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

747139

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(4-methylpiperidino)-3-(piperidine-1-carbonyl)phenyl]propionamide N-[4-(4-methylpiperidino)-3-(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)	3.05	-2.04	-12.45	1	5	0	52	357.498	4	↓ MOL2 SDF SMILES Flexibase

747144

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[4-(4-methylpiperidino)-3-(piperidine-1-carbonyl)phenyl]propionamide 2-methyl-N-[4-(4-methylpiperidin…

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)	3.29	-1.68	-11.85	1	5	0	52	371.525	4	↓ MOL2 SDF SMILES Flexibase

747171

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-N-[4-(4-methylpiperidino)-3-(piperidine-1-carbonyl)phenyl]butyramide 3-methyl-N-[4-(4-methylpiperidin…

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)	3.82	-1.55	-11.74	1	5	0	52	385.552	5	↓ MOL2 SDF SMILES Flexibase

747178

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,1-dimethyl-3-[4-(4-methylpiperidino)-3-(piperidine-1-carbonyl)phenyl]urea 1,1-dimethyl-3-[4-(4-methylpiper…

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)	2.35	-2.25	-12.89	1	6	0	55	372.513	3	↓ MOL2 SDF SMILES Flexibase

747181

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-chloro-N-[4-(4-methylpiperidino)-3-(piperidine-1-carbonyl)phenyl]propionamide (2R)-2-chloro-N-[4-(4-methylpipe…

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)	3.14	-2.31	-16	1	5	0	52	391.943	4	↓ MOL2 SDF SMILES Flexibase

747182

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-chloro-N-[4-(4-methylpiperidino)-3-(piperidine-1-carbonyl)phenyl]propionamide (2S)-2-chloro-N-[4-(4-methylpipe…

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)	3.14	-2.27	-11.94	1	5	0	52	391.943	4	↓ MOL2 SDF SMILES Flexibase

749666

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(4-methylpiperidine-1-carbonyl)-4-piperidino-phenyl]propionamide N-[3-(4-methylpiperidine-1-carbo…

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	-1.62	-12.55	1	5	0	52	357.498	4	↓ MOL2 SDF SMILES Flexibase

749668

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,2-dimethyl-N-[3-(4-methylpiperidine-1-carbonyl)-4-piperidino-phenyl]propionamide 2,2-dimethyl-N-[3-(4-methylpiper…

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)	3.87	-0.78	-11.67	1	5	0	52	385.552	4	↓ MOL2 SDF SMILES Flexibase

749675

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[3-(4-methylpiperidine-1-carbonyl)-4-piperidino-phenyl]propionamide 2-methyl-N-[3-(4-methylpiperidin…

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)	3.29	-1.25	-11.92	1	5	0	52	371.525	4	↓ MOL2 SDF SMILES Flexibase

749683

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,3-dimethyl-N-[3-(4-methylpiperidine-1-carbonyl)-4-piperidino-phenyl]butyramide 3,3-dimethyl-N-[3-(4-methylpiper…

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)	4.14	-0.73	-11.25	1	5	0	52	399.579	5	↓ MOL2 SDF SMILES Flexibase

749705

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-N-[3-(4-methylpiperidine-1-carbonyl)-4-piperidino-phenyl]butyramide 3-methyl-N-[3-(4-methylpiperidin…

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)	3.82	-1.13	-11.86	1	5	0	52	385.552	5	↓ MOL2 SDF SMILES Flexibase

749714

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,1-dimethyl-3-[3-(4-methylpiperidine-1-carbonyl)-4-piperidino-phenyl]urea 1,1-dimethyl-3-[3-(4-methylpiper…

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)	2.35	-1.83	-13	1	6	0	55	372.513	3	↓ MOL2 SDF SMILES Flexibase

749717

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-chloro-N-[3-(4-methylpiperidine-1-carbonyl)-4-piperidino-phenyl]propionamide (2R)-2-chloro-N-[3-(4-methylpipe…

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)	3.14	-1.96	-15.49	1	5	0	52	391.943	4	↓ MOL2 SDF SMILES Flexibase

749718

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-chloro-N-[3-(4-methylpiperidine-1-carbonyl)-4-piperidino-phenyl]propionamide (2S)-2-chloro-N-[3-(4-methylpipe…

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)	3.14	-1.82	-13.64	1	5	0	52	391.943	4	↓ MOL2 SDF SMILES Flexibase

749965

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidino)phenyl]acetamide 2-chloro-N-[3-(4-methylpiperidin…

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)	3.02	-2.1	-14.25	1	5	0	52	391.943	4	↓ MOL2 SDF SMILES Flexibase

749967

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidino)phenyl]propionamide N-[3-(4-methylpiperidine-1-carbo…

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)	3.29	-1.74	-12.43	1	5	0	52	371.525	4	↓ MOL2 SDF SMILES Flexibase

749968

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidino)phenyl]butyramide N-[3-(4-methylpiperidine-1-carbo…

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)	3.85	-1.59	-12.22	1	5	0	52	385.552	5	↓ MOL2 SDF SMILES Flexibase

