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

58311614

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S)-2-(tert-butylamino)-1-methyl-2-oxo-ethyl]-N-(2-furylmethyl)piperidine-4-carboxamide 1-[(1S)-2-(tert-butylamino)-1-me…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.50	5.73	-45.21	3	6	1	76	336.456	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.87	-1.18	-7.65	2	6	0	82	335.448	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.50	3.51	-12.73	2	6	0	75	335.448	6	↓ MOL2 SDF SMILES Flexibase

58311616

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R)-2-(tert-butylamino)-1-methyl-2-oxo-ethyl]-N-(2-furylmethyl)piperidine-4-carboxamide 1-[(1R)-2-(tert-butylamino)-1-me…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.50	5.74	-45.28	3	6	1	76	336.456	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.87	-1.18	-7.82	2	6	0	82	335.448	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.50	3.51	-12.28	2	6	0	75	335.448	6	↓ MOL2 SDF SMILES Flexibase

58330323

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-furylmethyl)-1-[2-(isobutylamino)-2-oxo-ethyl]piperidine-4-carboxamide N-(2-furylmethyl)-1-[2-(isobutyl…

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)	1.61	5.55	-49.38	3	6	1	76	322.429	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.61	3.37	-15.5	2	6	0	75	321.421	7	↓ MOL2 SDF SMILES Flexibase

58343746

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-furylmethyl)-1-[2-(methylcarbamoylamino)-2-oxo-ethyl]piperidine-4-carboxamide N-(2-furylmethyl)-1-[2-(methylca…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.14	3.31	-63.52	4	8	1	105	323.373	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.14	1.14	-27.56	3	8	0	104	322.365	5	↓ MOL2 SDF SMILES Flexibase

13677112

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(dimethylsulfamoyl)-N-(2-furylmethyl)piperidine-4-carboxamide 1-(dimethylsulfamoyl)-N-(2-furyl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.26	1.75	-13.67	1	7	0	83	315.395	5	↓ MOL2 SDF SMILES Flexibase

62839436

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-furylmethyl)-4-methyl-piperidine-4-carboxamide N-(2-furylmethyl)-4-methyl-piper…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.86	3.02	-39.99	3	4	1	59	223.296	3	↓ MOL2 SDF SMILES Flexibase

62839805

Analogs

15855959

Draw Identity 99% 90% 80% 70%

Popular Name: N,4-dimethyl-N-[(5-methyl-2-furyl)methyl]piperidine-4-carboxamide N,4-dimethyl-N-[(5-methyl-2-fury…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.99	5.42	-39.2	2	4	1	50	251.35	3	↓ MOL2 SDF SMILES Flexibase

62839822

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-furylmethyl)-N,4-dimethyl-piperidine-4-carboxamide N-(2-furylmethyl)-N,4-dimethyl-p…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.77	4.59	-40.61	2	4	1	50	237.323	3	↓ MOL2 SDF SMILES Flexibase

62839835

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(2-furyl)ethyl]-4-methyl-piperidine-4-carboxamide N-[(1S)-1-(2-furyl)ethyl]-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)	1.42	3.82	-39.42	3	4	1	59	237.323	3	↓ MOL2 SDF SMILES Flexibase

62839836

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(2-furyl)ethyl]-4-methyl-piperidine-4-carboxamide N-[(1R)-1-(2-furyl)ethyl]-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)	1.42	3.82	-39.47	3	4	1	59	237.323	3	↓ MOL2 SDF SMILES Flexibase

62840084

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N-[(1R)-1-(5-methyl-2-furyl)ethyl]piperidine-4-carboxamide 4-methyl-N-[(1R)-1-(5-methyl-2-f…

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)	1.64	4.65	-39.39	3	4	1	59	251.35	3	↓ MOL2 SDF SMILES Flexibase

62840085

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N-[(1S)-1-(5-methyl-2-furyl)ethyl]piperidine-4-carboxamide 4-methyl-N-[(1S)-1-(5-methyl-2-f…

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)	1.64	4.65	-39.34	3	4	1	59	251.35	3	↓ MOL2 SDF SMILES Flexibase

62840505

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-furylmethyl)-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide N-(2-furylmethyl)-4-methyl-N-(2,…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.70	5.73	-42.46	2	4	1	50	305.32	5	↓ MOL2 SDF SMILES Flexibase

62840667

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-N-(2-furylmethyl)-4-methyl-piperidine-4-carboxamide N-ethyl-N-(2-furylmethyl)-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)	1.15	5.39	-39.12	2	4	1	50	251.35	4	↓ MOL2 SDF SMILES Flexibase

62840729

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-isopropyl-4-methyl-N-[(5-methyl-2-furyl)methyl]piperidine-4-carboxamide N-isopropyl-4-methyl-N-[(5-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)	1.67	6.6	-44.17	2	4	1	50	279.404	4	↓ MOL2 SDF SMILES Flexibase

