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

50906776

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-4-hydroxy-1-(4-propylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic (2S,4R)-4-hydroxy-1-(4-propylpip…

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)	-0.10	4.59	-47.32	1	6	-1	84	283.348	3	↓ MOL2 SDF SMILES Flexibase

50906777

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-4-hydroxy-1-(4-propylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic (2S,4S)-4-hydroxy-1-(4-propylpip…

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)	-0.10	4.59	-47.61	1	6	-1	84	283.348	3	↓ MOL2 SDF SMILES Flexibase

50906820

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(4-propylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic (2R)-1-(4-propylpiperidine-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)	0.81	7.63	-49.02	0	5	-1	64	267.349	3	↓ MOL2 SDF SMILES Flexibase

50906822

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(4-propylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic (2S)-1-(4-propylpiperidine-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)	0.81	7.97	-46.96	0	5	-1	64	267.349	3	↓ MOL2 SDF SMILES Flexibase

50906824

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-4-hydroxy-1-(4-propylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic (2R,4R)-4-hydroxy-1-(4-propylpip…

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)	-0.10	4.23	-50.05	1	6	-1	84	283.348	3	↓ MOL2 SDF SMILES Flexibase

50906825

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-4-hydroxy-1-(4-propylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic (2R,4S)-4-hydroxy-1-(4-propylpip…

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)	-0.10	4.23	-49.22	1	6	-1	84	283.348	3	↓ MOL2 SDF SMILES Flexibase

50906865

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-4-methoxy-1-(4-propylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic (2R,4R)-4-methoxy-1-(4-propylpip…

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)	0.51	6.49	-49.42	0	6	-1	73	297.375	4	↓ MOL2 SDF SMILES Flexibase

50906868

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-4-methoxy-1-(4-propylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic (2R,4S)-4-methoxy-1-(4-propylpip…

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)	0.51	6.49	-48.74	0	6	-1	73	297.375	4	↓ MOL2 SDF SMILES Flexibase

50906869

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-4-methoxy-1-(4-propylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic (2S,4R)-4-methoxy-1-(4-propylpip…

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)	0.51	7.07	-43.26	0	6	-1	73	297.375	4	↓ MOL2 SDF SMILES Flexibase

50906872

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-4-methoxy-1-(4-propylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic (2S,4S)-4-methoxy-1-(4-propylpip…

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)	0.51	7.02	-46.33	0	6	-1	73	297.375	4	↓ MOL2 SDF SMILES Flexibase

50906928

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R)-1-(4-propylpiperidine-1-carbonyl)pyrrolidin-2-yl]acetic 2-[(2R)-1-(4-propylpiperidine-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)	2.54	9.52	-70.37	0	5	-1	64	281.376	4	↓ MOL2 SDF SMILES Flexibase

50906930

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-1-(4-propylpiperidine-1-carbonyl)pyrrolidin-2-yl]acetic 2-[(2S)-1-(4-propylpiperidine-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)	2.54	9.31	-68.26	0	5	-1	64	281.376	4	↓ MOL2 SDF SMILES Flexibase

59817311

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-piperidyl(pyrrolidin-1-yl)methanone 1-piperidyl(pyrrolidin-1-yl)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)	1.55	4.96	-9.63	0	3	0	24	182.267	0	↓ MOL2 SDF SMILES Flexibase

60489450

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide N-(2-diethylaminoethyl)-1-(pyrro…

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)	1.30	6.52	-47.69	2	6	1	57	325.477	6	↓ MOL2 SDF SMILES Flexibase

60489454

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-dimethylaminoethyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide N-(2-dimethylaminoethyl)-1-(pyrr…

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)	0.55	5.25	-49.65	2	6	1	57	297.423	4	↓ MOL2 SDF SMILES Flexibase

60489477

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-acetamidoethyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide N-(2-acetamidoethyl)-1-(pyrrolid…

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)	-0.33	2.3	-20	2	7	0	82	310.398	4	↓ MOL2 SDF SMILES Flexibase

60489873

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(isopropylamino)-2-oxo-ethyl]-N-methyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide N-[2-(isopropylamino)-2-oxo-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)	1.04	5.37	-23.2	1	7	0	73	338.452	4	↓ MOL2 SDF SMILES Flexibase

60613297

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethoxy-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide N-ethoxy-1-(pyrrolidine-1-carbon…

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)	0.85	5.02	-18.38	1	6	0	62	269.345	3	↓ MOL2 SDF SMILES Flexibase

62842679

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic 4-methyl-1-(pyrrolidine-1-carbon…

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)	0.90	5.75	-52.34	0	5	-1	64	239.295	1	↓ MOL2 SDF SMILES Flexibase

