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

62922709

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(cyclopropylmethylcarbamoyl)-3-methyl-pyrrolidine-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)	1.41	5.05	-51.17	1	5	-1	72	225.268	3	↓ MOL2 SDF SMILES Flexibase

62922711

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(cyclopropylmethylcarbamoyl)-3-methyl-pyrrolidine-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)	1.41	5.17	-55.14	1	5	-1	72	225.268	3	↓ MOL2 SDF SMILES Flexibase

62922713

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(cyclopropylmethylcarbamoyl)-3-ethyl-pyrrolidine-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)	1.74	5.63	-46.32	1	5	-1	72	239.295	4	↓ MOL2 SDF SMILES Flexibase

62922715

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(cyclopropylmethylcarbamoyl)-3-ethyl-pyrrolidine-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)	1.74	5.66	-54.57	1	5	-1	72	239.295	4	↓ MOL2 SDF SMILES Flexibase

62922717

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(cyclopropylmethylcarbamoyl)-3-propyl-pyrrolidine-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)	2.30	6.37	-46.73	1	5	-1	72	253.322	5	↓ MOL2 SDF SMILES Flexibase

62922720

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(cyclopropylmethylcarbamoyl)-3-propyl-pyrrolidine-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)	2.30	6.43	-55.08	1	5	-1	72	253.322	5	↓ MOL2 SDF SMILES Flexibase

62925155

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[[(1S)-1-cyclopropylethyl]carbamoyl]-3-methyl-pyrrolidine-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)	1.74	5.65	-51.86	1	5	-1	72	239.295	3	↓ MOL2 SDF SMILES Flexibase

62925156

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[[(1R)-1-cyclopropylethyl]carbamoyl]-3-methyl-pyrrolidine-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)	1.74	5.76	-52.17	1	5	-1	72	239.295	3	↓ MOL2 SDF SMILES Flexibase

62925157

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[[(1S)-1-cyclopropylethyl]carbamoyl]-3-methyl-pyrrolidine-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)	1.74	5.74	-54.81	1	5	-1	72	239.295	3	↓ MOL2 SDF SMILES Flexibase

62925158

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[[(1R)-1-cyclopropylethyl]carbamoyl]-3-methyl-pyrrolidine-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)	1.74	5.85	-55.06	1	5	-1	72	239.295	3	↓ MOL2 SDF SMILES Flexibase

62925159

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[[(1S)-1-cyclopropylethyl]carbamoyl]-3-ethyl-pyrrolidine-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)	2.07	6.22	-46.64	1	5	-1	72	253.322	4	↓ MOL2 SDF SMILES Flexibase

62925160

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[[(1S)-1-cyclopropylethyl]carbamoyl]-3-ethyl-pyrrolidine-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)	2.07	6.25	-54.89	1	5	-1	72	253.322	4	↓ MOL2 SDF SMILES Flexibase

62925161

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[[(1R)-1-cyclopropylethyl]carbamoyl]-3-ethyl-pyrrolidine-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)	2.07	6.33	-46.79	1	5	-1	72	253.322	4	↓ MOL2 SDF SMILES Flexibase

62925162

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[[(1R)-1-cyclopropylethyl]carbamoyl]-3-ethyl-pyrrolidine-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)	2.07	6.36	-55.27	1	5	-1	72	253.322	4	↓ MOL2 SDF SMILES Flexibase

62925165

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[[(1S)-1-cyclopropylethyl]carbamoyl]-3-propyl-pyrrolidine-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)	2.63	6.98	-47.05	1	5	-1	72	267.349	5	↓ MOL2 SDF SMILES Flexibase

62925166

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[[(1S)-1-cyclopropylethyl]carbamoyl]-3-propyl-pyrrolidine-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)	2.63	7.02	-55.31	1	5	-1	72	267.349	5	↓ MOL2 SDF SMILES Flexibase

62925167

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[[(1R)-1-cyclopropylethyl]carbamoyl]-3-propyl-pyrrolidine-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)	2.63	7.09	-47.24	1	5	-1	72	267.349	5	↓ MOL2 SDF SMILES Flexibase

