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

22704536

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-3-[[2-[(5S)-4-oxo-2-(1-piperidyl)thiazol-5-yl]acetyl]amino]benzamide N-(2-diethylaminoethyl)-3-[[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)	1.88	7.97	-59.26	3	8	1	95	460.624	10	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.88	5.66	-27.99	2	8	0	94	459.616	10	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.88	8.86	-84.25	4	8	2	97	461.632	10	↓ MOL2 SDF SMILES Flexibase

22704541

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-3-[[2-[(5R)-4-oxo-2-(1-piperidyl)thiazol-5-yl]acetyl]amino]benzamide N-(2-diethylaminoethyl)-3-[[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)	1.88	7.98	-59.26	3	8	1	95	460.624	10	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.88	5.66	-27.57	2	8	0	94	459.616	10	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.88	8.87	-84.42	4	8	2	97	461.632	10	↓ MOL2 SDF SMILES Flexibase

22993539

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[2-[(5S)-4-oxo-2-(1-piperidyl)thiazol-5-yl]acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide 3-[[2-[(5S)-4-oxo-2-(1-piperidyl…

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)	2.03	5.89	-24.68	2	7	0	91	442.463	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.03	6.78	-41.75	3	7	1	92	443.471	7	↓ MOL2 SDF SMILES Flexibase

22993541

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[2-[(5R)-4-oxo-2-(1-piperidyl)thiazol-5-yl]acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide 3-[[2-[(5R)-4-oxo-2-(1-piperidyl…

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)	2.03	5.91	-24.33	2	7	0	91	442.463	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.03	6.8	-41.3	3	7	1	92	443.471	7	↓ MOL2 SDF SMILES Flexibase

14247757

Analogs

14247759
29606272
29606274
6086299
6086301

Draw Identity 99% 90% 80% 70%

Popular Name: N-butyl-N-methyl-3-[[2-[(5S)-4-oxo-2-(1-piperidyl)thiazol-5-yl]acetyl]amino]benzamide N-butyl-N-methyl-3-[[2-[(5S)-4-o…

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)	2.31	8.73	-24.66	1	7	0	82	430.574	8	↓ MOL2 SDF SMILES Flexibase

14247759

Analogs

29606272
29606274
32263062
32263063
6086299

Draw Identity 99% 90% 80% 70%

Popular Name: N-butyl-N-methyl-3-[[2-[(5R)-4-oxo-2-(1-piperidyl)thiazol-5-yl]acetyl]amino]benzamide N-butyl-N-methyl-3-[[2-[(5R)-4-o…

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)	2.31	8.74	-24.79	1	7	0	82	430.574	8	↓ MOL2 SDF SMILES Flexibase

55117027

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-dimethylaminophenyl)-2-[(5R)-4-oxo-2-(1-piperidyl)thiazol-5-yl]acetamide N-(4-dimethylaminophenyl)-2-[(5R…

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)	2.03	6.69	-14.93	1	6	0	65	360.483	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.03	7.43	-94.93	2	6	0	66	361.491	5	↓ MOL2 SDF SMILES Flexibase

55117028

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-dimethylaminophenyl)-2-[(5S)-4-oxo-2-(1-piperidyl)thiazol-5-yl]acetamide N-(4-dimethylaminophenyl)-2-[(5S…

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)	2.03	6.69	-15.04	1	6	0	65	360.483	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.03	7.44	-94.92	2	6	0	66	361.491	5	↓ MOL2 SDF SMILES Flexibase

55117574

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,5-dimethylphenyl)-2-[(5R)-2-(4-methyl-1-piperidyl)-4-oxo-thiazol-5-yl]acetamide N-(2,5-dimethylphenyl)-2-[(5R)-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)	3.00	8.38	-14.05	1	5	0	62	359.495	4	↓ MOL2 SDF SMILES Flexibase

