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

20896202

Analogs

20896205
20896208
20896211
20896237
20896240

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[2-[3-(4-methylphenoxy)propoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5R)-4-acetyl-5-[2-[3-(4-meth…

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)	3.10	9.88	-19.24	1	7	0	80	427.526	8	↓ MOL2 SDF SMILES Flexibase

20896205

Analogs

20896208
20896211
20896237
20896240
20896202

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[2-[3-(4-methylphenoxy)propoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5S)-4-acetyl-5-[2-[3-(4-meth…

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)	3.10	10.02	-19.34	1	7	0	80	427.526	8	↓ MOL2 SDF SMILES Flexibase

20896208

Analogs

20896211
20896202
20896205

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[2-(3-phenoxypropoxy)phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5R)-4-acetyl-5-[2-(3-phenoxy…

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	9.22	-19.19	1	7	0	80	413.499	8	↓ MOL2 SDF SMILES Flexibase

20896211

Analogs

20896202
20896205
20896208

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[2-(3-phenoxypropoxy)phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5S)-4-acetyl-5-[2-(3-phenoxy…

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	9.37	-19.26	1	7	0	80	413.499	8	↓ MOL2 SDF SMILES Flexibase

20896214

Analogs

20896217
20896219
20896222
15832986
15832988

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[5-chloro-2-[3-(4-methylphenoxy)propoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamid N-[(5R)-4-acetyl-5-[5-chloro-2-[…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.76	10.37	-19.34	1	7	0	80	461.971	8	↓ MOL2 SDF SMILES Flexibase

20896217

Analogs

20896219
20896222
20896214
15832986
15832988

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[5-chloro-2-[3-(4-methylphenoxy)propoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamid N-[(5S)-4-acetyl-5-[5-chloro-2-[…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.76	10.53	-19.32	1	7	0	80	461.971	8	↓ MOL2 SDF SMILES Flexibase

20896219

Analogs

20896222
20896217
15832998
15833000

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[5-chloro-2-(3-phenoxypropoxy)phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5R)-4-acetyl-5-[5-chloro-2-(…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.31	9.74	-19.27	1	7	0	80	447.944	8	↓ MOL2 SDF SMILES Flexibase

20896222

Analogs

20896217
20896219
15832998
15833000

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[5-chloro-2-(3-phenoxypropoxy)phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5S)-4-acetyl-5-[5-chloro-2-(…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.31	9.88	-19.18	1	7	0	80	447.944	8	↓ MOL2 SDF SMILES Flexibase

20896225

Analogs

20896228

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[5-bromo-2-(3-phenoxypropoxy)phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5R)-4-acetyl-5-[5-bromo-2-(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)	3.44	9.85	-19.21	1	7	0	80	492.395	8	↓ MOL2 SDF SMILES Flexibase

20896228

Analogs

20896225

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[5-bromo-2-(3-phenoxypropoxy)phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5S)-4-acetyl-5-[5-bromo-2-(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)	3.44	9.98	-19.12	1	7	0	80	492.395	8	↓ MOL2 SDF SMILES Flexibase

20896237

Analogs

20896240
20896202
20896205

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[2-[3-(2,4-dimethylphenoxy)propoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5R)-4-acetyl-5-[2-[3-(2,4-di…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.48	10.6	-19.22	1	7	0	80	441.553	8	↓ MOL2 SDF SMILES Flexibase

20896240

Analogs

20896202
20896205
20896237

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[2-[3-(2,4-dimethylphenoxy)propoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5S)-4-acetyl-5-[2-[3-(2,4-di…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.48	10.74	-19.33	1	7	0	80	441.553	8	↓ MOL2 SDF SMILES Flexibase

20896243

Analogs

20896246

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[2-[3-(2,5-dimethylphenoxy)propoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5R)-4-acetyl-5-[2-[3-(2,5-di…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.48	10.64	-19.25	1	7	0	80	441.553	8	↓ MOL2 SDF SMILES Flexibase

20896246

Analogs

20896243

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[2-[3-(2,5-dimethylphenoxy)propoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5S)-4-acetyl-5-[2-[3-(2,5-di…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.48	10.79	-19.36	1	7	0	80	441.553	8	↓ MOL2 SDF SMILES Flexibase

20896249

Analogs

20896252

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[2-[3-(2-chlorophenoxy)propoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5R)-4-acetyl-5-[2-[3-(2-chlo…

