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

40333382

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-N-[(1S)-1-cyclopropylethyl]-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide 3-amino-N-[(1S)-1-cyclopropyleth…

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)	1.36	2.68	-11.44	2	6	0	81	326.344	6	↓ MOL2 SDF SMILES Flexibase

40333383

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-N-[(1R)-1-cyclopropylethyl]-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide 3-amino-N-[(1R)-1-cyclopropyleth…

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)	1.36	2.84	-11.52	2	6	0	81	326.344	6	↓ MOL2 SDF SMILES Flexibase

68948358

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopropylmethyl)-N-ethyl-1H-pyrazole-4-sulfonamide N-(cyclopropylmethyl)-N-ethyl-1H…

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	2.17	-10.45	1	5	0	66	229.305	5	↓ MOL2 SDF SMILES Flexibase

68948359

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopropylmethyl)-N-ethyl-5-methyl-1H-pyrazole-4-sulfonamide N-(cyclopropylmethyl)-N-ethyl-5-…

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)	1.03	2.54	-10.49	1	5	0	66	243.332	5	↓ MOL2 SDF SMILES Flexibase

69236912

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-N-(cyclopropylmethyl)-N-ethyl-1-methyl-pyrazole-4-sulfonamide 3-amino-N-(cyclopropylmethyl)-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)	0.48	2.35	-10.98	2	6	0	81	258.347	5	↓ MOL2 SDF SMILES Flexibase

69236966

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-N-(cyclopropylmethyl)-N-ethyl-1-propyl-pyrazole-4-sulfonamide 3-amino-N-(cyclopropylmethyl)-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)	1.36	4.22	-10.63	2	6	0	81	286.401	7	↓ MOL2 SDF SMILES Flexibase

69236981

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-N-(cyclopropylmethyl)-N,1-diethyl-pyrazole-4-sulfonamide 3-amino-N-(cyclopropylmethyl)-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)	0.86	3.46	-11.02	2	6	0	81	272.374	6	↓ MOL2 SDF SMILES Flexibase

69237474

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[4-[cyclopropylmethyl(ethyl)sulfamoyl]pyrazol-1-yl]propanoic 3-[4-[cyclopropylmethyl(ethyl)su…

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)	0.39	5.01	-46.39	0	7	-1	95	300.36	8	↓ MOL2 SDF SMILES Flexibase

69237479

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[cyclopropylmethyl(ethyl)sulfamoyl]pyrazol-1-yl]acetic 2-[4-[cyclopropylmethyl(ethyl)su…

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)	0.12	4.46	-51.26	0	7	-1	95	286.333	7	↓ MOL2 SDF SMILES Flexibase

69237577

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[cyclopropylmethyl(ethyl)sulfamoyl]-3,5-dimethyl-pyrazol-1-yl]acetic 2-[4-[cyclopropylmethyl(ethyl)su…

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)	0.56	5.57	-47.06	0	7	-1	95	314.387	7	↓ MOL2 SDF SMILES Flexibase

69239916

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopropylmethyl)-N-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide N-(cyclopropylmethyl)-N-ethyl-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)	1.25	3.35	-9.52	1	5	0	66	257.359	5	↓ MOL2 SDF SMILES Flexibase

69982370

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-cyclopropylethyl]-1,3,5-trimethyl-pyrazole-4-sulfonamide N-[(1S)-1-cyclopropylethyl]-1,3,…

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)	1.03	2.58	-10.76	1	5	0	64	257.359	4	↓ MOL2 SDF SMILES Flexibase

69982371

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-cyclopropylethyl]-1,3,5-trimethyl-pyrazole-4-sulfonamide N-[(1R)-1-cyclopropylethyl]-1,3,…

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)	1.03	2.53	-10.71	1	5	0	64	257.359	4	↓ MOL2 SDF SMILES Flexibase

49239393

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-1,3-dimethyl-N-[[(1R,2S)-2-methylcyclopropyl]methyl]pyrazole-4-sulfonamide 5-chloro-1,3-dimethyl-N-[[(1R,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)	1.89	2.55	-8.55	1	5	0	64	277.777	4	↓ MOL2 SDF SMILES Flexibase