62840763

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5-bromo-2-furyl)methyl]-N,4-dimethyl-piperidine-4-carboxamide N-[(5-bromo-2-furyl)methyl]-N,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)	1.70	5.31	-46.08	2	4	1	50	316.219	3	↓ MOL2 SDF SMILES Flexibase

62840818

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-cyanoethyl)-N-(2-furylmethyl)-4-methyl-piperidine-4-carboxamide N-(2-cyanoethyl)-N-(2-furylmethy…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.23	5.75	-51.81	2	5	1	74	276.36	5	↓ MOL2 SDF SMILES Flexibase

62841500

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N-[(5-methyl-2-furyl)methyl]piperidine-4-carboxamide 4-methyl-N-[(5-methyl-2-furyl)me…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.08	3.84	-41.17	3	4	1	59	237.323	3	↓ MOL2 SDF SMILES Flexibase

62847497

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-N-(2-furylmethyl)piperidine-4-carboxamide 4-ethyl-N-(2-furylmethyl)piperid…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.19	3.44	-41.3	3	4	1	59	237.323	4	↓ MOL2 SDF SMILES Flexibase

62847498

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-furylmethyl)-4-propyl-piperidine-4-carboxamide N-(2-furylmethyl)-4-propyl-piper…

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)	1.75	4.21	-41.49	3	4	1	59	251.35	5	↓ MOL2 SDF SMILES Flexibase

62848150

Analogs

15855959

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-N-methyl-N-[(5-methyl-2-furyl)methyl]piperidine-4-carboxamide 4-ethyl-N-methyl-N-[(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)	1.33	6.06	-40.97	2	4	1	50	265.377	4	↓ MOL2 SDF SMILES Flexibase

62848151

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[(5-methyl-2-furyl)methyl]-4-propyl-piperidine-4-carboxamide N-methyl-N-[(5-methyl-2-furyl)me…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.89	6.82	-41.17	2	4	1	50	279.404	5	↓ MOL2 SDF SMILES Flexibase

62848183

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-N-(2-furylmethyl)-N-methyl-piperidine-4-carboxamide 4-ethyl-N-(2-furylmethyl)-N-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)	1.11	5.09	-46.25	2	4	1	50	251.35	4	↓ MOL2 SDF SMILES Flexibase

62848184

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-furylmethyl)-N-methyl-4-propyl-piperidine-4-carboxamide N-(2-furylmethyl)-N-methyl-4-pro…

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)	1.66	5.85	-46.48	2	4	1	50	265.377	5	↓ MOL2 SDF SMILES Flexibase

62848211

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(2-furyl)ethyl]-4-propyl-piperidine-4-carboxamide N-[(1S)-1-(2-furyl)ethyl]-4-prop…

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	5.05	-40.89	3	4	1	59	265.377	5	↓ MOL2 SDF SMILES Flexibase

62848212

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(2-furyl)ethyl]-4-propyl-piperidine-4-carboxamide N-[(1R)-1-(2-furyl)ethyl]-4-prop…

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	5.07	-42.26	3	4	1	59	265.377	5	↓ MOL2 SDF SMILES Flexibase

62848556

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-N-[(1S)-1-(5-methyl-2-furyl)ethyl]piperidine-4-carboxamide 4-ethyl-N-[(1S)-1-(5-methyl-2-fu…

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)	1.97	5.11	-40.51	3	4	1	59	265.377	4	↓ MOL2 SDF SMILES Flexibase

62848557

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-N-[(1R)-1-(5-methyl-2-furyl)ethyl]piperidine-4-carboxamide 4-ethyl-N-[(1R)-1-(5-methyl-2-fu…

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)	1.97	5.13	-41.99	3	4	1	59	265.377	4	↓ MOL2 SDF SMILES Flexibase

62848558

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(5-methyl-2-furyl)ethyl]-4-propyl-piperidine-4-carboxamide N-[(1S)-1-(5-methyl-2-furyl)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)	2.53	5.88	-40.79	3	4	1	59	279.404	5	↓ MOL2 SDF SMILES Flexibase

62848559

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(5-methyl-2-furyl)ethyl]-4-propyl-piperidine-4-carboxamide N-[(1R)-1-(5-methyl-2-furyl)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)	2.53	5.9	-42.26	3	4	1	59	279.404	5	↓ MOL2 SDF SMILES Flexibase

62849086

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,4-diethyl-N-(2-furylmethyl)piperidine-4-carboxamide N,4-diethyl-N-(2-furylmethyl)pip…

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)	1.48	5.83	-40.77	2	4	1	50	265.377	5	↓ MOL2 SDF SMILES Flexibase

62849087

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-N-(2-furylmethyl)-4-propyl-piperidine-4-carboxamide N-ethyl-N-(2-furylmethyl)-4-prop…

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)	2.04	6.58	-44.69	2	4	1	50	279.404	6	↓ MOL2 SDF SMILES Flexibase

62849159

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-N-isopropyl-N-[(5-methyl-2-furyl)methyl]piperidine-4-carboxamide 4-ethyl-N-isopropyl-N-[(5-methyl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.00	6.97	-41.29	2	4	1	50	293.431	5	↓ MOL2 SDF SMILES Flexibase

