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

62851693

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-N-(2-furylmethyl)piperidine-3-carboxamide (3S)-3-ethyl-N-(2-furylmethyl)pi…

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	3.64	-35.21	3	4	1	59	237.323	4	↓ MOL2 SDF SMILES Flexibase

62851694

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-N-(2-furylmethyl)piperidine-3-carboxamide (3R)-3-ethyl-N-(2-furylmethyl)pi…

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	3.69	-35.84	3	4	1	59	237.323	4	↓ MOL2 SDF SMILES Flexibase

62851695

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-(2-furylmethyl)-3-methyl-piperidine-3-carboxamide (3S)-N-(2-furylmethyl)-3-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)	0.86	3.26	-34.44	3	4	1	59	223.296	3	↓ MOL2 SDF SMILES Flexibase

62851696

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-(2-furylmethyl)-3-methyl-piperidine-3-carboxamide (3R)-N-(2-furylmethyl)-3-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)	0.86	3.26	-34.74	3	4	1	59	223.296	3	↓ MOL2 SDF SMILES Flexibase

62851697

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-(2-furylmethyl)-3-propyl-piperidine-3-carboxamide (3S)-N-(2-furylmethyl)-3-propyl-…

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	4.4	-35.64	3	4	1	59	251.35	5	↓ MOL2 SDF SMILES Flexibase

62851698

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-(2-furylmethyl)-3-propyl-piperidine-3-carboxamide (3R)-N-(2-furylmethyl)-3-propyl-…

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	4.45	-36.37	3	4	1	59	251.35	5	↓ MOL2 SDF SMILES Flexibase

62853682

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-N-methyl-N-[(5-methyl-2-furyl)methyl]piperidine-3-carboxamide (3S)-3-ethyl-N-methyl-N-[(5-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)	1.33	5.97	-50.17	2	4	1	50	265.377	4	↓ MOL2 SDF SMILES Flexibase

62853683

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-N-methyl-N-[(5-methyl-2-furyl)methyl]piperidine-3-carboxamide (3R)-3-ethyl-N-methyl-N-[(5-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)	1.33	6.11	-41.73	2	4	1	50	265.377	4	↓ MOL2 SDF SMILES Flexibase

62853684

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N,3-dimethyl-N-[(5-methyl-2-furyl)methyl]piperidine-3-carboxamide (3R)-N,3-dimethyl-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)	0.99	5.69	-34.3	2	4	1	50	251.35	3	↓ MOL2 SDF SMILES Flexibase

62853685

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N,3-dimethyl-N-[(5-methyl-2-furyl)methyl]piperidine-3-carboxamide (3S)-N,3-dimethyl-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)	0.99	5.59	-36.35	2	4	1	50	251.35	3	↓ MOL2 SDF SMILES Flexibase

62853686

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-methyl-N-[(5-methyl-2-furyl)methyl]-3-propyl-piperidine-3-carboxamide (3S)-N-methyl-N-[(5-methyl-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)	1.89	6.73	-50.32	2	4	1	50	279.404	5	↓ MOL2 SDF SMILES Flexibase

62853687

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-methyl-N-[(5-methyl-2-furyl)methyl]-3-propyl-piperidine-3-carboxamide (3R)-N-methyl-N-[(5-methyl-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)	1.89	6.88	-41.94	2	4	1	50	279.404	5	↓ MOL2 SDF SMILES Flexibase

62853782

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-N-(2-furylmethyl)-N-methyl-piperidine-3-carboxamide (3S)-3-ethyl-N-(2-furylmethyl)-N…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.11	5.15	-49.74	2	4	1	50	251.35	4	↓ MOL2 SDF SMILES Flexibase

62853783

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-N-(2-furylmethyl)-N-methyl-piperidine-3-carboxamide (3R)-3-ethyl-N-(2-furylmethyl)-N…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.11	5.29	-41.66	2	4	1	50	251.35	4	↓ MOL2 SDF SMILES Flexibase

62853784

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-(2-furylmethyl)-N,3-dimethyl-piperidine-3-carboxamide (3S)-N-(2-furylmethyl)-N,3-dimet…

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	4.83	-34.61	2	4	1	50	237.323	3	↓ MOL2 SDF SMILES Flexibase

62853785

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-(2-furylmethyl)-N,3-dimethyl-piperidine-3-carboxamide (3R)-N-(2-furylmethyl)-N,3-dimet…

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	4.78	-36.45	2	4	1	50	237.323	3	↓ MOL2 SDF SMILES Flexibase

62853786

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-(2-furylmethyl)-N-methyl-3-propyl-piperidine-3-carboxamide (3S)-N-(2-furylmethyl)-N-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)	1.66	5.91	-49.97	2	4	1	50	265.377	5	↓ MOL2 SDF SMILES Flexibase