49239395

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-1,3-dimethyl-N-[[(1S,2S)-2-methylcyclopropyl]methyl]pyrazole-4-sulfonamide 5-chloro-1,3-dimethyl-N-[[(1S,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)	1.89	2.62	-8.43	1	5	0	64	277.777	4	↓ MOL2 SDF SMILES Flexibase

49239397

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-1,3-dimethyl-N-[[(1R,2R)-2-methylcyclopropyl]methyl]pyrazole-4-sulfonamide 5-chloro-1,3-dimethyl-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)	1.89	2.62	-8.5	1	5	0	64	277.777	4	↓ MOL2 SDF SMILES Flexibase

49239399

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-1,3-dimethyl-N-[[(1S,2R)-2-methylcyclopropyl]methyl]pyrazole-4-sulfonamide 5-chloro-1,3-dimethyl-N-[[(1S,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)	1.89	2.55	-8.39	1	5	0	64	277.777	4	↓ MOL2 SDF SMILES Flexibase

49239486

Analogs

42477096
42477098
42477100

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1S,2R)-2-methylcyclopropyl]methyl]-1H-pyrazole-4-sulfonamide N-[[(1S,2R)-2-methylcyclopropyl]…

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)	0.80	0.06	-10.89	2	5	0	75	215.278	4	↓ MOL2 SDF SMILES Flexibase

49239488

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1S,2S)-2-methylcyclopropyl]methyl]-1H-pyrazole-4-sulfonamide N-[[(1S,2S)-2-methylcyclopropyl]…

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)	0.80	0.14	-10.94	2	5	0	75	215.278	4	↓ MOL2 SDF SMILES Flexibase

49239490

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1R,2R)-2-methylcyclopropyl]methyl]-1H-pyrazole-4-sulfonamide N-[[(1R,2R)-2-methylcyclopropyl]…

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)	0.80	0.15	-11.02	2	5	0	75	215.278	4	↓ MOL2 SDF SMILES Flexibase

49239492

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1R,2S)-2-methylcyclopropyl]methyl]-1H-pyrazole-4-sulfonamide N-[[(1R,2S)-2-methylcyclopropyl]…

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)	0.80	0.08	-11.05	2	5	0	75	215.278	4	↓ MOL2 SDF SMILES Flexibase

49282283

Analogs

37840399

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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)	0.67	3.42	-11.27	1	7	0	92	287.341	8	↓ MOL2 SDF SMILES Flexibase

37730456

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-cyclopropyl-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]propanoic (2S)-2-cyclopropyl-2-[(5-methyl-…

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	1.1	-56.92	2	7	-1	115	272.306	5	↓ MOL2 SDF SMILES Flexibase

37730457

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-cyclopropyl-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]propanoic (2R)-2-cyclopropyl-2-[(5-methyl-…

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	1.21	-58.41	2	7	-1	115	272.306	5	↓ MOL2 SDF SMILES Flexibase

37730479

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[cyclopropylmethyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]acetic 2-[cyclopropylmethyl-[(5-methyl-…

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)	-1.01	2.58	-45.52	1	7	-1	106	272.306	6	↓ MOL2 SDF SMILES Flexibase

37730818

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopropylmethyl)-5-methyl-1H-pyrazole-4-sulfonamide N-(cyclopropylmethyl)-5-methyl-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)	0.41	0.07	-10.98	2	5	0	75	215.278	4	↓ MOL2 SDF SMILES Flexibase

37837715

Analogs

35658896
21948704
32917966

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[4-[cyclopropylmethyl(methyl)sulfamoyl]-3,5-dimethyl-pyrazol-1-yl]propanoic 3-[4-[cyclopropylmethyl(methyl)s…

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)	0.46	5.56	-45.52	0	7	-1	95	314.387	7	↓ MOL2 SDF SMILES Flexibase

37840100

Analogs

37840384
37840388
37840436
42302369
48904677

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-cyclopropylethyl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide N-[(1S)-1-cyclopropylethyl]-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)	1.69	2.16	-10.36	1	5	0	66	297.302	6	↓ MOL2 SDF SMILES Flexibase

