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

49377982

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-N-methyl-2-(2-oxo-3-phenyl-imidazolidin-1-yl)acetamide N-benzyl-N-methyl-2-(2-oxo-3-phe…

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)	2.55	10.36	-20.94	0	5	0	44	323.396	5	↓ MOL2 SDF SMILES Flexibase

49377984

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-N-(2-hydroxyethyl)-2-(2-oxo-3-phenyl-imidazolidin-1-yl)acetamide N-benzyl-N-(2-hydroxyethyl)-2-(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)	1.91	8.29	-21.87	1	6	0	64	353.422	7	↓ MOL2 SDF SMILES Flexibase

49378161

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-2-(2-oxo-3-phenyl-imidazolidin-1-yl)acetamide N-benzyl-2-(2-oxo-3-phenyl-imida…

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)	2.80	8.29	-18.44	1	5	0	53	309.369	5	↓ MOL2 SDF SMILES Flexibase

49378164

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-chlorophenyl)methyl]-2-(2-oxo-3-phenyl-imidazolidin-1-yl)acetamide N-[(2-chlorophenyl)methyl]-2-(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)	3.43	8.71	-17.97	1	5	0	53	343.814	5	↓ MOL2 SDF SMILES Flexibase

49378166

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-fluorophenyl)methyl]-2-(2-oxo-3-phenyl-imidazolidin-1-yl)acetamide N-[(4-fluorophenyl)methyl]-2-(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)	2.97	8.36	-18.73	1	5	0	53	327.359	5	↓ MOL2 SDF SMILES Flexibase

49378168

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-methoxyphenyl)methyl]-2-(2-oxo-3-phenyl-imidazolidin-1-yl)acetamide N-[(4-methoxyphenyl)methyl]-2-(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)	2.86	7.59	-19.43	1	6	0	62	339.395	6	↓ MOL2 SDF SMILES Flexibase

49378171

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-methoxyphenyl)methyl]-2-(2-oxo-3-phenyl-imidazolidin-1-yl)acetamide N-[(2-methoxyphenyl)methyl]-2-(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)	2.81	7.63	-20.49	1	6	0	62	339.395	6	↓ MOL2 SDF SMILES Flexibase

49378173

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-oxo-3-phenyl-imidazolidin-1-yl)-N-(p-tolylmethyl)acetamide 2-(2-oxo-3-phenyl-imidazolidin-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)	3.25	8.97	-18.37	1	5	0	53	323.396	5	↓ MOL2 SDF SMILES Flexibase

49378179

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-oxo-3-phenyl-imidazolidin-1-yl)-N-[(1S)-1-phenylethyl]acetamide 2-(2-oxo-3-phenyl-imidazolidin-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)	3.36	9.13	-19.38	1	5	0	53	323.396	5	↓ MOL2 SDF SMILES Flexibase

49378183

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-oxo-3-phenyl-imidazolidin-1-yl)-N-[(1R)-1-phenylethyl]acetamide 2-(2-oxo-3-phenyl-imidazolidin-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)	3.36	9.13	-18.6	1	5	0	53	323.396	5	↓ MOL2 SDF SMILES Flexibase

49378187

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-chlorophenyl)methyl]-2-(2-oxo-3-phenyl-imidazolidin-1-yl)acetamide N-[(4-chlorophenyl)methyl]-2-(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)	3.48	8.81	-18.17	1	5	0	53	343.814	5	↓ MOL2 SDF SMILES Flexibase

49378541

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3-methoxyphenyl)methyl]-2-(2-oxo-3-phenyl-imidazolidin-1-yl)acetamide N-[(3-methoxyphenyl)methyl]-2-(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)	2.84	7.59	-19.28	1	6	0	62	339.395	6	↓ MOL2 SDF SMILES Flexibase

49378549

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2,6-difluorophenyl)methyl]-2-(2-oxo-3-phenyl-imidazolidin-1-yl)acetamide N-[(2,6-difluorophenyl)methyl]-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)	3.03	8.33	-20.78	1	5	0	53	345.349	5	↓ MOL2 SDF SMILES Flexibase

49378729

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2,4-difluorophenyl)methyl]-2-(2-oxo-3-phenyl-imidazolidin-1-yl)acetamide N-[(2,4-difluorophenyl)methyl]-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	8.38	-18.03	1	5	0	53	345.349	5	↓ MOL2 SDF SMILES Flexibase

