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

19989396

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(aminomethyl)phenyl]-N-(4-hydroxycyclohexyl)methanesulfonamide 1-[4-(aminomethyl)phenyl]-N-(4-h…

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)	0.54	-0.61	-58.14	5	5	1	94	299.416	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.54	-1	-15.28	4	5	0	92	298.408	5	↓ MOL2 SDF SMILES Flexibase

19993786

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(aminomethyl)phenyl]-N-[(1S,2R)-2-methylcyclohexyl]methanesulfonamide 1-[2-(aminomethyl)phenyl]-N-[(1S…

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)	2.35	4.25	-42.19	4	4	1	74	297.444	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.35	3.86	-11.84	3	4	0	72	296.436	5	↓ MOL2 SDF SMILES Flexibase

19993788

Analogs

52287462
52287465
52287467
52287470

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(aminomethyl)phenyl]-N-[(1S,2S)-2-methylcyclohexyl]methanesulfonamide 1-[2-(aminomethyl)phenyl]-N-[(1S…

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)	2.35	3.56	-59.02	4	4	1	74	297.444	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.35	3.18	-11.83	3	4	0	72	296.436	5	↓ MOL2 SDF SMILES Flexibase

19993790

Analogs

21816075
36785527
36787455
36787456
36790804

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(aminomethyl)phenyl]-N-[(1R,2R)-2-methylcyclohexyl]methanesulfonamide 1-[2-(aminomethyl)phenyl]-N-[(1R…

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)	2.35	3.51	-58.12	4	4	1	74	297.444	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.35	3.13	-11.86	3	4	0	72	296.436	5	↓ MOL2 SDF SMILES Flexibase

19993792

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(aminomethyl)phenyl]-N-[(1R,2S)-2-methylcyclohexyl]methanesulfonamide 1-[2-(aminomethyl)phenyl]-N-[(1R…

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)	2.35	3.71	-58.3	4	4	1	74	297.444	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.35	3.33	-11.62	3	4	0	72	296.436	5	↓ MOL2 SDF SMILES Flexibase

19996353

Analogs

38005176

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(4-hydroxycyclohexyl)sulfamoylmethyl]benzenecarbothioamide 4-[(4-hydroxycyclohexyl)sulfamoy…

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)	1.15	0.6	-26.52	4	5	0	92	328.459	5	↓ MOL2 SDF SMILES Flexibase

20001379

Analogs

21013971
21013972
21013973

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-aminophenyl)-N-cyclohexyl-N-ethyl-methanesulfonamide 1-(4-aminophenyl)-N-cyclohexyl-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)	2.67	4.97	-12.09	2	4	0	63	296.436	5	↓ MOL2 SDF SMILES Flexibase

36880776

Analogs

29839

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-aminocyclohexyl)-1-phenyl-methanesulfonamide N-(4-aminocyclohexyl)-1-phenyl-m…

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	1.94	-55.94	4	4	1	74	269.39	4	↓ MOL2 SDF SMILES Flexibase

36880820

Analogs

29833

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(methylamino)cyclohexyl]-1-phenyl-methanesulfonamide N-[4-(methylamino)cyclohexyl]-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)	1.77	3.63	-51.1	3	4	1	63	283.417	5	↓ MOL2 SDF SMILES Flexibase

36880862

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(ethylamino)cyclohexyl]-1-phenyl-methanesulfonamide N-[4-(ethylamino)cyclohexyl]-1-p…

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)	2.15	4.7	-50.2	3	4	1	63	297.444	6	↓ MOL2 SDF SMILES Flexibase

36880897

Analogs

29859

Draw Identity 99% 90% 80% 70%

Popular Name: 1-phenyl-N-[4-(propylamino)cyclohexyl]methanesulfonamide 1-phenyl-N-[4-(propylamino)cyclo…

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)	2.65	5.45	-51.14	3	4	1	63	311.471	7	↓ MOL2 SDF SMILES Flexibase

