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

50906768

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[cyclopropylmethyl-(4-propylpiperidine-1-carbonyl)amino]acetic 2-[cyclopropylmethyl-(4-propylpi…

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)	1.83	9.5	-45.18	0	5	-1	64	281.376	6	↓ MOL2 SDF SMILES Flexibase

50906800

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-cyclopropyl-2-[(4-propylpiperidine-1-carbonyl)amino]propanoic (2S)-2-cyclopropyl-2-[(4-propylp…

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)	1.51	8.47	-57.56	1	5	-1	72	281.376	5	↓ MOL2 SDF SMILES Flexibase

50906801

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-cyclopropyl-2-[(4-propylpiperidine-1-carbonyl)amino]propanoic (2R)-2-cyclopropyl-2-[(4-propylp…

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)	1.51	8.33	-58.68	1	5	-1	72	281.376	5	↓ MOL2 SDF SMILES Flexibase

62842715

Analogs

34959779

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(cyclopropylmethylcarbamoyl)-4-methyl-piperidine-4-carboxylic 1-(cyclopropylmethylcarbamoyl)-4…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.68	5.79	-49.34	1	5	-1	72	239.295	3	↓ MOL2 SDF SMILES Flexibase

62843164

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(1S)-1-cyclopropylethyl]carbamoyl]-4-methyl-piperidine-4-carboxylic 1-[[(1S)-1-cyclopropylethyl]carb…

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)	2.01	6.34	-49.14	1	5	-1	72	253.322	3	↓ MOL2 SDF SMILES Flexibase

62843165

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(1R)-1-cyclopropylethyl]carbamoyl]-4-methyl-piperidine-4-carboxylic 1-[[(1R)-1-cyclopropylethyl]carb…

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)	2.01	6.45	-49.29	1	5	-1	72	253.322	3	↓ MOL2 SDF SMILES Flexibase

62843231

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(1S)-1-cyclopropylethyl]-methyl-carbamoyl]-4-methyl-piperidine-4-carboxylic 1-[[(1S)-1-cyclopropylethyl]-met…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.70	7.67	-52.25	0	5	-1	64	267.349	3	↓ MOL2 SDF SMILES Flexibase

62843232

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(1R)-1-cyclopropylethyl]-methyl-carbamoyl]-4-methyl-piperidine-4-carboxylic 1-[[(1R)-1-cyclopropylethyl]-met…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.70	7.71	-52.79	0	5	-1	64	267.349	3	↓ MOL2 SDF SMILES Flexibase

62843351

Analogs

34959779

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[cyclopropylmethyl(methyl)carbamoyl]-4-methyl-piperidine-4-carboxylic 1-[cyclopropylmethyl(methyl)carb…

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	7.34	-52.5	0	5	-1	64	253.322	3	↓ MOL2 SDF SMILES Flexibase

62843487

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[cyclopropylmethyl(propyl)carbamoyl]-4-methyl-piperidine-4-carboxylic 1-[cyclopropylmethyl(propyl)carb…

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)	2.25	8.64	-51.67	0	5	-1	64	281.376	5	↓ MOL2 SDF SMILES Flexibase

62843786

Analogs

42596487

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[cyclopropylmethyl(isopropyl)carbamoyl]-4-methyl-piperidine-4-carboxylic 1-[cyclopropylmethyl(isopropyl)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)	2.04	8.27	-51	0	5	-1	64	281.376	4	↓ MOL2 SDF SMILES Flexibase

62846193

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(cyclopropylmethylcarbamoyl)-4-propyl-piperidine-4-carboxylic 1-(cyclopropylmethylcarbamoyl)-4…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.57	7.05	-49.05	1	5	-1	72	267.349	5	↓ MOL2 SDF SMILES Flexibase

62846194

Analogs

34959779

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(cyclopropylmethylcarbamoyl)-4-ethyl-piperidine-4-carboxylic 1-(cyclopropylmethylcarbamoyl)-4…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.01	6.28	-48.63	1	5	-1	72	253.322	4	↓ MOL2 SDF SMILES Flexibase

