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

29756604

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(cyclopropylmethylsulfamoyl)-N-prop-2-ynyl-benzamide 3-(cyclopropylmethylsulfamoyl)-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)	1.21	2.81	-17.99	2	5	0	75	292.36	6	↓ MOL2 SDF SMILES Flexibase

32472889

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1S,2R)-2-methylcyclopropyl]methyl]-2-(trifluoromethyl)benzenesulfonamide 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)	3.33	5.41	-9.5	1	3	0	46	293.31	5	↓ MOL2 SDF SMILES Flexibase

32472892

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1S,2S)-2-methylcyclopropyl]methyl]-2-(trifluoromethyl)benzenesulfonamide 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)	3.33	5.48	-9.58	1	3	0	46	293.31	5	↓ MOL2 SDF SMILES Flexibase

32472896

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1R,2R)-2-methylcyclopropyl]methyl]-2-(trifluoromethyl)benzenesulfonamide 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)	3.33	5.44	-9.74	1	3	0	46	293.31	5	↓ MOL2 SDF SMILES Flexibase

32472898

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1R,2S)-2-methylcyclopropyl]methyl]-2-(trifluoromethyl)benzenesulfonamide 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)	3.33	5.38	-9.75	1	3	0	46	293.31	5	↓ MOL2 SDF SMILES Flexibase

32472918

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1S,2R)-2-methylcyclopropyl]methyl]-3-(trifluoromethyl)benzenesulfonamide 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)	3.36	4.89	-9.5	1	3	0	46	293.31	5	↓ MOL2 SDF SMILES Flexibase

32472921

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1S,2S)-2-methylcyclopropyl]methyl]-3-(trifluoromethyl)benzenesulfonamide 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)	3.36	4.98	-9.77	1	3	0	46	293.31	5	↓ MOL2 SDF SMILES Flexibase

32472925

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1R,2R)-2-methylcyclopropyl]methyl]-3-(trifluoromethyl)benzenesulfonamide 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)	3.36	4.92	-9.99	1	3	0	46	293.31	5	↓ MOL2 SDF SMILES Flexibase

32472928

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1R,2S)-2-methylcyclopropyl]methyl]-3-(trifluoromethyl)benzenesulfonamide 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)	3.36	4.88	-9.89	1	3	0	46	293.31	5	↓ MOL2 SDF SMILES Flexibase

32472932

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,5-dichloro-N-[[(1S,2R)-2-methylcyclopropyl]methyl]benzenesulfonamide 2,5-dichloro-N-[[(1S,2R)-2-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)	3.77	4.46	-8.36	1	3	0	46	294.203	4	↓ MOL2 SDF SMILES Flexibase

32472935

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,5-dichloro-N-[[(1S,2S)-2-methylcyclopropyl]methyl]benzenesulfonamide 2,5-dichloro-N-[[(1S,2S)-2-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)	3.77	4.53	-8.35	1	3	0	46	294.203	4	↓ MOL2 SDF SMILES Flexibase

32472938

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,5-dichloro-N-[[(1R,2R)-2-methylcyclopropyl]methyl]benzenesulfonamide 2,5-dichloro-N-[[(1R,2R)-2-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)	3.77	4.5	-8.64	1	3	0	46	294.203	4	↓ MOL2 SDF SMILES Flexibase

32472942

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,5-dichloro-N-[[(1R,2S)-2-methylcyclopropyl]methyl]benzenesulfonamide 2,5-dichloro-N-[[(1R,2S)-2-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)	3.77	4.43	-8.8	1	3	0	46	294.203	4	↓ MOL2 SDF SMILES Flexibase

32472945

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4-difluoro-N-[[(1S,2R)-2-methylcyclopropyl]methyl]benzenesulfonamide 3,4-difluoro-N-[[(1S,2R)-2-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)	2.74	4.01	-9.37	1	3	0	46	261.293	4	↓ MOL2 SDF SMILES Flexibase

32472949

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4-difluoro-N-[[(1S,2S)-2-methylcyclopropyl]methyl]benzenesulfonamide 3,4-difluoro-N-[[(1S,2S)-2-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)	2.74	4.08	-9.55	1	3	0	46	261.293	4	↓ MOL2 SDF SMILES Flexibase

32472952

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4-difluoro-N-[[(1R,2R)-2-methylcyclopropyl]methyl]benzenesulfonamide 3,4-difluoro-N-[[(1R,2R)-2-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)	2.74	4.04	-10.06	1	3	0	46	261.293	4	↓ MOL2 SDF SMILES Flexibase

32472955

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4-difluoro-N-[[(1R,2S)-2-methylcyclopropyl]methyl]benzenesulfonamide 3,4-difluoro-N-[[(1R,2S)-2-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)	2.74	3.98	-9.7	1	3	0	46	261.293	4	↓ MOL2 SDF SMILES Flexibase

32472985

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4,6-trimethyl-N-[[(1S,2R)-2-methylcyclopropyl]methyl]benzenesulfonamide 2,4,6-trimethyl-N-[[(1S,2R)-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)	3.69	5.94	-8.1	1	3	0	46	267.394	4	↓ MOL2 SDF SMILES Flexibase