22760260

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-phenyl-N-[4-(trifluoromethyl)cyclohexyl]methanesulfonamide 1-phenyl-N-[4-(trifluoromethyl)c…

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	5.62	-12.65	1	3	0	46	321.364	5	↓ MOL2 SDF SMILES Flexibase

13668804

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-methanesulfonamide 1-(4-chlorophenyl)-N-[(1R,2R)-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)	2.75	3.76	-10.8	1	4	0	58	317.838	4	↓ MOL2 SDF SMILES Flexibase

13669100

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-chloro-6-fluoro-phenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-methanesulfonamide 1-(2-chloro-6-fluoro-phenyl)-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)	2.81	3.73	-11.93	1	4	0	58	335.828	4	↓ MOL2 SDF SMILES Flexibase

13669805

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-methanesulfonamide 1-(2-chlorophenyl)-N-[(1R,2R)-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)	2.70	3.7	-11.65	1	4	0	58	317.838	4	↓ MOL2 SDF SMILES Flexibase

13670821

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-bromophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-methanesulfonamide 1-(4-bromophenyl)-N-[(1R,2R)-2-h…

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)	2.88	3.87	-10.74	1	4	0	58	362.289	4	↓ MOL2 SDF SMILES Flexibase

13670849

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,4-dichlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-methanesulfonamide 1-(2,4-dichlorophenyl)-N-[(1R,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)	3.35	4.15	-13.06	1	4	0	58	352.283	4	↓ MOL2 SDF SMILES Flexibase

68876731

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-fluorophenyl)-N-methyl-N-[(1S,2R)-2-methylcyclohexyl]methanesulfonamide 1-(3-fluorophenyl)-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)	3.60	7.02	-11.26	0	3	0	37	299.411	4	↓ MOL2 SDF SMILES Flexibase

68876735

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-fluorophenyl)-N-methyl-N-[(1S,2S)-2-methylcyclohexyl]methanesulfonamide 1-(3-fluorophenyl)-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)	3.60	7.23	-11.04	0	3	0	37	299.411	4	↓ MOL2 SDF SMILES Flexibase

68876740

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-fluorophenyl)-N-methyl-N-[(1R,2R)-2-methylcyclohexyl]methanesulfonamide 1-(3-fluorophenyl)-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)	3.60	7.43	-11.04	0	3	0	37	299.411	4	↓ MOL2 SDF SMILES Flexibase

68876744

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-fluorophenyl)-N-methyl-N-[(1R,2S)-2-methylcyclohexyl]methanesulfonamide 1-(3-fluorophenyl)-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)	3.60	6.67	-9.52	0	3	0	37	299.411	4	↓ MOL2 SDF SMILES Flexibase

68882015

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-1-[(3-fluorophenyl)methylsulfonylamino]cyclohexanecarboxamide N-ethyl-1-[(3-fluorophenyl)methy…

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)	2.66	4.79	-14.46	2	5	0	75	342.436	6	↓ MOL2 SDF SMILES Flexibase

13675237

Analogs

10544285
10544286

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-1-(p-tolyl)methanesulfonamide N-[(1R,2R)-2-hydroxycyclohexyl]-…

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	3.92	-11.37	1	4	0	58	297.42	4	↓ MOL2 SDF SMILES Flexibase

13676220

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-methanesulfonamide 1-(3-chlorophenyl)-N-[(1R,2R)-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)	2.72	3.74	-14.14	1	4	0	58	317.838	4	↓ MOL2 SDF SMILES Flexibase

13682468

Analogs

33735906
33748724
33748726
39975125

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclohexyl-1-(2,6-dichlorophenyl)methanesulfonamide N-cyclohexyl-1-(2,6-dichlorophen…

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)	4.23	5.6	-9.11	1	3	0	46	322.257	4	↓ MOL2 SDF SMILES Flexibase

16577160

Analogs

16578385

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclohexyl-1-(2-fluorophenyl)methanesulfonamide N-cyclohexyl-1-(2-fluorophenyl)m…