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)	3.28	9.79	-20.51	1	7	0	80	447.944	8	↓ MOL2 SDF SMILES Flexibase

20896252

Analogs

20896249

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[2-[3-(2-chlorophenoxy)propoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5S)-4-acetyl-5-[2-[3-(2-chlo…

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)	3.28	9.93	-20.65	1	7	0	80	447.944	8	↓ MOL2 SDF SMILES Flexibase

20896255

Analogs

20896256

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[2-[3-(4-chloro-3,5-dimethyl-phenoxy)propoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]ace N-[(5R)-4-acetyl-5-[2-[3-(4-chlo…

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)	4.08	10.92	-19.22	1	7	0	80	475.998	8	↓ MOL2 SDF SMILES Flexibase

20896256

Analogs

20896255

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[2-[3-(4-chloro-3,5-dimethyl-phenoxy)propoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]ace N-[(5S)-4-acetyl-5-[2-[3-(4-chlo…

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)	4.08	11.07	-19.34	1	7	0	80	475.998	8	↓ MOL2 SDF SMILES Flexibase

20896258

Analogs

20896261

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[2-[3-(3,4-dimethylphenoxy)propoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5R)-4-acetyl-5-[2-[3-(3,4-di…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.48	10.54	-19.47	1	7	0	80	441.553	8	↓ MOL2 SDF SMILES Flexibase

20896261

Analogs

20896258

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[2-[3-(3,4-dimethylphenoxy)propoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5S)-4-acetyl-5-[2-[3-(3,4-di…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.48	10.69	-19.59	1	7	0	80	441.553	8	↓ MOL2 SDF SMILES Flexibase

20896264

Analogs

20896267

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[5-chloro-2-[3-(3,4-dimethylphenoxy)propoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acet N-[(5R)-4-acetyl-5-[5-chloro-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)	4.13	11.05	-19.55	1	7	0	80	475.998	8	↓ MOL2 SDF SMILES Flexibase

20896267

Analogs

20896264

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[5-chloro-2-[3-(3,4-dimethylphenoxy)propoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acet N-[(5S)-4-acetyl-5-[5-chloro-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)	4.13	11.2	-19.51	1	7	0	80	475.998	8	↓ MOL2 SDF SMILES Flexibase

20896361

Analogs

20896364
15833006
15833008

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[5-methyl-2-[3-(4-methylphenoxy)propoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamid N-[(5R)-4-acetyl-5-[5-methyl-2-[…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.53	10.64	-19.43	1	7	0	80	441.553	8	↓ MOL2 SDF SMILES Flexibase

20896364

Analogs

20896361
15833006
15833008

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[5-methyl-2-[3-(4-methylphenoxy)propoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamid N-[(5S)-4-acetyl-5-[5-methyl-2-[…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.53	10.68	-19.51	1	7	0	80	441.553	8	↓ MOL2 SDF SMILES Flexibase

20896367

Analogs

20896370

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[5-methyl-2-[3-(3-methylphenoxy)propoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamid N-[(5R)-4-acetyl-5-[5-methyl-2-[…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.50	10.65	-19.57	1	7	0	80	441.553	8	↓ MOL2 SDF SMILES Flexibase

20896370

Analogs

20896367

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[5-methyl-2-[3-(3-methylphenoxy)propoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamid N-[(5S)-4-acetyl-5-[5-methyl-2-[…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.50	10.68	-19.72	1	7	0	80	441.553	8	↓ MOL2 SDF SMILES Flexibase

20896373

Analogs

20896376

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[2-[3-(4-chlorophenoxy)propoxy]-5-methyl-phenyl]-5H-1,3,4-thiadiazol-2-yl]acetami N-[(5R)-4-acetyl-5-[2-[3-(4-chlo…

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)	3.76	10.5	-19.19	1	7	0	80	461.971	8	↓ MOL2 SDF SMILES Flexibase

20896376

Analogs

20896373

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[2-[3-(4-chlorophenoxy)propoxy]-5-methyl-phenyl]-5H-1,3,4-thiadiazol-2-yl]acetami N-[(5S)-4-acetyl-5-[2-[3-(4-chlo…

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)	3.76	10.53	-19.18	1	7	0	80	461.971	8	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 80024
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 = 80024 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=80024&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": "80024"        

    });
</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