49378741

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-fluorophenyl)methyl]-2-(2-oxo-3-phenyl-imidazolidin-1-yl)acetamide N-[(2-fluorophenyl)methyl]-2-(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)	2.92	8.31	-18.71	1	5	0	53	327.359	5	↓ MOL2 SDF SMILES Flexibase

49378938

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-N-methyl-2-[2-oxo-3-(p-tolyl)imidazolidin-1-yl]acetamide N-benzyl-N-methyl-2-[2-oxo-3-(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)	3.00	11.04	-20.83	0	5	0	44	337.423	5	↓ MOL2 SDF SMILES Flexibase

49378943

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-N-(2-hydroxyethyl)-2-[2-oxo-3-(p-tolyl)imidazolidin-1-yl]acetamide N-benzyl-N-(2-hydroxyethyl)-2-[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)	2.36	8.74	-21.6	1	6	0	64	367.449	7	↓ MOL2 SDF SMILES Flexibase

49379210

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-2-[2-oxo-3-(p-tolyl)imidazolidin-1-yl]acetamide N-benzyl-2-[2-oxo-3-(p-tolyl)imi…

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)	3.25	8.97	-18.3	1	5	0	53	323.396	5	↓ MOL2 SDF SMILES Flexibase

49379213

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-chlorophenyl)methyl]-2-[2-oxo-3-(p-tolyl)imidazolidin-1-yl]acetamide N-[(2-chlorophenyl)methyl]-2-[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)	3.88	9.38	-18	1	5	0	53	357.841	5	↓ MOL2 SDF SMILES Flexibase

49379216

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-fluorophenyl)methyl]-2-[2-oxo-3-(p-tolyl)imidazolidin-1-yl]acetamide N-[(4-fluorophenyl)methyl]-2-[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)	3.42	9.04	-18.74	1	5	0	53	341.386	5	↓ MOL2 SDF SMILES Flexibase

49379219

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-methoxyphenyl)methyl]-2-[2-oxo-3-(p-tolyl)imidazolidin-1-yl]acetamide N-[(4-methoxyphenyl)methyl]-2-[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)	3.31	8.27	-19.61	1	6	0	62	353.422	6	↓ MOL2 SDF SMILES Flexibase

49379222

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-methoxyphenyl)methyl]-2-[2-oxo-3-(p-tolyl)imidazolidin-1-yl]acetamide N-[(2-methoxyphenyl)methyl]-2-[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)	3.26	8.31	-19.43	1	6	0	62	353.422	6	↓ MOL2 SDF SMILES Flexibase

49379225

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-oxo-3-(p-tolyl)imidazolidin-1-yl]-N-(p-tolylmethyl)acetamide 2-[2-oxo-3-(p-tolyl)imidazolidin…

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)	3.70	9.64	-18.42	1	5	0	53	337.423	5	↓ MOL2 SDF SMILES Flexibase

49379232

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-oxo-3-(p-tolyl)imidazolidin-1-yl]-N-[(1S)-1-phenylethyl]acetamide 2-[2-oxo-3-(p-tolyl)imidazolidin…

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)	3.81	9.81	-18.41	1	5	0	53	337.423	5	↓ MOL2 SDF SMILES Flexibase

49379235

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-oxo-3-(p-tolyl)imidazolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide 2-[2-oxo-3-(p-tolyl)imidazolidin…

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)	3.81	9.81	-19.19	1	5	0	53	337.423	5	↓ MOL2 SDF SMILES Flexibase

49379241

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-chlorophenyl)methyl]-2-[2-oxo-3-(p-tolyl)imidazolidin-1-yl]acetamide N-[(4-chlorophenyl)methyl]-2-[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)	3.93	9.49	-18.2	1	5	0	53	357.841	5	↓ MOL2 SDF SMILES Flexibase

49379602

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3-methoxyphenyl)methyl]-2-[2-oxo-3-(p-tolyl)imidazolidin-1-yl]acetamide N-[(3-methoxyphenyl)methyl]-2-[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)	3.28	8.27	-19.13	1	6	0	62	353.422	6	↓ MOL2 SDF SMILES Flexibase

49379608

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2,6-difluorophenyl)methyl]-2-[2-oxo-3-(p-tolyl)imidazolidin-1-yl]acetamide N-[(2,6-difluorophenyl)methyl]-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)	3.48	9.01	-20.81	1	5	0	53	359.376	5	↓ MOL2 SDF SMILES Flexibase

49379689

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-oxo-3-(p-tolyl)imidazolidin-1-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide 2-[2-oxo-3-(p-tolyl)imidazolidin…

