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

20896027

Analogs

20896030

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[2-(2-phenoxyethoxy)phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5R)-4-acetyl-5-[2-(2-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)	2.38	8.63	-20.71	1	7	0	80	399.472	7	↓ MOL2 SDF SMILES Flexibase

20896030

Analogs

20896027

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[2-(2-phenoxyethoxy)phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5S)-4-acetyl-5-[2-(2-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)	2.38	8.77	-19.66	1	7	0	80	399.472	7	↓ MOL2 SDF SMILES Flexibase

20896033

Analogs

20896036
15832942
15832944
15832958
15832960

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[5-bromo-2-[2-(4-methylphenoxy)ethoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5R)-4-acetyl-5-[5-bromo-2-[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)	3.62	9.91	-20.55	1	7	0	80	492.395	7	↓ MOL2 SDF SMILES Flexibase

20896036

Analogs

20896033
15832942
15832944
15832958
15832960

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[5-bromo-2-[2-(4-methylphenoxy)ethoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5S)-4-acetyl-5-[5-bromo-2-[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)	3.62	10.04	-19.41	1	7	0	80	492.395	7	↓ MOL2 SDF SMILES Flexibase

20896038

Analogs

20896041
15832974
15832976
15832940
15832939

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[5-chloro-2-[2-(4-methylphenoxy)ethoxy]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)	3.48	9.8	-20.66	1	7	0	80	447.944	7	↓ MOL2 SDF SMILES Flexibase

20896041

Analogs

20896038
15832974
15832976
15832940
15832939

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[5-chloro-2-[2-(4-methylphenoxy)ethoxy]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)	3.48	9.94	-19.44	1	7	0	80	447.944	7	↓ MOL2 SDF SMILES Flexibase

20896044

Analogs

20896047

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[5-bromo-2-[2-(3-methylphenoxy)ethoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5R)-4-acetyl-5-[5-bromo-2-[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)	3.59	9.9	-20.77	1	7	0	80	492.395	7	↓ MOL2 SDF SMILES Flexibase

20896047

Analogs

20896044

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[5-bromo-2-[2-(3-methylphenoxy)ethoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5S)-4-acetyl-5-[5-bromo-2-[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)	3.59	10.04	-19.59	1	7	0	80	492.395	7	↓ MOL2 SDF SMILES Flexibase

20896050

Analogs

20896053
20896157
20896159

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[5-chloro-2-[2-(3-methylphenoxy)ethoxy]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)	3.46	9.79	-20.86	1	7	0	80	447.944	7	↓ MOL2 SDF SMILES Flexibase

20896053

Analogs

20896157
20896159
20896050

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[5-chloro-2-[2-(3-methylphenoxy)ethoxy]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)	3.46	9.93	-19.64	1	7	0	80	447.944	7	↓ MOL2 SDF SMILES Flexibase

20896056

Analogs

20896059

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[2-[2-(2-methoxyphenoxy)ethoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5S)-4-acetyl-5-[2-[2-(2-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)	2.00	8.72	-22.42	1	8	0	89	429.498	8	↓ MOL2 SDF SMILES Flexibase

20896059

Analogs

20896056

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[2-[2-(2-methoxyphenoxy)ethoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5R)-4-acetyl-5-[2-[2-(2-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)	2.00	8.59	-23.75	1	8	0	89	429.498	8	↓ MOL2 SDF SMILES Flexibase

20896062

Analogs

20896065

Draw Identity 99% 90% 80% 70%

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

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)	4.09	10.96	-20.23	1	7	0	80	455.58	8	↓ MOL2 SDF SMILES Flexibase

20896065

Analogs

20896062

Draw Identity 99% 90% 80% 70%

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

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)	4.09	11.11	-19.19	1	7	0	80	455.58	8	↓ MOL2 SDF SMILES Flexibase