749969

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,2-dimethyl-N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidino)phenyl]propionamide 2,2-dimethyl-N-[3-(4-methylpiper…

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)	4.11	-0.9	-11.59	1	5	0	52	399.579	4	↓ MOL2 SDF SMILES Flexibase

749974

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidino)phenyl]propionamide 2-methyl-N-[3-(4-methylpiperidin…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.53	-1.38	-11.9	1	5	0	52	385.552	4	↓ MOL2 SDF SMILES Flexibase

749977

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidino)phenyl]acetamide N-[3-(4-methylpiperidine-1-carbo…

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)	2.45	-1.79	-16.59	1	5	0	52	357.498	3	↓ MOL2 SDF SMILES Flexibase

749983

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,3-dimethyl-N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidino)phenyl]butyramide 3,3-dimethyl-N-[3-(4-methylpiper…

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)	4.38	-0.85	-11.02	1	5	0	52	413.606	5	↓ MOL2 SDF SMILES Flexibase

750000

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidino)phenyl]butyramide 3-methyl-N-[3-(4-methylpiperidin…

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)	4.06	-1.25	-11.74	1	5	0	52	399.579	5	↓ MOL2 SDF SMILES Flexibase

750009

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,1-dimethyl-3-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidino)phenyl]urea 1,1-dimethyl-3-[3-(4-methylpiper…

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	-1.74	-12.94	1	6	0	55	386.54	3	↓ MOL2 SDF SMILES Flexibase

750012

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-chloro-N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidino)phenyl]propionamide (2R)-2-chloro-N-[3-(4-methylpipe…

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)	3.38	-1.96	-15.52	1	5	0	52	405.97	4	↓ MOL2 SDF SMILES Flexibase

750013

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-chloro-N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidino)phenyl]propionamide (2S)-2-chloro-N-[3-(4-methylpipe…

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)	3.38	-1.97	-11.99	1	5	0	52	405.97	4	↓ MOL2 SDF SMILES Flexibase

750908

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethyl-3-[3-(4-methylpiperidine-1-carbonyl)-4-piperidino-phenyl]urea 1-ethyl-3-[3-(4-methylpiperidine…

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)	2.88	-3.92	-12.66	2	6	0	64	372.513	4	↓ MOL2 SDF SMILES Flexibase

751125

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethyl-3-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidino)phenyl]urea 1-ethyl-3-[3-(4-methylpiperidine…

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)	3.12	-4.04	-12.61	2	6	0	64	386.54	4	↓ MOL2 SDF SMILES Flexibase

57984029

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-dimethyl-3-(piperidine-1-carbonyl)-4-(1-piperidyl)benzenesulfonamide N,N-dimethyl-3-(piperidine-1-car…

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)	2.06	7.6	-10.83	0	6	0	61	379.526	4	↓ MOL2 SDF SMILES Flexibase

37276374

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(4-amino-1-piperidyl)phenyl]-(1-piperidyl)methanone [2-(4-amino-1-piperidyl)phenyl]-…

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)	1.13	6.83	-39.44	3	4	1	51	288.415	2	↓ MOL2 SDF SMILES Flexibase

37276378

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(4-amino-1-piperidyl)phenyl]-(4-methyl-1-piperidyl)methanone [2-(4-amino-1-piperidyl)phenyl]-…

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)	1.37	7.42	-39.8	3	4	1	51	302.442	2	↓ MOL2 SDF SMILES Flexibase

37276386

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[2-(4-amino-1-piperidyl)benzoyl]-N,N-diethyl-piperidine-3-carboxamide (3R)-1-[2-(4-amino-1-piperidyl)b…

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)	1.10	8.52	-52.71	3	6	1	71	387.548	5	↓ MOL2 SDF SMILES Flexibase

37276388

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[2-(4-amino-1-piperidyl)benzoyl]-N,N-diethyl-piperidine-3-carboxamide (3S)-1-[2-(4-amino-1-piperidyl)b…

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)	1.10	8.61	-45.17	3	6	1	71	387.548	5	↓ MOL2 SDF SMILES Flexibase

37276997

Analogs

35810688

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-N-[1-[2-(piperidine-1-carbonyl)phenyl]-4-piperidyl]butanamide 3-methyl-N-[1-[2-(piperidine-1-c…

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)	3.02	10.1	-10.05	1	5	0	53	371.525	5	↓ MOL2 SDF SMILES Flexibase

37277003

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-[1-[2-(piperidine-1-carbonyl)phenyl]-4-piperidyl]acetamide 2-methoxy-N-[1-[2-(piperidine-1-…

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)	1.35	8.11	-13.56	1	6	0	62	359.47	5	↓ MOL2 SDF SMILES Flexibase

37277008

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-methyl-N-[1-[2-(piperidine-1-carbonyl)phenyl]-4-piperidyl]butanamide (2R)-2-methyl-N-[1-[2-(piperidin…

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)	2.99	10.06	-10.4	1	5	0	53	371.525	5	↓ MOL2 SDF SMILES Flexibase