62842970

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R)-2-carbamoylpyrrolidine-1-carbonyl]-4-methyl-piperidine-4-carboxylic 1-[(2R)-2-carbamoylpyrrolidine-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)	0.18	1.97	-56.87	2	7	-1	107	282.32	2	↓ MOL2 SDF SMILES Flexibase

62842971

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-2-carbamoylpyrrolidine-1-carbonyl]-4-methyl-piperidine-4-carboxylic 1-[(2S)-2-carbamoylpyrrolidine-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)	0.18	2.93	-58.18	2	7	-1	107	282.32	2	↓ MOL2 SDF SMILES Flexibase

62843141

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R)-2-methoxycarbonylpyrrolidine-1-carbonyl]-4-methyl-piperidine-4-carboxylic 1-[(2R)-2-methoxycarbonylpyrroli…

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)	0.75	6.34	-52.66	0	7	-1	90	297.331	3	↓ MOL2 SDF SMILES Flexibase

62843142

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-2-methoxycarbonylpyrrolidine-1-carbonyl]-4-methyl-piperidine-4-carboxylic 1-[(2S)-2-methoxycarbonylpyrroli…

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)	0.75	6.9	-54.2	0	7	-1	90	297.331	3	↓ MOL2 SDF SMILES Flexibase

62843345

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-1-[(2R)-2-methylpyrrolidine-1-carbonyl]piperidine-4-carboxylic 4-methyl-1-[(2R)-2-methylpyrroli…

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)	1.23	6.31	-52.75	0	5	-1	64	253.322	1	↓ MOL2 SDF SMILES Flexibase

62843346

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-1-[(2S)-2-methylpyrrolidine-1-carbonyl]piperidine-4-carboxylic 4-methyl-1-[(2S)-2-methylpyrroli…

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)	1.23	6.68	-53.13	0	5	-1	64	253.322	1	↓ MOL2 SDF SMILES Flexibase

62843348

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R)-2-ethylpyrrolidine-1-carbonyl]-4-methyl-piperidine-4-carboxylic 1-[(2R)-2-ethylpyrrolidine-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)	1.77	7.28	-52.1	0	5	-1	64	267.349	2	↓ MOL2 SDF SMILES Flexibase

62843349

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-2-ethylpyrrolidine-1-carbonyl]-4-methyl-piperidine-4-carboxylic 1-[(2S)-2-ethylpyrrolidine-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)	1.77	6.99	-50.33	0	5	-1	64	267.349	2	↓ MOL2 SDF SMILES Flexibase

62843371

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-1-[(3R)-3-methylpyrrolidine-1-carbonyl]piperidine-4-carboxylic 4-methyl-1-[(3R)-3-methylpyrroli…

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)	1.38	6.31	-50.74	0	5	-1	64	253.322	1	↓ MOL2 SDF SMILES Flexibase

62843372

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-1-[(3S)-3-methylpyrrolidine-1-carbonyl]piperidine-4-carboxylic 4-methyl-1-[(3S)-3-methylpyrroli…

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)	1.38	6.37	-52.27	0	5	-1	64	253.322	1	↓ MOL2 SDF SMILES Flexibase

62843419

Analogs

42435113
42435114

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-4-methyl-piperidine-4-carboxylic 1-[(2R)-2-(hydroxymethyl)pyrroli…

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	3	-51.88	1	6	-1	84	269.321	2	↓ MOL2 SDF SMILES Flexibase

62843420

Analogs

42435113
42435114

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-4-methyl-piperidine-4-carboxylic 1-[(2S)-2-(hydroxymethyl)pyrroli…

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	3.57	-53.12	1	6	-1	84	269.321	2	↓ MOL2 SDF SMILES Flexibase

62843696

Analogs

42397217
42397221

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-1-[(2R)-2-(methylcarbamoyl)pyrrolidine-1-carbonyl]piperidine-4-carboxylic 4-methyl-1-[(2R)-2-(methylcarbam…

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)	0.00	3.51	-56.75	1	7	-1	93	296.347	2	↓ MOL2 SDF SMILES Flexibase

62843697

Analogs

42397217
42397221

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-1-[(2S)-2-(methylcarbamoyl)pyrrolidine-1-carbonyl]piperidine-4-carboxylic 4-methyl-1-[(2S)-2-(methylcarbam…

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)	0.00	4.48	-57.98	1	7	-1	93	296.347	2	↓ MOL2 SDF SMILES Flexibase

62843892

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3R)-3-(aminomethyl)pyrrolidine-1-carbonyl]-4-methyl-piperidine-4-carboxylic 1-[(3R)-3-(aminomethyl)pyrrolidi…

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)	-0.19	3.65	-90.21	3	6	0	91	269.345	2	↓ MOL2 SDF SMILES Flexibase

