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

49377992

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-oxo-2-pyrrolidin-1-yl-ethyl)-3-phenyl-imidazolidin-2-one 1-(2-oxo-2-pyrrolidin-1-yl-ethyl…

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	7.67	-19.44	0	5	0	44	273.336	3	↓ MOL2 SDF SMILES Flexibase

49378774

Analogs

33756082
33756083

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-methyl-1-[2-(2-oxo-3-phenyl-imidazolidin-1-yl)acetyl]pyrrolidine-2-carboxamide (2S)-N-methyl-1-[2-(2-oxo-3-phen…

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)	0.64	6.85	-31.68	1	7	0	73	330.388	4	↓ MOL2 SDF SMILES Flexibase

49378777

Analogs

33756082
33756083

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-methyl-1-[2-(2-oxo-3-phenyl-imidazolidin-1-yl)acetyl]pyrrolidine-2-carboxamide (2R)-N-methyl-1-[2-(2-oxo-3-phen…

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)	0.64	7.13	-25.53	1	7	0	73	330.388	4	↓ MOL2 SDF SMILES Flexibase

49378958

Analogs

34527231

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-oxo-2-pyrrolidin-1-yl-ethyl)-3-(p-tolyl)imidazolidin-2-one 1-(2-oxo-2-pyrrolidin-1-yl-ethyl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.00	8.35	-19.43	0	5	0	44	287.363	3	↓ MOL2 SDF SMILES Flexibase

49379839

Analogs

4792966

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-methyl-1-[2-[2-oxo-3-(p-tolyl)imidazolidin-1-yl]acetyl]pyrrolidine-2-carboxamide (2R)-N-methyl-1-[2-[2-oxo-3-(p-t…

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)	1.09	7.51	-31.48	1	7	0	73	344.415	4	↓ MOL2 SDF SMILES Flexibase

49379843

Analogs

4792966

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-methyl-1-[2-[2-oxo-3-(p-tolyl)imidazolidin-1-yl]acetyl]pyrrolidine-2-carboxamide (2S)-N-methyl-1-[2-[2-oxo-3-(p-t…

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)	1.09	7.8	-25.3	1	7	0	73	344.415	4	↓ MOL2 SDF SMILES Flexibase

49380022

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-fluorophenyl)-3-(2-oxo-2-pyrrolidin-1-yl-ethyl)imidazolidin-2-one 1-(4-fluorophenyl)-3-(2-oxo-2-py…

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)	1.71	7.74	-18.8	0	5	0	44	291.326	3	↓ MOL2 SDF SMILES Flexibase

49380803

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[2-[3-(4-fluorophenyl)-2-oxo-imidazolidin-1-yl]acetyl]-N-methyl-pyrrolidine-2-carboxamide (2S)-1-[2-[3-(4-fluorophenyl)-2-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.81	6.92	-30.65	1	7	0	73	348.378	4	↓ MOL2 SDF SMILES Flexibase

49380805

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[2-[3-(4-fluorophenyl)-2-oxo-imidazolidin-1-yl]acetyl]-N-methyl-pyrrolidine-2-carboxamide (2R)-1-[2-[3-(4-fluorophenyl)-2-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.81	7.2	-24.66	1	7	0	73	348.378	4	↓ MOL2 SDF SMILES Flexibase

49380925

Analogs

36884831

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-fluorophenyl)-3-(2-oxo-2-pyrrolidin-1-yl-ethyl)imidazolidin-2-one 1-(2-fluorophenyl)-3-(2-oxo-2-py…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.67	8.02	-20.06	0	5	0	44	291.326	3	↓ MOL2 SDF SMILES Flexibase

49381499

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[2-[3-(2-fluorophenyl)-2-oxo-imidazolidin-1-yl]acetyl]-N-methyl-pyrrolidine-2-carboxamide (2S)-1-[2-[3-(2-fluorophenyl)-2-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.76	7.19	-31.72	1	7	0	73	348.378	4	↓ MOL2 SDF SMILES Flexibase

49381501

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[2-[3-(2-fluorophenyl)-2-oxo-imidazolidin-1-yl]acetyl]-N-methyl-pyrrolidine-2-carboxamide (2R)-1-[2-[3-(2-fluorophenyl)-2-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.76	7.48	-26.29	1	7	0	73	348.378	4	↓ MOL2 SDF SMILES Flexibase

49381621

Analogs

4924945
5073771

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-chlorophenyl)-3-(2-oxo-2-pyrrolidin-1-yl-ethyl)imidazolidin-2-one 1-(3-chlorophenyl)-3-(2-oxo-2-py…

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)	2.20	8.19	-17.18	0	5	0	44	307.781	3	↓ MOL2 SDF SMILES Flexibase