62925168

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[[(1R)-1-cyclopropylethyl]carbamoyl]-3-propyl-pyrrolidine-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)	2.63	7.13	-55.77	1	5	-1	72	267.349	5	↓ MOL2 SDF SMILES Flexibase

62925486

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[[(1S)-1-cyclopropylethyl]-methyl-carbamoyl]-3-methyl-pyrrolidine-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)	1.43	7.05	-74.58	0	5	0	64	253.322	3	↓ MOL2 SDF SMILES Flexibase

62925487

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[[(1R)-1-cyclopropylethyl]-methyl-carbamoyl]-3-methyl-pyrrolidine-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)	1.43	7.1	-53.94	0	5	-1	64	253.322	3	↓ MOL2 SDF SMILES Flexibase

62925488

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[[(1S)-1-cyclopropylethyl]-methyl-carbamoyl]-3-methyl-pyrrolidine-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)	1.43	7.14	-47.59	0	5	-1	64	253.322	3	↓ MOL2 SDF SMILES Flexibase

62925489

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[[(1R)-1-cyclopropylethyl]-methyl-carbamoyl]-3-methyl-pyrrolidine-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)	1.43	7.19	-48.31	0	5	-1	64	253.322	3	↓ MOL2 SDF SMILES Flexibase

62925490

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[[(1S)-1-cyclopropylethyl]-methyl-carbamoyl]-3-ethyl-pyrrolidine-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)	1.76	7.7	-44.28	0	5	-1	64	267.349	4	↓ MOL2 SDF SMILES Flexibase

62925491

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[[(1S)-1-cyclopropylethyl]-methyl-carbamoyl]-3-ethyl-pyrrolidine-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)	1.76	7.61	-47.66	0	5	-1	64	267.349	4	↓ MOL2 SDF SMILES Flexibase

62925492

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[[(1R)-1-cyclopropylethyl]-methyl-carbamoyl]-3-ethyl-pyrrolidine-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)	1.76	7.77	-44.54	0	5	-1	64	267.349	4	↓ MOL2 SDF SMILES Flexibase

62925493

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[[(1R)-1-cyclopropylethyl]-methyl-carbamoyl]-3-ethyl-pyrrolidine-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)	1.76	7.68	-46.5	0	5	-1	64	267.349	4	↓ MOL2 SDF SMILES Flexibase

62925494

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[[(1S)-1-cyclopropylethyl]-methyl-carbamoyl]-3-propyl-pyrrolidine-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)	2.32	8.47	-44.58	0	5	-1	64	281.376	5	↓ MOL2 SDF SMILES Flexibase

62925495

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[[(1S)-1-cyclopropylethyl]-methyl-carbamoyl]-3-propyl-pyrrolidine-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)	2.32	8.37	-47.91	0	5	-1	64	281.376	5	↓ MOL2 SDF SMILES Flexibase

62925496

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[[(1R)-1-cyclopropylethyl]-methyl-carbamoyl]-3-propyl-pyrrolidine-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)	2.32	8.54	-44.84	0	5	-1	64	281.376	5	↓ MOL2 SDF SMILES Flexibase

62925497

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[[(1R)-1-cyclopropylethyl]-methyl-carbamoyl]-3-propyl-pyrrolidine-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)	2.32	8.44	-46.84	0	5	-1	64	281.376	5	↓ MOL2 SDF SMILES Flexibase

62925900

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[cyclopropylmethyl(methyl)carbamoyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[cyclopropylmethyl(methyl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.10	6.7	-53.82	0	5	-1	64	239.295	3	↓ MOL2 SDF SMILES Flexibase

62925901

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[cyclopropylmethyl(methyl)carbamoyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[cyclopropylmethyl(methyl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.10	6.8	-47	0	5	-1	64	239.295	3	↓ MOL2 SDF SMILES Flexibase

62925904

Analogs

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.44	7.38	-44.63	0	5	-1	64	253.322	4	↓ MOL2 SDF SMILES Flexibase

62925905

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[cyclopropylmethyl(methyl)carbamoyl]-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-[cyclopropylmethyl(methyl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.44	7.29	-46	0	5	-1	64	253.322	4	↓ MOL2 SDF SMILES Flexibase