20896068

Analogs

20896071

Draw Identity 99% 90% 80% 70%

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

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)	3.67	10.83	-19.7	1	7	0	80	441.553	8	↓ MOL2 SDF SMILES Flexibase

20896071

Analogs

20896068

Draw Identity 99% 90% 80% 70%

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

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)	3.67	10.7	-20.91	1	7	0	80	441.553	8	↓ MOL2 SDF SMILES Flexibase

20896150

Analogs

20896154
15832974
15832976
15832940
15832939

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[5-chloro-2-[2-(2,6-dimethylphenoxy)ethoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]aceta 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)	3.84	10.64	-19.88	1	7	0	80	461.971	7	↓ MOL2 SDF SMILES Flexibase

20896154

Analogs

20896150
15832974
15832976
15832940
15832939

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[5-chloro-2-[2-(2,6-dimethylphenoxy)ethoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]aceta 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)	3.84	10.78	-18.61	1	7	0	80	461.971	7	↓ MOL2 SDF SMILES Flexibase

20896157

Analogs

20896159
20896050
20896053

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[5-chloro-2-[2-(2,5-dimethylphenoxy)ethoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]aceta 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)	3.86	10.56	-20.44	1	7	0	80	461.971	7	↓ MOL2 SDF SMILES Flexibase

20896159

Analogs

20896050
20896053
20896157

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[5-chloro-2-[2-(2,5-dimethylphenoxy)ethoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]aceta 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)	3.86	10.69	-19.46	1	7	0	80	461.971	7	↓ MOL2 SDF SMILES Flexibase

20896161

Analogs

20896163

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[2-[2-(3,5-dimethylphenoxy)ethoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5R)-4-acetyl-5-[2-[2-(3,5-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)	3.21	9.93	-21.02	1	7	0	80	427.526	7	↓ MOL2 SDF SMILES Flexibase

20896163

Analogs

20896161

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[2-[2-(3,5-dimethylphenoxy)ethoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5S)-4-acetyl-5-[2-[2-(3,5-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)	3.21	10.07	-19.85	1	7	0	80	427.526	7	↓ MOL2 SDF SMILES Flexibase

20896165

Analogs

20896167

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[2-[2-(2,4-dimethylphenoxy)ethoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5R)-4-acetyl-5-[2-[2-(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)	3.21	9.99	-20.5	1	7	0	80	427.526	7	↓ MOL2 SDF SMILES Flexibase

20896167

Analogs

20896165

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[2-[2-(2,4-dimethylphenoxy)ethoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5S)-4-acetyl-5-[2-[2-(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)	3.21	10.14	-19.67	1	7	0	80	427.526	7	↓ MOL2 SDF SMILES Flexibase

20896170

Analogs

20896172

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[2-[2-(4-chloro-3-methyl-phenoxy)ethoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamid N-[(5R)-4-acetyl-5-[2-[2-(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)	3.44	9.76	-20.29	1	7	0	80	447.944	7	↓ MOL2 SDF SMILES Flexibase

20896172

Analogs

20896170

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[2-[2-(4-chloro-3-methyl-phenoxy)ethoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamid N-[(5S)-4-acetyl-5-[2-[2-(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)	3.44	9.89	-19.5	1	7	0	80	447.944	7	↓ MOL2 SDF SMILES Flexibase

20896175

Analogs

20896177

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[2-[2-(2-chlorophenoxy)ethoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5R)-4-acetyl-5-[2-[2-(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)	3.01	9.19	-22.55	1	7	0	80	433.917	7	↓ MOL2 SDF SMILES Flexibase

20896177

Analogs

20896175

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[2-[2-(2-chlorophenoxy)ethoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5S)-4-acetyl-5-[2-[2-(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)	3.01	9.33	-20.4	1	7	0	80	433.917	7	↓ MOL2 SDF SMILES Flexibase

20896270

Analogs

20896272
20896345
20896348
20896349
20896352

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[5-methyl-2-[2-(2-methylphenoxy)ethoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide 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)	3.21	10	-20.68	1	7	0	80	427.526	7	↓ MOL2 SDF SMILES Flexibase