62853787

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-(2-furylmethyl)-N-methyl-3-propyl-piperidine-3-carboxamide (3R)-N-(2-furylmethyl)-N-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)	1.66	6.05	-41.82	2	4	1	50	265.377	5	↓ MOL2 SDF SMILES Flexibase

62853848

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-N-[(1S)-1-(2-furyl)ethyl]piperidine-3-carboxamide (3S)-3-ethyl-N-[(1S)-1-(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)	1.75	4.44	-35.34	3	4	1	59	251.35	4	↓ MOL2 SDF SMILES Flexibase

62853849

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-N-[(1S)-1-(2-furyl)ethyl]piperidine-3-carboxamide (3R)-3-ethyl-N-[(1S)-1-(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)	1.75	4.5	-34.84	3	4	1	59	251.35	4	↓ MOL2 SDF SMILES Flexibase

62853850

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-N-[(1R)-1-(2-furyl)ethyl]piperidine-3-carboxamide (3S)-3-ethyl-N-[(1R)-1-(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)	1.75	4.46	-34.85	3	4	1	59	251.35	4	↓ MOL2 SDF SMILES Flexibase

62853851

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-N-[(1R)-1-(2-furyl)ethyl]piperidine-3-carboxamide (3R)-3-ethyl-N-[(1R)-1-(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)	1.75	4.5	-35.56	3	4	1	59	251.35	4	↓ MOL2 SDF SMILES Flexibase

62854970

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-N-[(1S)-1-(5-methyl-2-furyl)ethyl]piperidine-3-carboxamide (3S)-3-ethyl-N-[(1S)-1-(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)	1.97	5.27	-35.35	3	4	1	59	265.377	4	↓ MOL2 SDF SMILES Flexibase

62854971

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-N-[(1S)-1-(5-methyl-2-furyl)ethyl]piperidine-3-carboxamide (3R)-3-ethyl-N-[(1S)-1-(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)	1.97	5.32	-34.92	3	4	1	59	265.377	4	↓ MOL2 SDF SMILES Flexibase

62854972

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-N-[(1R)-1-(5-methyl-2-furyl)ethyl]piperidine-3-carboxamide (3S)-3-ethyl-N-[(1R)-1-(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)	1.97	5.28	-34.87	3	4	1	59	265.377	4	↓ MOL2 SDF SMILES Flexibase

62854973

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-N-[(1R)-1-(5-methyl-2-furyl)ethyl]piperidine-3-carboxamide (3R)-3-ethyl-N-[(1R)-1-(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)	1.97	5.33	-35.63	3	4	1	59	265.377	4	↓ MOL2 SDF SMILES Flexibase

62854974

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-N-[(1R)-1-(5-methyl-2-furyl)ethyl]piperidine-3-carboxamide (3R)-3-methyl-N-[(1R)-1-(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)	1.64	4.89	-34.44	3	4	1	59	251.35	3	↓ MOL2 SDF SMILES Flexibase

62854975

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-N-[(1S)-1-(5-methyl-2-furyl)ethyl]piperidine-3-carboxamide (3R)-3-methyl-N-[(1S)-1-(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)	1.64	4.89	-34.09	3	4	1	59	251.35	3	↓ MOL2 SDF SMILES Flexibase

62854976

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-N-[(1R)-1-(5-methyl-2-furyl)ethyl]piperidine-3-carboxamide (3S)-3-methyl-N-[(1R)-1-(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)	1.64	4.89	-34.08	3	4	1	59	251.35	3	↓ MOL2 SDF SMILES Flexibase

62854977

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-N-[(1S)-1-(5-methyl-2-furyl)ethyl]piperidine-3-carboxamide (3S)-3-methyl-N-[(1S)-1-(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)	1.64	4.89	-34.39	3	4	1	59	251.35	3	↓ MOL2 SDF SMILES Flexibase

62854978

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(1S)-1-(5-methyl-2-furyl)ethyl]-3-propyl-piperidine-3-carboxamide (3S)-N-[(1S)-1-(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)	2.53	6.03	-35.84	3	4	1	59	279.404	5	↓ MOL2 SDF SMILES Flexibase

62854979

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(1S)-1-(5-methyl-2-furyl)ethyl]-3-propyl-piperidine-3-carboxamide (3R)-N-[(1S)-1-(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)	2.53	6.08	-35.3	3	4	1	59	279.404	5	↓ MOL2 SDF SMILES Flexibase

62854980

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(1R)-1-(5-methyl-2-furyl)ethyl]-3-propyl-piperidine-3-carboxamide (3S)-N-[(1R)-1-(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)	2.53	6.04	-35.29	3	4	1	59	279.404	5	↓ MOL2 SDF SMILES Flexibase