37277010

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-methyl-N-[1-[2-(piperidine-1-carbonyl)phenyl]-4-piperidyl]butanamide (2S)-2-methyl-N-[1-[2-(piperidin…

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)	2.99	10.05	-10.4	1	5	0	53	371.525	5	↓ MOL2 SDF SMILES Flexibase

37277029

Analogs

35810778

Draw Identity 99% 90% 80% 70%

Popular Name: N-[1-[2-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]-4-piperidyl]acetamide N-[1-[2-[(2R)-2-methylpiperidine…

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)	1.73	8.47	-10.14	1	5	0	53	343.471	3	↓ MOL2 SDF SMILES Flexibase

37277031

Analogs

35810778

Draw Identity 99% 90% 80% 70%

Popular Name: N-[1-[2-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-4-piperidyl]acetamide N-[1-[2-[(2S)-2-methylpiperidine…

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)	1.73	8.19	-9.08	1	5	0	53	343.471	3	↓ MOL2 SDF SMILES Flexibase

37277033

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[1-[2-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]-4-piperidyl]propanamide 2-methyl-N-[1-[2-[(2R)-2-methylp…

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)	2.82	9.96	-9.52	1	5	0	53	371.525	4	↓ MOL2 SDF SMILES Flexibase

37277035

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[1-[2-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-4-piperidyl]propanamide 2-methyl-N-[1-[2-[(2S)-2-methylp…

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)	2.82	9.68	-8.49	1	5	0	53	371.525	4	↓ MOL2 SDF SMILES Flexibase

37277050

Analogs

35810780
35810782

Draw Identity 99% 90% 80% 70%

Popular Name: 3,3-dimethyl-N-[1-[2-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]-4-piperidyl]butanamide 3,3-dimethyl-N-[1-[2-[(2R)-2-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)	3.67	11.38	-12.49	1	5	0	53	399.579	5	↓ MOL2 SDF SMILES Flexibase

37277052

Analogs

35810780
35810782

Draw Identity 99% 90% 80% 70%

Popular Name: 3,3-dimethyl-N-[1-[2-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-4-piperidyl]butanamide 3,3-dimethyl-N-[1-[2-[(2S)-2-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)	3.67	10.89	-7.17	1	5	0	53	399.579	5	↓ MOL2 SDF SMILES Flexibase

37277059

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,2-dimethyl-N-[1-[2-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]-4-piperidyl]propanamide 2,2-dimethyl-N-[1-[2-[(2R)-2-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)	3.73	10.73	-13.98	1	5	0	53	385.552	4	↓ MOL2 SDF SMILES Flexibase

37277061

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,2-dimethyl-N-[1-[2-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-4-piperidyl]propanamide 2,2-dimethyl-N-[1-[2-[(2S)-2-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)	3.73	10.24	-8.42	1	5	0	53	385.552	4	↓ MOL2 SDF SMILES Flexibase

37277068

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[1-[2-(4-methylpiperidine-1-carbonyl)phenyl]-4-piperidyl]propanamide 2-methyl-N-[1-[2-(4-methylpiperi…

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)	2.73	10.03	-14.26	1	5	0	53	371.525	4	↓ MOL2 SDF SMILES Flexibase

37277080

Analogs

35810688

Draw Identity 99% 90% 80% 70%

Popular Name: 3,3-dimethyl-N-[1-[2-(4-methylpiperidine-1-carbonyl)phenyl]-4-piperidyl]butanamide 3,3-dimethyl-N-[1-[2-(4-methylpi…

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)	3.58	11.25	-12.78	1	5	0	53	399.579	5	↓ MOL2 SDF SMILES Flexibase

37277090

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-[1-[2-(4-methylpiperidine-1-carbonyl)phenyl]-4-piperidyl]acetamide 2-methoxy-N-[1-[2-(4-methylpiper…

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)	1.59	8.73	-17.62	1	6	0	62	373.497	5	↓ MOL2 SDF SMILES Flexibase

37277098

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,2-dimethyl-N-[1-[2-(4-methylpiperidine-1-carbonyl)phenyl]-4-piperidyl]propanamide 2,2-dimethyl-N-[1-[2-(4-methylpi…

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)	3.64	10.6	-14.16	1	5	0	53	385.552	4	↓ MOL2 SDF SMILES Flexibase

37277466

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-tert-butyl-3-[1-[2-(4-methylpiperidine-1-carbonyl)phenyl]-4-piperidyl]urea 1-tert-butyl-3-[1-[2-(4-methylpi…

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)	3.12	9.27	-14.27	2	6	0	65	400.567	4	↓ MOL2 SDF SMILES Flexibase

37277468

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethyl-3-[1-[2-(4-methylpiperidine-1-carbonyl)phenyl]-4-piperidyl]urea 1-ethyl-3-[1-[2-(4-methylpiperid…

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	7.96	-10.6	2	6	0	65	372.513	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 654
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 = 654 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=654&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": "654"        

    });
</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