62843893

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3S)-3-(aminomethyl)pyrrolidine-1-carbonyl]-4-methyl-piperidine-4-carboxylic 1-[(3S)-3-(aminomethyl)pyrrolidi…

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)	-0.19	3.71	-92.42	3	6	0	91	269.345	2	↓ MOL2 SDF SMILES Flexibase

62843934

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R)-2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-4-methyl-piperidine-4-carboxylic 1-[(2R)-2-(3-hydroxypropyl)pyrro…

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)	0.80	4.3	-54.32	1	6	-1	84	297.375	4	↓ MOL2 SDF SMILES Flexibase

62843935

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-4-methyl-piperidine-4-carboxylic 1-[(2S)-2-(3-hydroxypropyl)pyrro…

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)	0.80	4.33	-53.78	1	6	-1	84	297.375	4	↓ MOL2 SDF SMILES Flexibase

62843953

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R)-2-(dimethylaminomethyl)pyrrolidine-1-carbonyl]-4-methyl-piperidine-4-carboxylic 1-[(2R)-2-(dimethylaminomethyl)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)	0.92	7.03	-68.23	1	6	0	68	297.399	3	↓ MOL2 SDF SMILES Flexibase

62843954

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-2-(dimethylaminomethyl)pyrrolidine-1-carbonyl]-4-methyl-piperidine-4-carboxylic 1-[(2S)-2-(dimethylaminomethyl)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)	0.92	7.23	-78.64	1	6	0	68	297.399	3	↓ MOL2 SDF SMILES Flexibase

62843957

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-4-methyl-piperidine-4-carboxylic 1-[(3S)-3-hydroxypyrrolidine-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)	-0.01	2.28	-53.17	1	6	-1	84	255.294	1	↓ MOL2 SDF SMILES Flexibase

62843958

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-4-methyl-piperidine-4-carboxylic 1-[(3R)-3-hydroxypyrrolidine-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)	-0.01	2.38	-52.72	1	6	-1	84	255.294	1	↓ MOL2 SDF SMILES Flexibase

62846089

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-propyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic 4-propyl-1-(pyrrolidine-1-carbon…

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)	1.80	7.01	-52.84	0	5	-1	64	267.349	3	↓ MOL2 SDF SMILES Flexibase

62846091

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic 4-ethyl-1-(pyrrolidine-1-carbony…

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)	1.24	6.24	-52.34	0	5	-1	64	253.322	2	↓ MOL2 SDF SMILES Flexibase

62846508

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R)-2-carbamoylpyrrolidine-1-carbonyl]-4-ethyl-piperidine-4-carboxylic 1-[(2R)-2-carbamoylpyrrolidine-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)	0.52	2.41	-56.24	2	7	-1	107	296.347	3	↓ MOL2 SDF SMILES Flexibase

62846509

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-2-carbamoylpyrrolidine-1-carbonyl]-4-ethyl-piperidine-4-carboxylic 1-[(2S)-2-carbamoylpyrrolidine-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)	0.52	3.42	-58.38	2	7	-1	107	296.347	3	↓ MOL2 SDF SMILES Flexibase

62846860

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-2-methylpyrrolidine-1-carbonyl]-4-propyl-piperidine-4-carboxylic 1-[(2S)-2-methylpyrrolidine-1-ca…

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)	2.13	7.45	-51.33	0	5	-1	64	281.376	3	↓ MOL2 SDF SMILES Flexibase

62846861

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R)-2-methylpyrrolidine-1-carbonyl]-4-propyl-piperidine-4-carboxylic 1-[(2R)-2-methylpyrrolidine-1-ca…

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)	2.13	7.99	-52.76	0	5	-1	64	281.376	3	↓ MOL2 SDF SMILES Flexibase

62846862

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-1-[(2S)-2-methylpyrrolidine-1-carbonyl]piperidine-4-carboxylic 4-ethyl-1-[(2S)-2-methylpyrrolid…

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)	1.57	6.68	-50.92	0	5	-1	64	267.349	2	↓ MOL2 SDF SMILES Flexibase

62846863

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-1-[(2R)-2-methylpyrrolidine-1-carbonyl]piperidine-4-carboxylic 4-ethyl-1-[(2R)-2-methylpyrrolid…

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)	1.57	7.24	-52.24	0	5	-1	64	267.349	2	↓ MOL2 SDF SMILES Flexibase

62846864

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-2-ethylpyrrolidine-1-carbonyl]-4-propyl-piperidine-4-carboxylic 1-[(2S)-2-ethylpyrrolidine-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)	2.66	8.37	-51.94	0	5	-1	64	295.403	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 16934
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 = 16934 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=16934&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": "16934"        

    });
</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