	3.21	-9.96	2	5	0	73	298.408	4	↓ MOL2 SDF SMILES Flexibase

48947159

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-4-chloro-N-methyl-N-[[(2S)-tetrahydropyran-2-yl]methyl]benzenesulfonamide 2-amino-4-chloro-N-methyl-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)	2.22	4.27	-10.61	2	5	0	73	318.826	4	↓ MOL2 SDF SMILES Flexibase

48947160

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-4-chloro-N-methyl-N-[[(2R)-tetrahydropyran-2-yl]methyl]benzenesulfonamide 2-amino-4-chloro-N-methyl-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)	2.22	3.48	-8.17	2	5	0	73	318.826	4	↓ MOL2 SDF SMILES Flexibase

48947161

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-fluoro-N-methyl-N-[[(2S)-tetrahydropyran-2-yl]methyl]benzenesulfonamide 5-amino-2-fluoro-N-methyl-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)	1.30	3.25	-12.69	2	5	0	73	302.371	4	↓ MOL2 SDF SMILES Flexibase

48947162

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-fluoro-N-methyl-N-[[(2R)-tetrahydropyran-2-yl]methyl]benzenesulfonamide 5-amino-2-fluoro-N-methyl-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)	1.30	2.46	-10.68	2	5	0	73	302.371	4	↓ MOL2 SDF SMILES Flexibase

48947163

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-ethyl-N-methyl-N-[[(2S)-tetrahydropyran-2-yl]methyl]benzenesulfonamide 5-amino-2-ethyl-N-methyl-N-[[(2S…

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)	2.05	4.2	-9.3	2	5	0	73	312.435	5	↓ MOL2 SDF SMILES Flexibase

48947164

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-ethyl-N-methyl-N-[[(2R)-tetrahydropyran-2-yl]methyl]benzenesulfonamide 5-amino-2-ethyl-N-methyl-N-[[(2R…

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)	2.05	4.35	-12.14	2	5	0	73	312.435	5	↓ MOL2 SDF SMILES Flexibase

48947165

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-4,6-dichloro-N-methyl-N-[[(2S)-tetrahydropyran-2-yl]methyl]benzenesulfonamide 2-amino-4,6-dichloro-N-methyl-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)	2.83	4.91	-9.53	2	5	0	73	353.271	4	↓ MOL2 SDF SMILES Flexibase

48947166

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-4,6-dichloro-N-methyl-N-[[(2R)-tetrahydropyran-2-yl]methyl]benzenesulfonamide 2-amino-4,6-dichloro-N-methyl-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)	2.83	4.18	-7.13	2	5	0	73	353.271	4	↓ MOL2 SDF SMILES Flexibase

48947169

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-N,5-dimethyl-N-[[(2S)-tetrahydropyran-2-yl]methyl]benzenesulfonamide 3-amino-N,5-dimethyl-N-[[(2S)-te…

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	3.06	-8.79	2	5	0	73	298.408	4	↓ MOL2 SDF SMILES Flexibase

48947170

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-N,5-dimethyl-N-[[(2R)-tetrahydropyran-2-yl]methyl]benzenesulfonamide 3-amino-N,5-dimethyl-N-[[(2R)-te…

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	3.31	-9.66	2	5	0	73	298.408	4	↓ MOL2 SDF SMILES Flexibase

48947177

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-2-bromo-N-methyl-N-[[(2S)-tetrahydropyran-2-yl]methyl]benzenesulfonamide 4-amino-2-bromo-N-methyl-N-[[(2S…

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	3.63	-11.86	2	5	0	73	363.277	4	↓ MOL2 SDF SMILES Flexibase

48947178

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-2-bromo-N-methyl-N-[[(2R)-tetrahydropyran-2-yl]methyl]benzenesulfonamide 4-amino-2-bromo-N-methyl-N-[[(2R…

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	2.84	-9.9	2	5	0	73	363.277	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 541550
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 = 541550 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=541550&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": "541550"        

    });
</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