49382166

Analogs

4924945
6471381
4459989

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[2-[3-(3-chlorophenyl)-2-oxo-imidazolidin-1-yl]acetyl]-N-methyl-pyrrolidine-2-carboxamide (2S)-1-[2-[3-(3-chlorophenyl)-2-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.30	7.38	-28.6	1	7	0	73	364.833	4	↓ MOL2 SDF SMILES Flexibase

49382168

Analogs

4924945
6471381
4459989

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[2-[3-(3-chlorophenyl)-2-oxo-imidazolidin-1-yl]acetyl]-N-methyl-pyrrolidine-2-carboxamide (2R)-1-[2-[3-(3-chlorophenyl)-2-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.30	7.65	-23.28	1	7	0	73	364.833	4	↓ MOL2 SDF SMILES Flexibase

49382279

Analogs

4928430
4977319
4219691

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-chlorophenyl)-3-(2-oxo-2-pyrrolidin-1-yl-ethyl)imidazolidin-2-one 1-(4-chlorophenyl)-3-(2-oxo-2-py…

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)	2.23	8.19	-18.34	0	5	0	44	307.781	3	↓ MOL2 SDF SMILES Flexibase

49382849

Analogs

4918283
5096303
4219718

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[2-[3-(4-chlorophenyl)-2-oxo-imidazolidin-1-yl]acetyl]-N-methyl-pyrrolidine-2-carboxamide (2S)-1-[2-[3-(4-chlorophenyl)-2-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.32	7.36	-30.18	1	7	0	73	364.833	4	↓ MOL2 SDF SMILES Flexibase

49382851

Analogs

4918283
5096303
4219718

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[2-[3-(4-chlorophenyl)-2-oxo-imidazolidin-1-yl]acetyl]-N-methyl-pyrrolidine-2-carboxamide (2R)-1-[2-[3-(4-chlorophenyl)-2-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.32	7.65	-24.23	1	7	0	73	364.833	4	↓ MOL2 SDF SMILES Flexibase

49382960

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,4-difluorophenyl)-3-(2-oxo-2-pyrrolidin-1-yl-ethyl)imidazolidin-2-one 1-(3,4-difluorophenyl)-3-(2-oxo-…

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)	1.81	7.79	-17.32	0	5	0	44	309.316	3	↓ MOL2 SDF SMILES Flexibase

49383577

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[2-[3-(3,4-difluorophenyl)-2-oxo-imidazolidin-1-yl]acetyl]-N-methyl-pyrrolidine-2-carboxamide (2S)-1-[2-[3-(3,4-difluorophenyl…

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	6.96	-28.19	1	7	0	73	366.368	4	↓ MOL2 SDF SMILES Flexibase

49383580

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[2-[3-(3,4-difluorophenyl)-2-oxo-imidazolidin-1-yl]acetyl]-N-methyl-pyrrolidine-2-carboxamide (2R)-1-[2-[3-(3,4-difluorophenyl…

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	7.25	-23.09	1	7	0	73	366.368	4	↓ MOL2 SDF SMILES Flexibase

49383762

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-methoxyphenyl)-3-(2-oxo-2-pyrrolidin-1-yl-ethyl)imidazolidin-2-one 1-(4-methoxyphenyl)-3-(2-oxo-2-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)	1.61	6.96	-19.76	0	6	0	53	303.362	4	↓ MOL2 SDF SMILES Flexibase

49384640

Analogs

4929103
4219731
4345423

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[2-[3-(4-methoxyphenyl)-2-oxo-imidazolidin-1-yl]acetyl]-N-methyl-pyrrolidine-2-carboxamide (2S)-1-[2-[3-(4-methoxyphenyl)-2…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.70	6.13	-32.77	1	8	0	82	360.414	5	↓ MOL2 SDF SMILES Flexibase

49384643

Analogs

4929103
4219731
4345423

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[2-[3-(4-methoxyphenyl)-2-oxo-imidazolidin-1-yl]acetyl]-N-methyl-pyrrolidine-2-carboxamide (2R)-1-[2-[3-(4-methoxyphenyl)-2…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.70	6.43	-26.51	1	8	0	82	360.414	5	↓ MOL2 SDF SMILES Flexibase

49384817

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-methoxyphenyl)-3-(2-oxo-2-pyrrolidin-1-yl-ethyl)imidazolidin-2-one 1-(2-methoxyphenyl)-3-(2-oxo-2-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)	1.56	7.31	-21	0	6	0	53	303.362	4	↓ MOL2 SDF SMILES Flexibase

49385658

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[2-[3-(2-methoxyphenyl)-2-oxo-imidazolidin-1-yl]acetyl]-N-methyl-pyrrolidine-2-carboxamide (2S)-1-[2-[3-(2-methoxyphenyl)-2…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.65	6.49	-32.85	1	8	0	82	360.414	5	↓ MOL2 SDF SMILES Flexibase