32472990

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4,6-trimethyl-N-[[(1S,2S)-2-methylcyclopropyl]methyl]benzenesulfonamide 2,4,6-trimethyl-N-[[(1S,2S)-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)	3.69	6.19	-8.21	1	3	0	46	267.394	4	↓ MOL2 SDF SMILES Flexibase

32472994

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4,6-trimethyl-N-[[(1R,2R)-2-methylcyclopropyl]methyl]benzenesulfonamide 2,4,6-trimethyl-N-[[(1R,2R)-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)	3.69	6.15	-8.38	1	3	0	46	267.394	4	↓ MOL2 SDF SMILES Flexibase

32472995

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4,6-trimethyl-N-[[(1R,2S)-2-methylcyclopropyl]methyl]benzenesulfonamide 2,4,6-trimethyl-N-[[(1R,2S)-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)	3.69	5.91	-8.43	1	3	0	46	267.394	4	↓ MOL2 SDF SMILES Flexibase

32473021

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-N-[[(1S,2R)-2-methylcyclopropyl]methyl]benzenesulfonamide 3-fluoro-N-[[(1S,2R)-2-methylcyc…

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	3.96	-9.34	1	3	0	46	243.303	4	↓ MOL2 SDF SMILES Flexibase

32473024

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-N-[[(1S,2S)-2-methylcyclopropyl]methyl]benzenesulfonamide 3-fluoro-N-[[(1S,2S)-2-methylcyc…

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	4.03	-9.63	1	3	0	46	243.303	4	↓ MOL2 SDF SMILES Flexibase

32473027

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-N-[[(1R,2R)-2-methylcyclopropyl]methyl]benzenesulfonamide 3-fluoro-N-[[(1R,2R)-2-methylcyc…

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	3.99	-9.78	1	3	0	46	243.303	4	↓ MOL2 SDF SMILES Flexibase

32473030

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-N-[[(1R,2S)-2-methylcyclopropyl]methyl]benzenesulfonamide 3-fluoro-N-[[(1R,2S)-2-methylcyc…

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	3.93	-10.09	1	3	0	46	243.303	4	↓ MOL2 SDF SMILES Flexibase

32473033

Analogs

42477173
42477175
42477177
42477179

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-N-[[(1S,2R)-2-methylcyclopropyl]methyl]benzenesulfonamide 4-fluoro-N-[[(1S,2R)-2-methylcyc…

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	3.96	-8.62	1	3	0	46	243.303	4	↓ MOL2 SDF SMILES Flexibase

32473036

Analogs

42477173
42477175
42477177
42477179

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-N-[[(1S,2S)-2-methylcyclopropyl]methyl]benzenesulfonamide 4-fluoro-N-[[(1S,2S)-2-methylcyc…

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	4.03	-8.67	1	3	0	46	243.303	4	↓ MOL2 SDF SMILES Flexibase

32473039

Analogs

42477173
42477175
42477177
42477179

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-N-[[(1R,2R)-2-methylcyclopropyl]methyl]benzenesulfonamide 4-fluoro-N-[[(1R,2R)-2-methylcyc…

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	3.99	-9	1	3	0	46	243.303	4	↓ MOL2 SDF SMILES Flexibase

32473041

Analogs

42477173
42477175
42477177
42477179

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-N-[[(1R,2S)-2-methylcyclopropyl]methyl]benzenesulfonamide 4-fluoro-N-[[(1R,2S)-2-methylcyc…

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	3.92	-9.01	1	3	0	46	243.303	4	↓ MOL2 SDF SMILES Flexibase

32473045

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-difluoro-N-[[(1S,2R)-2-methylcyclopropyl]methyl]benzenesulfonamide 2,4-difluoro-N-[[(1S,2R)-2-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)	2.74	3.71	-8.67	1	3	0	46	261.293	4	↓ MOL2 SDF SMILES Flexibase

32473046

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-difluoro-N-[[(1S,2S)-2-methylcyclopropyl]methyl]benzenesulfonamide 2,4-difluoro-N-[[(1S,2S)-2-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)	2.74	3.79	-8.59	1	3	0	46	261.293	4	↓ MOL2 SDF SMILES Flexibase

32473049

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-difluoro-N-[[(1R,2R)-2-methylcyclopropyl]methyl]benzenesulfonamide 2,4-difluoro-N-[[(1R,2R)-2-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)	2.74	3.75	-8.92	1	3	0	46	261.293	4	↓ MOL2 SDF SMILES Flexibase

32473052

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-difluoro-N-[[(1R,2S)-2-methylcyclopropyl]methyl]benzenesulfonamide 2,4-difluoro-N-[[(1R,2S)-2-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)	2.74	3.68	-9.11	1	3	0	46	261.293	4	↓ MOL2 SDF SMILES Flexibase

32473064

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N-[[(1S,2R)-2-methylcyclopropyl]methyl]benzenesulfonamide 4-methyl-N-[[(1S,2R)-2-methylcyc…