37840101

Analogs

37840384
37840388
37840436
42302369
48904677

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-cyclopropylethyl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide N-[(1R)-1-cyclopropylethyl]-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)	1.69	2.65	-13.34	1	5	0	66	297.302	6	↓ MOL2 SDF SMILES Flexibase

37840102

Analogs

37505134
37505133
35175226
35175229
36200438

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-cyclopropylethyl]-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide N-[(1S)-1-cyclopropylethyl]-3,5-…

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)	2.13	4.15	-12.06	1	5	0	66	325.356	6	↓ MOL2 SDF SMILES Flexibase

37840103

Analogs

37505134
37505133
35175226
35175229
36200438

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-cyclopropylethyl]-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide N-[(1R)-1-cyclopropylethyl]-3,5-…

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)	2.13	3.49	-9.98	1	5	0	66	325.356	6	↓ MOL2 SDF SMILES Flexibase

37840106

Analogs

35207481
35207480

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-cyclopropylethyl]-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide N-[(1S)-1-cyclopropylethyl]-5-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)	1.91	2.92	-13.87	1	5	0	66	311.329	6	↓ MOL2 SDF SMILES Flexibase

37840107

Analogs

35207481
35207480

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-cyclopropylethyl]-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide N-[(1R)-1-cyclopropylethyl]-5-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)	1.91	3.21	-13.22	1	5	0	66	311.329	6	↓ MOL2 SDF SMILES Flexibase

37840503

Analogs

37840634
48904677
48904679
37840392
37840400

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-cyclopropylethyl]-N-(2-methoxyethyl)-1H-pyrazole-4-sulfonamide N-[(1S)-1-cyclopropylethyl]-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)	0.75	2.51	-12.04	1	6	0	75	273.358	7	↓ MOL2 SDF SMILES Flexibase

37840504

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-cyclopropylethyl]-N-(2-methoxyethyl)-1H-pyrazole-4-sulfonamide N-[(1R)-1-cyclopropylethyl]-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)	0.75	2.59	-12.33	1	6	0	75	273.358	7	↓ MOL2 SDF SMILES Flexibase

37840505

Analogs

36327746
21949971
36130933
32111122

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-cyclopropylethyl]-N-(2-methoxyethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide N-[(1S)-1-cyclopropylethyl]-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)	1.19	3.56	-9.51	1	6	0	75	301.412	7	↓ MOL2 SDF SMILES Flexibase

37840506

Analogs

36327746
21949971
36130933
32111122

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-cyclopropylethyl]-N-(2-methoxyethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide N-[(1R)-1-cyclopropylethyl]-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)	1.19	3.12	-9.17	1	6	0	75	301.412	7	↓ MOL2 SDF SMILES Flexibase

37840509

Analogs

36327747
21949971
36130933
32111122

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-cyclopropylethyl]-N-(2-methoxyethyl)-5-methyl-1H-pyrazole-4-sulfonamide N-[(1S)-1-cyclopropylethyl]-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)	0.97	2.31	-12.06	1	6	0	75	287.385	7	↓ MOL2 SDF SMILES Flexibase

37840510

Analogs

36327747
21949971
36130933
32111122

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-cyclopropylethyl]-N-(2-methoxyethyl)-5-methyl-1H-pyrazole-4-sulfonamide N-[(1R)-1-cyclopropylethyl]-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)	0.97	2.33	-11.69	1	6	0	75	287.385	7	↓ MOL2 SDF SMILES Flexibase

37840575

Analogs

37840288

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopropylmethyl)-N-methyl-1H-pyrazole-4-sulfonamide N-(cyclopropylmethyl)-N-methyl-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)	0.43	1.37	-10.95	1	5	0	66	215.278	4	↓ MOL2 SDF SMILES Flexibase

37840576

Analogs

37172123
21949290
21950277

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopropylmethyl)-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide N-(cyclopropylmethyl)-N,3,5-trim…

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)	0.87	2.84	-9.77	1	5	0	66	243.332	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 15407
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 = 15407 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=15407&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": "15407"        

    });
</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