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)	3.09	4.81	-11.44	1	3	0	46	271.357	4	↓ MOL2 SDF SMILES Flexibase

16577433

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-chloro-6-fluoro-phenyl)-N-cyclohexyl-methanesulfonamide 1-(2-chloro-6-fluoro-phenyl)-N-c…

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)	3.72	5.17	-10.22	1	3	0	46	305.802	4	↓ MOL2 SDF SMILES Flexibase

16577792

Analogs

16579285
16725887
16726661
16726662
21795873

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclohexyl-1-(p-tolyl)methanesulfonamide N-cyclohexyl-1-(p-tolyl)methanes…

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)	3.42	5.37	-10.37	1	3	0	46	267.394	4	↓ MOL2 SDF SMILES Flexibase

16578642

Analogs

14291513

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-chlorophenyl)-N-cyclohexyl-methanesulfonamide 1-(3-chlorophenyl)-N-cyclohexyl-…

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)	3.63	5.29	-11	1	3	0	46	287.812	4	↓ MOL2 SDF SMILES Flexibase

16578661

Analogs

16578927
36983888

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclohexyl-1-(m-tolyl)methanesulfonamide N-cyclohexyl-1-(m-tolyl)methanes…

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)	3.40	5.37	-10.36	1	3	0	46	267.394	4	↓ MOL2 SDF SMILES Flexibase

16578901

Analogs

25365967
25365971
25365975
25365979
12819732

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclohexyl-1-(4-fluorophenyl)methanesulfonamide N-cyclohexyl-1-(4-fluorophenyl)m…

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)	3.14	4.77	-10.93	1	3	0	46	271.357	4	↓ MOL2 SDF SMILES Flexibase

55482540

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-cyanophenyl)-N-methyl-N-[(1S,2R)-2-methylcyclohexyl]methanesulfonamide 1-(4-cyanophenyl)-N-methyl-N-[(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)	3.21	7.35	-13.01	0	4	0	61	306.431	4	↓ MOL2 SDF SMILES Flexibase

55482541

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-cyanophenyl)-N-methyl-N-[(1S,2S)-2-methylcyclohexyl]methanesulfonamide 1-(4-cyanophenyl)-N-methyl-N-[(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)	3.21	7.55	-12.58	0	4	0	61	306.431	4	↓ MOL2 SDF SMILES Flexibase

55482544

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-cyanophenyl)-N-methyl-N-[(1R,2R)-2-methylcyclohexyl]methanesulfonamide 1-(4-cyanophenyl)-N-methyl-N-[(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)	3.21	7.75	-12.72	0	4	0	61	306.431	4	↓ MOL2 SDF SMILES Flexibase

55482548

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-cyanophenyl)-N-methyl-N-[(1R,2S)-2-methylcyclohexyl]methanesulfonamide 1-(4-cyanophenyl)-N-methyl-N-[(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)	3.21	6.98	-11.08	0	4	0	61	306.431	4	↓ MOL2 SDF SMILES Flexibase

55482557

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-cyanophenyl)-N-methyl-N-[(1S,2R)-2-methylcyclohexyl]methanesulfonamide 1-(2-cyanophenyl)-N-methyl-N-[(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)	3.17	7.17	-13.24	0	4	0	61	306.431	4	↓ MOL2 SDF SMILES Flexibase

55482558

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-cyanophenyl)-N-methyl-N-[(1S,2S)-2-methylcyclohexyl]methanesulfonamide 1-(2-cyanophenyl)-N-methyl-N-[(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)	3.17	7.38	-13.86	0	4	0	61	306.431	4	↓ MOL2 SDF SMILES Flexibase

55482562

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-cyanophenyl)-N-methyl-N-[(1R,2R)-2-methylcyclohexyl]methanesulfonamide 1-(2-cyanophenyl)-N-methyl-N-[(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)	3.17	7.58	-13.44	0	4	0	61	306.431	4	↓ MOL2 SDF SMILES Flexibase