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)	2.93	4.57	-9.23	1	3	0	46	239.34	4	↓ MOL2 SDF SMILES Flexibase

32473066

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N-[[(1S,2S)-2-methylcyclopropyl]methyl]benzenesulfonamide 4-methyl-N-[[(1S,2S)-2-methylcyc…

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)	2.93	4.63	-9.23	1	3	0	46	239.34	4	↓ MOL2 SDF SMILES Flexibase

32473068

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N-[[(1R,2R)-2-methylcyclopropyl]methyl]benzenesulfonamide 4-methyl-N-[[(1R,2R)-2-methylcyc…

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)	2.93	4.59	-9.44	1	3	0	46	239.34	4	↓ MOL2 SDF SMILES Flexibase

32473070

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N-[[(1R,2S)-2-methylcyclopropyl]methyl]benzenesulfonamide 4-methyl-N-[[(1R,2S)-2-methylcyc…

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)	2.93	4.53	-9.53	1	3	0	46	239.34	4	↓ MOL2 SDF SMILES Flexibase

32473071

Analogs

44503896

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-2-ethoxy-N-[[(1R,2S)-2-methylcyclopropyl]methyl]benzenesulfonamide 5-bromo-2-ethoxy-N-[[(1R,2S)-2-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)	3.66	5.14	-10.73	1	4	0	55	348.262	6	↓ MOL2 SDF SMILES Flexibase

32473074

Analogs

44503896

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-2-ethoxy-N-[[(1S,2S)-2-methylcyclopropyl]methyl]benzenesulfonamide 5-bromo-2-ethoxy-N-[[(1S,2S)-2-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)	3.66	5.33	-10.81	1	4	0	55	348.262	6	↓ MOL2 SDF SMILES Flexibase

32473077

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-2-ethoxy-N-[[(1R,2R)-2-methylcyclopropyl]methyl]benzenesulfonamide 5-bromo-2-ethoxy-N-[[(1R,2R)-2-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)	3.66	5.29	-10.93	1	4	0	55	348.262	6	↓ MOL2 SDF SMILES Flexibase

32473080

Analogs

44503896

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-2-ethoxy-N-[[(1S,2R)-2-methylcyclopropyl]methyl]benzenesulfonamide 5-bromo-2-ethoxy-N-[[(1S,2R)-2-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)	3.66	5.19	-10.32	1	4	0	55	348.262	6	↓ MOL2 SDF SMILES Flexibase

32473083

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1S,2R)-2-methylcyclopropyl]methyl]-2-nitro-benzenesulfonamide 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)	2.40	5.33	-12.87	1	6	0	92	270.31	5	↓ MOL2 SDF SMILES Flexibase

32473085

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1S,2S)-2-methylcyclopropyl]methyl]-2-nitro-benzenesulfonamide 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)	2.40	5.41	-12.99	1	6	0	92	270.31	5	↓ MOL2 SDF SMILES Flexibase

32473088

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1R,2R)-2-methylcyclopropyl]methyl]-2-nitro-benzenesulfonamide 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)	2.40	5.36	-13.23	1	6	0	92	270.31	5	↓ MOL2 SDF SMILES Flexibase

32473091

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1R,2S)-2-methylcyclopropyl]methyl]-2-nitro-benzenesulfonamide 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)	2.40	5.28	-13.13	1	6	0	92	270.31	5	↓ MOL2 SDF SMILES Flexibase

32473093

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methoxy-N-[[(1R,2S)-2-methylcyclopropyl]methyl]benzenesulfonamide 4-methoxy-N-[[(1R,2S)-2-methylcy…

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)	2.54	3.17	-10.15	1	4	0	55	255.339	5	↓ MOL2 SDF SMILES Flexibase

32473096

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methoxy-N-[[(1S,2S)-2-methylcyclopropyl]methyl]benzenesulfonamide 4-methoxy-N-[[(1S,2S)-2-methylcy…

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)	2.54	3.28	-9.87	1	4	0	55	255.339	5	↓ MOL2 SDF SMILES Flexibase

32473098

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methoxy-N-[[(1R,2R)-2-methylcyclopropyl]methyl]benzenesulfonamide 4-methoxy-N-[[(1R,2R)-2-methylcy…

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)	2.54	3.24	-10.16	1	4	0	55	255.339	5	↓ MOL2 SDF SMILES Flexibase

32473101

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methoxy-N-[[(1S,2R)-2-methylcyclopropyl]methyl]benzenesulfonamide 4-methoxy-N-[[(1S,2R)-2-methylcy…

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)	2.54	3.21	-9.82	1	4	0	55	255.339	5	↓ MOL2 SDF SMILES Flexibase

32473113

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[(1S,2R)-2-methylcyclopropyl]methyl]-5-nitro-benzenesulfonamide 2-methyl-N-[[(1S,2R)-2-methylcyc…

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	5.48	-14.27	1	6	0	92	284.337	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 11906
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 = 11906 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=11906&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": "11906"        

    });
</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