49385661

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[2-[3-(2-methoxyphenyl)-2-oxo-imidazolidin-1-yl]acetyl]-N-methyl-pyrrolidine-2-carboxamide (2R)-1-[2-[3-(2-methoxyphenyl)-2…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.65	6.78	-27.3	1	8	0	82	360.414	5	↓ MOL2 SDF SMILES Flexibase

49385842

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-ethoxyphenyl)-3-(2-oxo-2-pyrrolidin-1-yl-ethyl)imidazolidin-2-one 1-(4-ethoxyphenyl)-3-(2-oxo-2-py…

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	7.89	-19.58	0	6	0	53	317.389	5	↓ MOL2 SDF SMILES Flexibase

49386717

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[2-[3-(4-ethoxyphenyl)-2-oxo-imidazolidin-1-yl]acetyl]-N-methyl-pyrrolidine-2-carboxamide (2R)-1-[2-[3-(4-ethoxyphenyl)-2-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.08	7.05	-31.29	1	8	0	82	374.441	6	↓ MOL2 SDF SMILES Flexibase

49386720

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[2-[3-(4-ethoxyphenyl)-2-oxo-imidazolidin-1-yl]acetyl]-N-methyl-pyrrolidine-2-carboxamide (2S)-1-[2-[3-(4-ethoxyphenyl)-2-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.08	7.33	-25.43	1	8	0	82	374.441	6	↓ MOL2 SDF SMILES Flexibase

49386897

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,4-dimethoxyphenyl)-3-(2-oxo-2-pyrrolidin-1-yl-ethyl)imidazolidin-2-one 1-(3,4-dimethoxyphenyl)-3-(2-oxo…

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)	1.20	6.87	-21.43	0	7	0	62	333.388	5	↓ MOL2 SDF SMILES Flexibase

49387885

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[2-[3-(3,4-dimethoxyphenyl)-2-oxo-imidazolidin-1-yl]acetyl]-N-methyl-pyrrolidine-2-carboxamid (2S)-1-[2-[3-(3,4-dimethoxypheny…

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)	0.29	6.04	-33.13	1	9	0	91	390.44	6	↓ MOL2 SDF SMILES Flexibase

49387891

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[2-[3-(3,4-dimethoxyphenyl)-2-oxo-imidazolidin-1-yl]acetyl]-N-methyl-pyrrolidine-2-carboxamid (2R)-1-[2-[3-(3,4-dimethoxypheny…

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)	0.29	6.33	-27.29	1	9	0	91	390.44	6	↓ MOL2 SDF SMILES Flexibase

49391237

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,5-dimethoxyphenyl)-3-(2-oxo-2-pyrrolidin-1-yl-ethyl)imidazolidin-2-one 1-(2,5-dimethoxyphenyl)-3-(2-oxo…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.59	6.61	-22.99	0	7	0	62	333.388	5	↓ MOL2 SDF SMILES Flexibase

49403295

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[2-[3-(2,5-dimethoxyphenyl)-2-oxo-imidazolidin-1-yl]acetyl]-N-methyl-pyrrolidine-2-carboxamid (2S)-1-[2-[3-(2,5-dimethoxypheny…

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)	0.69	5.79	-35.19	1	9	0	91	390.44	6	↓ MOL2 SDF SMILES Flexibase

49403299

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[2-[3-(2,5-dimethoxyphenyl)-2-oxo-imidazolidin-1-yl]acetyl]-N-methyl-pyrrolidine-2-carboxamid (2R)-1-[2-[3-(2,5-dimethoxypheny…

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)	0.69	6.08	-29.34	1	9	0	91	390.44	6	↓ MOL2 SDF SMILES Flexibase

49403469

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-isopropylphenyl)-3-(2-oxo-2-pyrrolidin-1-yl-ethyl)imidazolidin-2-one 1-(4-isopropylphenyl)-3-(2-oxo-2…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.06	9.59	-18.98	0	5	0	44	315.417	4	↓ MOL2 SDF SMILES Flexibase

49404271

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[2-[3-(4-isopropylphenyl)-2-oxo-imidazolidin-1-yl]acetyl]-N-methyl-pyrrolidine-2-carboxamide (2R)-1-[2-[3-(4-isopropylphenyl)…

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)	2.16	8.75	-31.07	1	7	0	73	372.469	5	↓ MOL2 SDF SMILES Flexibase

49404274

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[2-[3-(4-isopropylphenyl)-2-oxo-imidazolidin-1-yl]acetyl]-N-methyl-pyrrolidine-2-carboxamide (2S)-1-[2-[3-(4-isopropylphenyl)…

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)	2.16	9.03	-24.93	1	7	0	73	372.469	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 558291
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 = 558291 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=558291&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": "558291"        

    });
</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