62925906

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[cyclopropylmethyl(methyl)carbamoyl]-3-propyl-pyrrolidine-3-carboxylic (3S)-1-[cyclopropylmethyl(methyl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.99	8.13	-44.86	0	5	-1	64	267.349	5	↓ MOL2 SDF SMILES Flexibase

62925907

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[cyclopropylmethyl(methyl)carbamoyl]-3-propyl-pyrrolidine-3-carboxylic (3R)-1-[cyclopropylmethyl(methyl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.99	8.04	-46.31	0	5	-1	64	267.349	5	↓ MOL2 SDF SMILES Flexibase

62926369

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[cyclopropylmethyl(propyl)carbamoyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[cyclopropylmethyl(propyl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.98	8.28	-53.29	0	5	-1	64	267.349	5	↓ MOL2 SDF SMILES Flexibase

62926370

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[cyclopropylmethyl(propyl)carbamoyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[cyclopropylmethyl(propyl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.98	8.32	-47.56	0	5	-1	64	267.349	5	↓ MOL2 SDF SMILES Flexibase

62926371

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[cyclopropylmethyl(propyl)carbamoyl]-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-[cyclopropylmethyl(propyl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.31	8.83	-55.29	0	5	-1	64	281.376	6	↓ MOL2 SDF SMILES Flexibase

62926372

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[cyclopropylmethyl(propyl)carbamoyl]-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-[cyclopropylmethyl(propyl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.31	8.82	-50.76	0	5	-1	64	281.376	6	↓ MOL2 SDF SMILES Flexibase

62926373

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[cyclopropylmethyl(propyl)carbamoyl]-3-propyl-pyrrolidine-3-carboxylic (3S)-1-[cyclopropylmethyl(propyl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.87	9.44	-50.26	0	5	-1	64	295.403	7	↓ MOL2 SDF SMILES Flexibase

62926374

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[cyclopropylmethyl(propyl)carbamoyl]-3-propyl-pyrrolidine-3-carboxylic (3R)-1-[cyclopropylmethyl(propyl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.87	9.34	-55.35	0	5	-1	64	295.403	7	↓ MOL2 SDF SMILES Flexibase

62934243

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[cyclopropylmethyl(isopropyl)carbamoyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[cyclopropylmethyl(isopro…

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	7.97	-52.78	0	5	-1	64	267.349	4	↓ MOL2 SDF SMILES Flexibase

62934244

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[cyclopropylmethyl(isopropyl)carbamoyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[cyclopropylmethyl(isopro…

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	8.05	-58.68	0	5	-1	64	267.349	4	↓ MOL2 SDF SMILES Flexibase

62934247

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[cyclopropylmethyl(isopropyl)carbamoyl]-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-[cyclopropylmethyl(isopro…

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)	2.11	8.2	-46.21	0	5	-1	64	281.376	5	↓ MOL2 SDF SMILES Flexibase

62934248

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[cyclopropylmethyl(isopropyl)carbamoyl]-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-[cyclopropylmethyl(isopro…

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)	2.11	8.42	-45.53	0	5	-1	64	281.376	5	↓ MOL2 SDF SMILES Flexibase

62934251

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[cyclopropylmethyl(isopropyl)carbamoyl]-3-propyl-pyrrolidine-3-carboxylic (3S)-1-[cyclopropylmethyl(isopro…

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)	2.67	8.97	-46.62	0	5	-1	64	295.403	6	↓ MOL2 SDF SMILES Flexibase

62934252

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[cyclopropylmethyl(isopropyl)carbamoyl]-3-propyl-pyrrolidine-3-carboxylic (3R)-1-[cyclopropylmethyl(isopro…

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)	2.67	9.17	-45.89	0	5	-1	64	295.403	6	↓ MOL2 SDF SMILES Flexibase

62934323

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[[(1S)-1-cyclopropylethyl]-(2-methoxyethyl)carbamoyl]-3-methyl-pyrrolidine-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)	1.42	7.16	-56.77	0	6	-1	73	297.375	6	↓ MOL2 SDF SMILES Flexibase

62934324

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[[(1R)-1-cyclopropylethyl]-(2-methoxyethyl)carbamoyl]-3-methyl-pyrrolidine-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)	1.42	7.33	-57.63	0	6	-1	73	297.375	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 309238
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 = 309238 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=309238&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": "309238"        

    });
</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