55482564

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-cyanophenyl)-N-methyl-N-[(1R,2S)-2-methylcyclohexyl]methanesulfonamide 1-(2-cyanophenyl)-N-methyl-N-[(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)	3.17	6.6	-9.92	0	4	0	61	306.431	4	↓ MOL2 SDF SMILES Flexibase

40347551

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-aminophenyl)-N-(4-ethylcyclohexyl)-N-methyl-methanesulfonamide 1-(4-aminophenyl)-N-(4-ethylcycl…

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)	2.75	5.61	-11.16	2	4	0	63	310.463	5	↓ MOL2 SDF SMILES Flexibase

40347554

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-aminophenyl)-N-(4-ethylcyclohexyl)-N-methyl-methanesulfonamide 1-(3-aminophenyl)-N-(4-ethylcycl…

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)	2.73	5.6	-11.1	2	4	0	63	310.463	5	↓ MOL2 SDF SMILES Flexibase

40348784

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(4-aminophenyl)methylsulfonylamino]cyclohexanecarboxamide 4-[(4-aminophenyl)methylsulfonyl…

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)	0.18	-0.75	-17.87	5	6	0	115	311.407	5	↓ MOL2 SDF SMILES Flexibase

40348788

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3-aminophenyl)methylsulfonylamino]cyclohexanecarboxamide 4-[(3-aminophenyl)methylsulfonyl…

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)	0.15	-0.76	-17.91	5	6	0	115	311.407	5	↓ MOL2 SDF SMILES Flexibase

70110827

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-aminophenyl)-N-[(1S,2R,4R)-2,4-dimethylcyclohexyl]methanesulfonamide 1-(4-aminophenyl)-N-[(1S,2R,4R)-…

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)	2.30	4.18	-11.37	3	4	0	72	296.436	4	↓ MOL2 SDF SMILES Flexibase

70110828

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-aminophenyl)-N-[(1S,2R,4S)-2,4-dimethylcyclohexyl]methanesulfonamide 1-(4-aminophenyl)-N-[(1S,2R,4S)-…

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)	2.30	3.69	-11.14	3	4	0	72	296.436	4	↓ MOL2 SDF SMILES Flexibase

70110829

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-aminophenyl)-N-[(1R,2R,4R)-2,4-dimethylcyclohexyl]methanesulfonamide 1-(4-aminophenyl)-N-[(1R,2R,4R)-…

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)	2.30	3.88	-11.05	3	4	0	72	296.436	4	↓ MOL2 SDF SMILES Flexibase

70110830

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-aminophenyl)-N-[(1R,2R,4S)-2,4-dimethylcyclohexyl]methanesulfonamide 1-(4-aminophenyl)-N-[(1R,2R,4S)-…

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)	2.30	3.65	-10.99	3	4	0	72	296.436	4	↓ MOL2 SDF SMILES Flexibase

70110923

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-aminophenyl)-N-[(1S,2R,4R)-2,4-dimethylcyclohexyl]methanesulfonamide 1-(3-aminophenyl)-N-[(1S,2R,4R)-…

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	4.17	-11.35	3	4	0	72	296.436	4	↓ MOL2 SDF SMILES Flexibase

70110924

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-aminophenyl)-N-[(1S,2R,4S)-2,4-dimethylcyclohexyl]methanesulfonamide 1-(3-aminophenyl)-N-[(1S,2R,4S)-…

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	3.68	-11.14	3	4	0	72	296.436	4	↓ MOL2 SDF SMILES Flexibase

70110925

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-aminophenyl)-N-[(1R,2R,4R)-2,4-dimethylcyclohexyl]methanesulfonamide 1-(3-aminophenyl)-N-[(1R,2R,4R)-…

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	3.87	-10.97	3	4	0	72	296.436	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 54510
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 = 54510 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=54510&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": "54510"        

    });
</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