55117575

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,5-dimethylphenyl)-2-[(5S)-2-(4-methyl-1-piperidyl)-4-oxo-thiazol-5-yl]acetamide N-(2,5-dimethylphenyl)-2-[(5S)-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)	3.00	8.38	-13.7	1	5	0	62	359.495	4	↓ MOL2 SDF SMILES Flexibase

55117576

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-chlorophenyl)-2-[(5S)-2-(4-methyl-1-piperidyl)-4-oxo-thiazol-5-yl]acetamide N-(2-chlorophenyl)-2-[(5S)-2-(4-…

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)	2.80	7.51	-12.57	1	5	0	62	365.886	4	↓ MOL2 SDF SMILES Flexibase

55117577

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-chlorophenyl)-2-[(5R)-2-(4-methyl-1-piperidyl)-4-oxo-thiazol-5-yl]acetamide N-(2-chlorophenyl)-2-[(5R)-2-(4-…

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)	2.80	7.49	-12.48	1	5	0	62	365.886	4	↓ MOL2 SDF SMILES Flexibase

55117592

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5R)-2-(4-methyl-1-piperidyl)-4-oxo-thiazol-5-yl]-N-(p-tolyl)acetamide 2-[(5R)-2-(4-methyl-1-piperidyl)…

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)	2.62	7.54	-14.1	1	5	0	62	345.468	4	↓ MOL2 SDF SMILES Flexibase

55117593

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5S)-2-(4-methyl-1-piperidyl)-4-oxo-thiazol-5-yl]-N-(p-tolyl)acetamide 2-[(5S)-2-(4-methyl-1-piperidyl)…

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)	2.62	7.54	-13.68	1	5	0	62	345.468	4	↓ MOL2 SDF SMILES Flexibase

55117596

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chloro-2-methyl-phenyl)-2-[(5R)-2-(4-methyl-1-piperidyl)-4-oxo-thiazol-5-yl]acetamide N-(3-chloro-2-methyl-phenyl)-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)	3.20	8.15	-13.07	1	5	0	62	379.913	4	↓ MOL2 SDF SMILES Flexibase

55117597

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chloro-2-methyl-phenyl)-2-[(5S)-2-(4-methyl-1-piperidyl)-4-oxo-thiazol-5-yl]acetamide N-(3-chloro-2-methyl-phenyl)-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)	3.20	8.15	-12.88	1	5	0	62	379.913	4	↓ MOL2 SDF SMILES Flexibase

55117612

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-dimethylaminophenyl)-2-[(5S)-2-(4-methyl-1-piperidyl)-4-oxo-thiazol-5-yl]acetamide N-(4-dimethylaminophenyl)-2-[(5S…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.27	7.26	-14.56	1	6	0	65	374.51	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.27	8.05	-94.35	2	6	0	66	375.518	5	↓ MOL2 SDF SMILES Flexibase

55117613

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-dimethylaminophenyl)-2-[(5R)-2-(4-methyl-1-piperidyl)-4-oxo-thiazol-5-yl]acetamide N-(4-dimethylaminophenyl)-2-[(5R…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.27	7.26	-14.82	1	6	0	65	374.51	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.27	8.03	-94.66	2	6	0	66	375.518	5	↓ MOL2 SDF SMILES Flexibase

55117742

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,4-difluorophenyl)-2-[(5S)-2-[(3R)-3-methyl-1-piperidyl]-4-oxo-thiazol-5-yl]acetamide N-(2,4-difluorophenyl)-2-[(5S)-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)	2.43	7.03	-12.35	1	5	0	62	367.421	4	↓ MOL2 SDF SMILES Flexibase

55117743

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,4-difluorophenyl)-2-[(5S)-2-[(3S)-3-methyl-1-piperidyl]-4-oxo-thiazol-5-yl]acetamide N-(2,4-difluorophenyl)-2-[(5S)-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)	2.43	7.03	-12.55	1	5	0	62	367.421	4	↓ MOL2 SDF SMILES Flexibase