62846731

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(1S)-1-cyclopropylethyl]carbamoyl]-4-propyl-piperidine-4-carboxylic 1-[[(1S)-1-cyclopropylethyl]carb…

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)	2.90	7.62	-49.1	1	5	-1	72	281.376	5	↓ MOL2 SDF SMILES Flexibase

62846732

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(1R)-1-cyclopropylethyl]carbamoyl]-4-propyl-piperidine-4-carboxylic 1-[[(1R)-1-cyclopropylethyl]carb…

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)	2.90	7.75	-49.43	1	5	-1	72	281.376	5	↓ MOL2 SDF SMILES Flexibase

62846733

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(1S)-1-cyclopropylethyl]carbamoyl]-4-ethyl-piperidine-4-carboxylic 1-[[(1S)-1-cyclopropylethyl]carb…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.34	6.89	-48.71	1	5	-1	72	267.349	4	↓ MOL2 SDF SMILES Flexibase

62846734

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(1R)-1-cyclopropylethyl]carbamoyl]-4-ethyl-piperidine-4-carboxylic 1-[[(1R)-1-cyclopropylethyl]carb…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.34	6.98	-48.95	1	5	-1	72	267.349	4	↓ MOL2 SDF SMILES Flexibase

62846804

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(1S)-1-cyclopropylethyl]-methyl-carbamoyl]-4-propyl-piperidine-4-carboxylic 1-[[(1S)-1-cyclopropylethyl]-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)	2.60	8.92	-53.37	0	5	-1	64	295.403	5	↓ MOL2 SDF SMILES Flexibase

62846805

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(1R)-1-cyclopropylethyl]-methyl-carbamoyl]-4-propyl-piperidine-4-carboxylic 1-[[(1R)-1-cyclopropylethyl]-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)	2.60	8.98	-53.2	0	5	-1	64	295.403	5	↓ MOL2 SDF SMILES Flexibase

62846809

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(1S)-1-cyclopropylethyl]-methyl-carbamoyl]-4-ethyl-piperidine-4-carboxylic 1-[[(1S)-1-cyclopropylethyl]-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)	2.04	8.16	-52.91	0	5	-1	64	281.376	4	↓ MOL2 SDF SMILES Flexibase

62846810

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(1R)-1-cyclopropylethyl]-methyl-carbamoyl]-4-ethyl-piperidine-4-carboxylic 1-[[(1R)-1-cyclopropylethyl]-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)	2.04	8.22	-52.71	0	5	-1	64	281.376	4	↓ MOL2 SDF SMILES Flexibase

62846868

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[cyclopropylmethyl(methyl)carbamoyl]-4-propyl-piperidine-4-carboxylic 1-[cyclopropylmethyl(methyl)carb…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.27	8.6	-52.99	0	5	-1	64	281.376	5	↓ MOL2 SDF SMILES Flexibase

62846869

Analogs

34959779

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[cyclopropylmethyl(methyl)carbamoyl]-4-ethyl-piperidine-4-carboxylic 1-[cyclopropylmethyl(methyl)carb…

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	7.83	-52.5	0	5	-1	64	267.349	4	↓ MOL2 SDF SMILES Flexibase

62847089

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[cyclopropylmethyl(propyl)carbamoyl]-4-ethyl-piperidine-4-carboxylic 1-[cyclopropylmethyl(propyl)carb…

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)	2.58	9.13	-51.38	0	5	-1	64	295.403	6	↓ MOL2 SDF SMILES Flexibase

62847283

Analogs

42596487

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[cyclopropylmethyl(isopropyl)carbamoyl]-4-ethyl-piperidine-4-carboxylic 1-[cyclopropylmethyl(isopropyl)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)	2.38	8.33	-52.16	0	5	-1	64	295.403	5	↓ MOL2 SDF SMILES Flexibase