20896272

Analogs

20896345
20896348
20896349
20896352
20896270

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[5-methyl-2-[2-(2-methylphenoxy)ethoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide 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)	3.21	10.14	-19.82	1	7	0	80	427.526	7	↓ MOL2 SDF SMILES Flexibase

20896274

Analogs

20896277

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[2-[2-(2-methoxyphenoxy)ethoxy]-5-methyl-phenyl]-5H-1,3,4-thiadiazol-2-yl]acetami N-[(5S)-4-acetyl-5-[2-[2-(2-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)	2.42	9.36	-22.7	1	8	0	89	443.525	8	↓ MOL2 SDF SMILES Flexibase

20896277

Analogs

20896274

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[2-[2-(2-methoxyphenoxy)ethoxy]-5-methyl-phenyl]-5H-1,3,4-thiadiazol-2-yl]acetami N-[(5R)-4-acetyl-5-[2-[2-(2-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)	2.42	9.32	-24.28	1	8	0	89	443.525	8	↓ MOL2 SDF SMILES Flexibase

20896280

Analogs

20896282

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[2-[2-(2-isopropyl-5-methyl-phenoxy)ethoxy]-5-methyl-phenyl]-5H-1,3,4-thiadiazol- N-[(5S)-4-acetyl-5-[2-[2-(2-isop…

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)	4.22	12.13	-19.71	1	7	0	80	469.607	8	↓ MOL2 SDF SMILES Flexibase

20896282

Analogs

20896280

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[2-[2-(2-isopropyl-5-methyl-phenoxy)ethoxy]-5-methyl-phenyl]-5H-1,3,4-thiadiazol- N-[(5R)-4-acetyl-5-[2-[2-(2-isop…

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)	4.22	12.09	-20.72	1	7	0	80	469.607	8	↓ MOL2 SDF SMILES Flexibase

20896284

Analogs

20896286

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[2-[2-(4-bromophenoxy)ethoxy]-5-methyl-phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5R)-4-acetyl-5-[2-[2-(4-brom…

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)	3.62	9.91	-20.29	1	7	0	80	492.395	7	↓ MOL2 SDF SMILES Flexibase

20896286

Analogs

20896284

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[2-[2-(4-bromophenoxy)ethoxy]-5-methyl-phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5S)-4-acetyl-5-[2-[2-(4-brom…

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)	3.62	10.04	-19.39	1	7	0	80	492.395	7	↓ MOL2 SDF SMILES Flexibase

20896289

Analogs

20896292

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[2-[2-(4-chlorophenoxy)ethoxy]-5-methyl-phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamid N-[(5R)-4-acetyl-5-[2-[2-(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)	3.48	9.8	-20.38	1	7	0	80	447.944	7	↓ MOL2 SDF SMILES Flexibase

20896292

Analogs

20896289

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[2-[2-(4-chlorophenoxy)ethoxy]-5-methyl-phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamid N-[(5S)-4-acetyl-5-[2-[2-(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)	3.48	9.94	-19.44	1	7	0	80	447.944	7	↓ MOL2 SDF SMILES Flexibase

20896339

Analogs

20896342

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[2-[2-(4-chloro-3-methyl-phenoxy)ethoxy]-5-methyl-phenyl]-5H-1,3,4-thiadiazol-2-y N-[(5R)-4-acetyl-5-[2-[2-(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)	3.86	10.43	-20.43	1	7	0	80	461.971	7	↓ MOL2 SDF SMILES Flexibase

20896342

Analogs

20896339

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[2-[2-(4-chloro-3-methyl-phenoxy)ethoxy]-5-methyl-phenyl]-5H-1,3,4-thiadiazol-2-y N-[(5S)-4-acetyl-5-[2-[2-(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)	3.86	10.56	-19.6	1	7	0	80	461.971	7	↓ MOL2 SDF SMILES Flexibase