55117744

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,4-difluorophenyl)-2-[(5R)-2-[(3R)-3-methyl-1-piperidyl]-4-oxo-thiazol-5-yl]acetamide N-(2,4-difluorophenyl)-2-[(5R)-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)	2.43	7.03	-12.1	1	5	0	62	367.421	4	↓ MOL2 SDF SMILES Flexibase

55117745

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,4-difluorophenyl)-2-[(5R)-2-[(3S)-3-methyl-1-piperidyl]-4-oxo-thiazol-5-yl]acetamide N-(2,4-difluorophenyl)-2-[(5R)-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)	2.43	7.02	-11.98	1	5	0	62	367.421	4	↓ MOL2 SDF SMILES Flexibase

55117746

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,5-dimethylphenyl)-2-[(5R)-2-[(3S)-3-methyl-1-piperidyl]-4-oxo-thiazol-5-yl]acetamide N-(2,5-dimethylphenyl)-2-[(5R)-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)	3.00	8.36	-13.77	1	5	0	62	359.495	4	↓ MOL2 SDF SMILES Flexibase

55117747

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,5-dimethylphenyl)-2-[(5S)-2-[(3S)-3-methyl-1-piperidyl]-4-oxo-thiazol-5-yl]acetamide N-(2,5-dimethylphenyl)-2-[(5S)-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)	3.00	8.36	-13.9	1	5	0	62	359.495	4	↓ MOL2 SDF SMILES Flexibase

55117748

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,5-dimethylphenyl)-2-[(5R)-2-[(3R)-3-methyl-1-piperidyl]-4-oxo-thiazol-5-yl]acetamide N-(2,5-dimethylphenyl)-2-[(5R)-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)	3.00	8.37	-13.94	1	5	0	62	359.495	4	↓ MOL2 SDF SMILES Flexibase

55117749

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,5-dimethylphenyl)-2-[(5S)-2-[(3R)-3-methyl-1-piperidyl]-4-oxo-thiazol-5-yl]acetamide N-(2,5-dimethylphenyl)-2-[(5S)-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)	3.00	8.37	-13.71	1	5	0	62	359.495	4	↓ MOL2 SDF SMILES Flexibase

55117750

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-chlorophenyl)-2-[(5S)-2-[(3R)-3-methyl-1-piperidyl]-4-oxo-thiazol-5-yl]acetamide N-(2-chlorophenyl)-2-[(5S)-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)	2.80	7.5	-12.61	1	5	0	62	365.886	4	↓ MOL2 SDF SMILES Flexibase

55117751

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-chlorophenyl)-2-[(5S)-2-[(3S)-3-methyl-1-piperidyl]-4-oxo-thiazol-5-yl]acetamide N-(2-chlorophenyl)-2-[(5S)-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)	2.80	7.5	-12.79	1	5	0	62	365.886	4	↓ MOL2 SDF SMILES Flexibase

55117752

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-chlorophenyl)-2-[(5R)-2-[(3R)-3-methyl-1-piperidyl]-4-oxo-thiazol-5-yl]acetamide N-(2-chlorophenyl)-2-[(5R)-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)	2.80	7.5	-12.52	1	5	0	62	365.886	4	↓ MOL2 SDF SMILES Flexibase

55117753

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-chlorophenyl)-2-[(5R)-2-[(3S)-3-methyl-1-piperidyl]-4-oxo-thiazol-5-yl]acetamide N-(2-chlorophenyl)-2-[(5R)-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)	2.80	7.49	-12.39	1	5	0	62	365.886	4	↓ MOL2 SDF SMILES Flexibase

55117786

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-fluorophenyl)-2-[(5S)-2-[(3R)-3-methyl-1-piperidyl]-4-oxo-thiazol-5-yl]acetamide N-(4-fluorophenyl)-2-[(5S)-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)	2.34	6.92	-14.25	1	5	0	62	349.431	4	↓ MOL2 SDF SMILES Flexibase

55117787

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-fluorophenyl)-2-[(5S)-2-[(3S)-3-methyl-1-piperidyl]-4-oxo-thiazol-5-yl]acetamide N-(4-fluorophenyl)-2-[(5S)-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)	2.34	6.92	-14.43	1	5	0	62	349.431	4	↓ MOL2 SDF SMILES Flexibase