62872080

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(cyclopropylmethylcarbamoyl)-3-methyl-piperidine-3-carboxylic (3S)-1-(cyclopropylmethylcarbamo…

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)	1.68	6.25	-53.1	1	5	-1	72	239.295	3	↓ MOL2 SDF SMILES Flexibase

62872081

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(cyclopropylmethylcarbamoyl)-3-methyl-piperidine-3-carboxylic (3R)-1-(cyclopropylmethylcarbamo…

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)	1.68	6.24	-52.94	1	5	-1	72	239.295	3	↓ MOL2 SDF SMILES Flexibase

62872082

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(cyclopropylmethylcarbamoyl)-3-ethyl-piperidine-3-carboxylic (3S)-1-(cyclopropylmethylcarbamo…

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)	2.01	6.71	-51.13	1	5	-1	72	253.322	4	↓ MOL2 SDF SMILES Flexibase

62872083

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(cyclopropylmethylcarbamoyl)-3-ethyl-piperidine-3-carboxylic (3R)-1-(cyclopropylmethylcarbamo…

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)	2.01	6.73	-50.99	1	5	-1	72	253.322	4	↓ MOL2 SDF SMILES Flexibase

62872084

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(cyclopropylmethylcarbamoyl)-3-propyl-piperidine-3-carboxylic (3S)-1-(cyclopropylmethylcarbamo…

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)	2.57	7.47	-51.6	1	5	-1	72	267.349	5	↓ MOL2 SDF SMILES Flexibase

62872085

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(cyclopropylmethylcarbamoyl)-3-propyl-piperidine-3-carboxylic (3R)-1-(cyclopropylmethylcarbamo…

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)	2.57	7.48	-51.41	1	5	-1	72	267.349	5	↓ MOL2 SDF SMILES Flexibase

62873845

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[[(1S)-1-cyclopropylethyl]carbamoyl]-3-methyl-piperidine-3-carboxylic (3R)-1-[[(1S)-1-cyclopropylethyl…

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)	2.01	6.82	-53.42	1	5	-1	72	253.322	3	↓ MOL2 SDF SMILES Flexibase

62873846

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[[(1R)-1-cyclopropylethyl]carbamoyl]-3-methyl-piperidine-3-carboxylic (3R)-1-[[(1R)-1-cyclopropylethyl…

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)	2.01	6.93	-53.85	1	5	-1	72	253.322	3	↓ MOL2 SDF SMILES Flexibase

62873847

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[[(1S)-1-cyclopropylethyl]carbamoyl]-3-methyl-piperidine-3-carboxylic (3S)-1-[[(1S)-1-cyclopropylethyl…

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)	2.01	6.84	-53.17	1	5	-1	72	253.322	3	↓ MOL2 SDF SMILES Flexibase

62873848

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[[(1R)-1-cyclopropylethyl]carbamoyl]-3-methyl-piperidine-3-carboxylic (3S)-1-[[(1R)-1-cyclopropylethyl…

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)	2.01	6.96	-53.62	1	5	-1	72	253.322	3	↓ MOL2 SDF SMILES Flexibase

62873849

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[[(1S)-1-cyclopropylethyl]carbamoyl]-3-ethyl-piperidine-3-carboxylic (3S)-1-[[(1S)-1-cyclopropylethyl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.34	7.32	-51.32	1	5	-1	72	267.349	4	↓ MOL2 SDF SMILES Flexibase

62873850

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[[(1S)-1-cyclopropylethyl]carbamoyl]-3-ethyl-piperidine-3-carboxylic (3R)-1-[[(1S)-1-cyclopropylethyl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.34	7.35	-51.23	1	5	-1	72	267.349	4	↓ MOL2 SDF SMILES Flexibase

62873851

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[[(1R)-1-cyclopropylethyl]carbamoyl]-3-ethyl-piperidine-3-carboxylic (3S)-1-[[(1R)-1-cyclopropylethyl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.34	7.41	-51.63	1	5	-1	72	267.349	4	↓ MOL2 SDF SMILES Flexibase