62854981

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(1R)-1-(5-methyl-2-furyl)ethyl]-3-propyl-piperidine-3-carboxamide (3R)-N-[(1R)-1-(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)	2.53	6.09	-35.98	3	4	1	59	279.404	5	↓ MOL2 SDF SMILES Flexibase

62856506

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-(2-furylmethyl)-3-methyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (3S)-N-(2-furylmethyl)-3-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)	1.70	6.04	-36.29	2	4	1	50	305.32	5	↓ MOL2 SDF SMILES Flexibase

62856507

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-(2-furylmethyl)-3-methyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (3R)-N-(2-furylmethyl)-3-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)	1.70	6	-36.86	2	4	1	50	305.32	5	↓ MOL2 SDF SMILES Flexibase

62857100

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N,3-diethyl-N-(2-furylmethyl)piperidine-3-carboxamide (3S)-N,3-diethyl-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)	1.48	6.32	-47.15	2	4	1	50	265.377	5	↓ MOL2 SDF SMILES Flexibase

62857101

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N,3-diethyl-N-(2-furylmethyl)piperidine-3-carboxamide (3R)-N,3-diethyl-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)	1.48	5.89	-41.44	2	4	1	50	265.377	5	↓ MOL2 SDF SMILES Flexibase

62857102

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-ethyl-N-(2-furylmethyl)-3-methyl-piperidine-3-carboxamide (3R)-N-ethyl-N-(2-furylmethyl)-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)	1.15	5.65	-34.27	2	4	1	50	251.35	4	↓ MOL2 SDF SMILES Flexibase

62857103

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-ethyl-N-(2-furylmethyl)-3-methyl-piperidine-3-carboxamide (3S)-N-ethyl-N-(2-furylmethyl)-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)	1.15	5.49	-35.89	2	4	1	50	251.35	4	↓ MOL2 SDF SMILES Flexibase

62857104

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-ethyl-N-(2-furylmethyl)-3-propyl-piperidine-3-carboxamide (3S)-N-ethyl-N-(2-furylmethyl)-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)	2.04	7.06	-46.5	2	4	1	50	279.404	6	↓ MOL2 SDF SMILES Flexibase

62857105

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-ethyl-N-(2-furylmethyl)-3-propyl-piperidine-3-carboxamide (3R)-N-ethyl-N-(2-furylmethyl)-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)	2.04	6.5	-41.63	2	4	1	50	279.404	6	↓ MOL2 SDF SMILES Flexibase

62857344

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-N-isopropyl-N-[(5-methyl-2-furyl)methyl]piperidine-3-carboxamide (3S)-3-ethyl-N-isopropyl-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)	2.00	7.07	-47.86	2	4	1	50	293.431	5	↓ MOL2 SDF SMILES Flexibase

62857345

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-N-isopropyl-N-[(5-methyl-2-furyl)methyl]piperidine-3-carboxamide (3R)-3-ethyl-N-isopropyl-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)	2.00	7.09	-41.62	2	4	1	50	293.431	5	↓ MOL2 SDF SMILES Flexibase

62857346

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-isopropyl-3-methyl-N-[(5-methyl-2-furyl)methyl]piperidine-3-carboxamide (3R)-N-isopropyl-3-methyl-N-[(5-…

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	6.83	-37.11	2	4	1	50	279.404	4	↓ MOL2 SDF SMILES Flexibase

62857347

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-isopropyl-3-methyl-N-[(5-methyl-2-furyl)methyl]piperidine-3-carboxamide (3S)-N-isopropyl-3-methyl-N-[(5-…

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	6.77	-36.26	2	4	1	50	279.404	4	↓ MOL2 SDF SMILES Flexibase

62857474

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(5-bromo-2-furyl)methyl]-3-ethyl-N-methyl-piperidine-3-carboxamide (3S)-N-[(5-bromo-2-furyl)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)	2.04	5.88	-51.76	2	4	1	50	330.246	4	↓ MOL2 SDF SMILES Flexibase

62857475

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(5-bromo-2-furyl)methyl]-3-ethyl-N-methyl-piperidine-3-carboxamide (3R)-N-[(5-bromo-2-furyl)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)	2.04	6.02	-42.15	2	4	1	50	330.246	4	↓ MOL2 SDF SMILES Flexibase

62857476

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(5-bromo-2-furyl)methyl]-N,3-dimethyl-piperidine-3-carboxamide (3S)-N-[(5-bromo-2-furyl)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)	1.70	5.57	-34.61	2	4	1	50	316.219	3	↓ MOL2 SDF SMILES Flexibase

62857477

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(5-bromo-2-furyl)methyl]-N,3-dimethyl-piperidine-3-carboxamide (3R)-N-[(5-bromo-2-furyl)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)	1.70	5.51	-37.17	2	4	1	50	316.219	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 154900
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 = 154900 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=154900&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": "154900"        

    });
</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