20896345

Analogs

20896348
20896349
20896352
20896270
20896272

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[2-[2-(4-methoxyphenoxy)ethoxy]-5-methyl-phenyl]-5H-1,3,4-thiadiazol-2-yl]acetami N-[(5S)-4-acetyl-5-[2-[2-(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)	2.86	8.72	-20.87	1	8	0	89	443.525	8	↓ MOL2 SDF SMILES Flexibase

20896348

Analogs

20896349
20896352
20896270
20896272
20896345

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[2-[2-(4-methoxyphenoxy)ethoxy]-5-methyl-phenyl]-5H-1,3,4-thiadiazol-2-yl]acetami N-[(5R)-4-acetyl-5-[2-[2-(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)	2.86	8.59	-21.97	1	8	0	89	443.525	8	↓ MOL2 SDF SMILES Flexibase

20896349

Analogs

20896352
20896270
20896272
20896345
20896348

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[2-[2-(2,4-dimethylphenoxy)ethoxy]-5-methyl-phenyl]-5H-1,3,4-thiadiazol-2-yl]acet N-[(5R)-4-acetyl-5-[2-[2-(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)	3.63	10.65	-20.63	1	7	0	80	441.553	7	↓ MOL2 SDF SMILES Flexibase

20896352

Analogs

20896270
20896272
20896345
20896348
20896349

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[2-[2-(2,4-dimethylphenoxy)ethoxy]-5-methyl-phenyl]-5H-1,3,4-thiadiazol-2-yl]acet N-[(5S)-4-acetyl-5-[2-[2-(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)	3.63	10.8	-19.84	1	7	0	80	441.553	7	↓ MOL2 SDF SMILES Flexibase

20896355

Analogs

20896358

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[2-[2-(3,5-dimethylphenoxy)ethoxy]-5-methyl-phenyl]-5H-1,3,4-thiadiazol-2-yl]acet N-[(5R)-4-acetyl-5-[2-[2-(3,5-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)	3.63	10.7	-21.31	1	7	0	80	441.553	7	↓ MOL2 SDF SMILES Flexibase

20896358

Analogs

20896355

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[2-[2-(3,5-dimethylphenoxy)ethoxy]-5-methyl-phenyl]-5H-1,3,4-thiadiazol-2-yl]acet N-[(5S)-4-acetyl-5-[2-[2-(3,5-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)	3.63	10.74	-20.08	1	7	0	80	441.553	7	↓ MOL2 SDF SMILES Flexibase

20896385

Analogs

20896388
20896391
20896394
15833018
15833020

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[5-methoxy-2-(2-phenoxyethoxy)phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5S)-4-acetyl-5-[5-methoxy-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)	2.41	8.08	-21.8	1	8	0	89	429.498	8	↓ MOL2 SDF SMILES Flexibase

20896388

Analogs

20896391
20896394
20896385
15833018
15833020

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[5-methoxy-2-(2-phenoxyethoxy)phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5R)-4-acetyl-5-[5-methoxy-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)	2.41	7.93	-23.03	1	8	0	89	429.498	8	↓ MOL2 SDF SMILES Flexibase

20896391

Analogs

20896394
20896397
20896400
20896385
20896388

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[5-methoxy-2-[2-(4-methylphenoxy)ethoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamid N-[(5S)-4-acetyl-5-[5-methoxy-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)	2.86	8.72	-21.86	1	8	0	89	443.525	8	↓ MOL2 SDF SMILES Flexibase

20896394

Analogs

20896397
20896400
20896385
20896388
20896391

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[5-methoxy-2-[2-(4-methylphenoxy)ethoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamid N-[(5R)-4-acetyl-5-[5-methoxy-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)	2.86	8.58	-23.14	1	8	0	89	443.525	8	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 79954
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 = 79954 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=79954&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": "79954"        

    });
</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