62873852

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[[(1R)-1-cyclopropylethyl]carbamoyl]-3-ethyl-piperidine-3-carboxylic (3R)-1-[[(1R)-1-cyclopropylethyl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.34	7.44	-51.47	1	5	-1	72	267.349	4	↓ MOL2 SDF SMILES Flexibase

62873853

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[[(1S)-1-cyclopropylethyl]carbamoyl]-3-propyl-piperidine-3-carboxylic (3S)-1-[[(1S)-1-cyclopropylethyl…

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)	2.90	8.09	-51.9	1	5	-1	72	281.376	5	↓ MOL2 SDF SMILES Flexibase

62873854

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[[(1S)-1-cyclopropylethyl]carbamoyl]-3-propyl-piperidine-3-carboxylic (3R)-1-[[(1S)-1-cyclopropylethyl…

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)	2.90	8.1	-51.64	1	5	-1	72	281.376	5	↓ MOL2 SDF SMILES Flexibase

62873855

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[[(1R)-1-cyclopropylethyl]carbamoyl]-3-propyl-piperidine-3-carboxylic (3S)-1-[[(1R)-1-cyclopropylethyl…

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)	2.90	8.18	-52.09	1	5	-1	72	281.376	5	↓ MOL2 SDF SMILES Flexibase

62873856

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[[(1R)-1-cyclopropylethyl]carbamoyl]-3-propyl-piperidine-3-carboxylic (3R)-1-[[(1R)-1-cyclopropylethyl…

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)	2.90	8.19	-51.91	1	5	-1	72	281.376	5	↓ MOL2 SDF SMILES Flexibase

62874006

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[[(1S)-1-cyclopropylethyl]-methyl-carbamoyl]-3-methyl-piperidine-3-carboxylic (3R)-1-[[(1S)-1-cyclopropylethyl…

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	8.14	-43.19	0	5	-1	64	267.349	3	↓ MOL2 SDF SMILES Flexibase

62874007

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[[(1R)-1-cyclopropylethyl]-methyl-carbamoyl]-3-methyl-piperidine-3-carboxylic (3R)-1-[[(1R)-1-cyclopropylethyl…

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	8.18	-43.55	0	5	-1	64	267.349	3	↓ MOL2 SDF SMILES Flexibase

62874008

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[[(1S)-1-cyclopropylethyl]-methyl-carbamoyl]-3-methyl-piperidine-3-carboxylic (3S)-1-[[(1S)-1-cyclopropylethyl…

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	8.16	-54.96	0	5	-1	64	267.349	3	↓ MOL2 SDF SMILES Flexibase

62874009

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[[(1R)-1-cyclopropylethyl]-methyl-carbamoyl]-3-methyl-piperidine-3-carboxylic (3S)-1-[[(1R)-1-cyclopropylethyl…

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	8.19	-55.1	0	5	-1	64	267.349	3	↓ MOL2 SDF SMILES Flexibase

62874010

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[[(1S)-1-cyclopropylethyl]-methyl-carbamoyl]-3-ethyl-piperidine-3-carboxylic (3S)-1-[[(1S)-1-cyclopropylethyl…

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	8.4	-42.88	0	5	-1	64	281.376	4	↓ MOL2 SDF SMILES Flexibase

62874011

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[[(1S)-1-cyclopropylethyl]-methyl-carbamoyl]-3-ethyl-piperidine-3-carboxylic (3R)-1-[[(1S)-1-cyclopropylethyl…

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	8.59	-52.33	0	5	-1	64	281.376	4	↓ MOL2 SDF SMILES Flexibase

62874012

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[[(1R)-1-cyclopropylethyl]-methyl-carbamoyl]-3-ethyl-piperidine-3-carboxylic (3S)-1-[[(1R)-1-cyclopropylethyl…

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	8.53	-42.47	0	5	-1	64	281.376	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 16931
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 = 16931 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=16931&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": "16931"        

    });
</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