55117788

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-fluorophenyl)-2-[(5R)-2-[(3R)-3-methyl-1-piperidyl]-4-oxo-thiazol-5-yl]acetamide N-(4-fluorophenyl)-2-[(5R)-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)	2.34	6.92	-14.48	1	5	0	62	349.431	4	↓ MOL2 SDF SMILES Flexibase

55117789

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-fluorophenyl)-2-[(5R)-2-[(3S)-3-methyl-1-piperidyl]-4-oxo-thiazol-5-yl]acetamide N-(4-fluorophenyl)-2-[(5R)-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)	2.34	6.93	-14.32	1	5	0	62	349.431	4	↓ MOL2 SDF SMILES Flexibase

55117790

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chloro-2-methyl-phenyl)-2-[(5R)-2-[(3S)-3-methyl-1-piperidyl]-4-oxo-thiazol-5-yl]acetamide N-(3-chloro-2-methyl-phenyl)-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)	3.20	8.13	-12.87	1	5	0	62	379.913	4	↓ MOL2 SDF SMILES Flexibase

55117791

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chloro-2-methyl-phenyl)-2-[(5S)-2-[(3S)-3-methyl-1-piperidyl]-4-oxo-thiazol-5-yl]acetamide N-(3-chloro-2-methyl-phenyl)-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)	3.20	8.13	-13.19	1	5	0	62	379.913	4	↓ MOL2 SDF SMILES Flexibase

55117792

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chloro-2-methyl-phenyl)-2-[(5R)-2-[(3R)-3-methyl-1-piperidyl]-4-oxo-thiazol-5-yl]acetamide N-(3-chloro-2-methyl-phenyl)-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)	3.20	8.13	-13.09	1	5	0	62	379.913	4	↓ MOL2 SDF SMILES Flexibase

55117793

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chloro-2-methyl-phenyl)-2-[(5S)-2-[(3R)-3-methyl-1-piperidyl]-4-oxo-thiazol-5-yl]acetamide N-(3-chloro-2-methyl-phenyl)-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)	3.20	8.13	-12.97	1	5	0	62	379.913	4	↓ MOL2 SDF SMILES Flexibase

55117838

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-dimethylaminophenyl)-2-[(5S)-2-[(3R)-3-methyl-1-piperidyl]-4-oxo-thiazol-5-yl]acetamide N-(4-dimethylaminophenyl)-2-[(5S…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.27	7.29	-14.68	1	6	0	65	374.51	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.27	8.03	-94.95	2	6	0	66	375.518	5	↓ MOL2 SDF SMILES Flexibase

55117839

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-dimethylaminophenyl)-2-[(5S)-2-[(3S)-3-methyl-1-piperidyl]-4-oxo-thiazol-5-yl]acetamide N-(4-dimethylaminophenyl)-2-[(5S…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.27	7.28	-14.9	1	6	0	65	374.51	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.27	8.03	-95.11	2	6	0	66	375.518	5	↓ MOL2 SDF SMILES Flexibase

55117840

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-dimethylaminophenyl)-2-[(5R)-2-[(3R)-3-methyl-1-piperidyl]-4-oxo-thiazol-5-yl]acetamide N-(4-dimethylaminophenyl)-2-[(5R…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.27	7.29	-14.95	1	6	0	65	374.51	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.27	8.02	-95.13	2	6	0	66	375.518	5	↓ MOL2 SDF SMILES Flexibase

55117841

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-dimethylaminophenyl)-2-[(5R)-2-[(3S)-3-methyl-1-piperidyl]-4-oxo-thiazol-5-yl]acetamide N-(4-dimethylaminophenyl)-2-[(5R…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.27	7.29	-14.69	1	6	0	65	374.51	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.27	8.03	-95.01	2	6	0	66	375.518	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 110478
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 = 110478 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=110478&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": "110478"        

    });
</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