62849190

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5-bromo-2-furyl)methyl]-4-ethyl-N-methyl-piperidine-4-carboxamide N-[(5-bromo-2-furyl)methyl]-4-et…

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)	2.04	5.83	-47.48	2	4	1	50	330.246	4	↓ MOL2 SDF SMILES Flexibase

62849191

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5-bromo-2-furyl)methyl]-N-methyl-4-propyl-piperidine-4-carboxamide N-[(5-bromo-2-furyl)methyl]-N-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)	2.60	6.59	-47.76	2	4	1	50	344.273	5	↓ MOL2 SDF SMILES Flexibase

62849263

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-cyanoethyl)-4-ethyl-N-(2-furylmethyl)piperidine-4-carboxamide N-(2-cyanoethyl)-4-ethyl-N-(2-fu…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.56	6.24	-45.1	2	5	1	74	290.387	6	↓ MOL2 SDF SMILES Flexibase

62850325

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-N-[(5-methyl-2-furyl)methyl]piperidine-4-carboxamide 4-ethyl-N-[(5-methyl-2-furyl)met…

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)	1.41	4.33	-42.81	3	4	1	59	251.35	4	↓ MOL2 SDF SMILES Flexibase

62850326

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5-methyl-2-furyl)methyl]-4-propyl-piperidine-4-carboxamide N-[(5-methyl-2-furyl)methyl]-4-p…

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)	1.97	5.09	-43.05	3	4	1	59	265.377	5	↓ MOL2 SDF SMILES Flexibase

65551052

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N1-(3,3-dimethylbutyl)-N4-(2-furylmethyl)piperidine-1,4-dicarboxamide N1-(3,3-dimethylbutyl)-N4-(2-fur…

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)	3.05	6	-13.48	2	6	0	75	335.448	6	↓ MOL2 SDF SMILES Flexibase

48963103

Analogs

37017738
37017739

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(5-methyl-2-furyl)ethyl]-1-prop-2-ynyl-piperidine-4-carboxamide N-[(1R)-1-(5-methyl-2-furyl)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)	1.82	5.38	-8.83	1	4	0	45	274.364	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.82	7.65	-42.69	2	4	1	47	275.372	4	↓ MOL2 SDF SMILES Flexibase

48963105

Analogs

37017738
37017739

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(5-methyl-2-furyl)ethyl]-1-prop-2-ynyl-piperidine-4-carboxamide N-[(1S)-1-(5-methyl-2-furyl)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)	1.82	5.38	-8.86	1	4	0	45	274.364	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.82	7.65	-42.35	2	4	1	47	275.372	4	↓ MOL2 SDF SMILES Flexibase

37816980

Analogs

35660318
15855959
33024013

Draw Identity 99% 90% 80% 70%

Popular Name: N-isopropyl-N-[(5-methyl-2-furyl)methyl]piperidine-4-carboxamide N-isopropyl-N-[(5-methyl-2-furyl…

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)	1.42	6.67	-49.18	2	4	1	50	265.377	4	↓ MOL2 SDF SMILES Flexibase

37819806

Analogs

40089204
40514332
40514333
40515264
40515268

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5-bromo-2-furyl)methyl]-N-methyl-piperidine-4-carboxamide N-[(5-bromo-2-furyl)methyl]-N-me…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.46	5.24	-46.1	2	4	1	50	302.192	3	↓ MOL2 SDF SMILES Flexibase

37824411

Analogs

46629017
49753887
61715044
61715045
33028168

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-cyanoethyl)-N-(2-furylmethyl)piperidine-4-carboxamide N-(2-cyanoethyl)-N-(2-furylmethy…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.02	5.92	-52.43	2	5	1	74	262.333	5	↓ MOL2 SDF SMILES Flexibase

37825224

Analogs

60407465
60407758
15855929
35660318
15855959

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-dimethylaminoethyl)-N-[(5-methyl-2-furyl)methyl]piperidine-4-carboxamide N-(2-dimethylaminoethyl)-N-[(5-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)	0.78	7.52	-110.75	3	5	2	54	295.427	6	↓ MOL2 SDF SMILES Flexibase

42018156

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(2-furyl)ethyl]-1-sulfamoyl-piperidine-4-carboxamide N-[(1S)-1-(2-furyl)ethyl]-1-sulf…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.20	-0.4	-17.15	3	7	0	106	301.368	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.20	0.09	-45.51	2	7	-1	103	300.36	4	↓ MOL2 SDF SMILES Flexibase

42018157

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(2-furyl)ethyl]-1-sulfamoyl-piperidine-4-carboxamide N-[(1R)-1-(2-furyl)ethyl]-1-sulf…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.20	-0.39	-16.96	3	7	0	106	301.368	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.20	0.1	-45.41	2	7	-1	103	300.36	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 173758
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 = 173758 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=173758&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": "173758"        

    });
</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