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)	1.95	3.93	-26.22	3	8	0	113	402.476	6	↓ MOL2 SDF SMILES Flexibase

49379796

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2,4-difluorophenyl)methyl]-2-[2-oxo-3-(p-tolyl)imidazolidin-1-yl]acetamide N-[(2,4-difluorophenyl)methyl]-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)	3.51	9.06	-18.08	1	5	0	53	359.376	5	↓ MOL2 SDF SMILES Flexibase

49379807

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-fluorophenyl)methyl]-2-[2-oxo-3-(p-tolyl)imidazolidin-1-yl]acetamide N-[(2-fluorophenyl)methyl]-2-[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)	3.37	8.99	-18.72	1	5	0	53	341.386	5	↓ MOL2 SDF SMILES Flexibase

49380005

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-2-[3-(4-fluorophenyl)-2-oxo-imidazolidin-1-yl]-N-methyl-acetamide N-benzyl-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)	2.71	10.43	-20.27	0	5	0	44	341.386	5	↓ MOL2 SDF SMILES Flexibase

49380291

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-2-[3-(4-fluorophenyl)-2-oxo-imidazolidin-1-yl]acetamide N-benzyl-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)	2.97	8.36	-17.89	1	5	0	53	327.359	5	↓ MOL2 SDF SMILES Flexibase

49380294

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-chlorophenyl)methyl]-2-[3-(4-fluorophenyl)-2-oxo-imidazolidin-1-yl]acetamide N-[(2-chlorophenyl)methyl]-2-[3-…

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)	3.60	8.77	-19.2	1	5	0	53	361.804	5	↓ MOL2 SDF SMILES Flexibase

49380297

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-fluorophenyl)methyl]-2-[3-(4-fluorophenyl)-2-oxo-imidazolidin-1-yl]acetamide N-[(4-fluorophenyl)methyl]-2-[3-…

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)	3.13	8.43	-18.38	1	5	0	53	345.349	5	↓ MOL2 SDF SMILES Flexibase

49380301

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-(4-fluorophenyl)-2-oxo-imidazolidin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide 2-[3-(4-fluorophenyl)-2-oxo-imid…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.02	7.66	-18.87	1	6	0	62	357.385	6	↓ MOL2 SDF SMILES Flexibase

49380304

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-(4-fluorophenyl)-2-oxo-imidazolidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide 2-[3-(4-fluorophenyl)-2-oxo-imid…

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)	2.98	7.7	-19.89	1	6	0	62	357.385	6	↓ MOL2 SDF SMILES Flexibase

49380307

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-(4-fluorophenyl)-2-oxo-imidazolidin-1-yl]-N-(p-tolylmethyl)acetamide 2-[3-(4-fluorophenyl)-2-oxo-imid…

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)	3.42	9.04	-17.86	1	5	0	53	341.386	5	↓ MOL2 SDF SMILES Flexibase

49380314

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-(4-fluorophenyl)-2-oxo-imidazolidin-1-yl]-N-[(1S)-1-phenylethyl]acetamide 2-[3-(4-fluorophenyl)-2-oxo-imid…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.53	9.2	-18.79	1	5	0	53	341.386	5	↓ MOL2 SDF SMILES Flexibase

49380317

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-(4-fluorophenyl)-2-oxo-imidazolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide 2-[3-(4-fluorophenyl)-2-oxo-imid…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.53	9.2	-18	1	5	0	53	341.386	5	↓ MOL2 SDF SMILES Flexibase

49380324

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-chlorophenyl)methyl]-2-[3-(4-fluorophenyl)-2-oxo-imidazolidin-1-yl]acetamide N-[(4-chlorophenyl)methyl]-2-[3-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.64	8.88	-17.86	1	5	0	53	361.804	5	↓ MOL2 SDF SMILES Flexibase

49380651

Analogs

4219720

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-(4-fluorophenyl)-2-oxo-imidazolidin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide 2-[3-(4-fluorophenyl)-2-oxo-imid…

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)	3.00	7.66	-18.74	1	6	0	62	357.385	6	↓ MOL2 SDF SMILES Flexibase

49380655

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2,6-difluorophenyl)methyl]-2-[3-(4-fluorophenyl)-2-oxo-imidazolidin-1-yl]acetamide N-[(2,6-difluorophenyl)methyl]-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)	3.20	8.4	-20.25	1	5	0	53	363.339	5	↓ MOL2 SDF SMILES Flexibase

49380708

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-(4-fluorophenyl)-2-oxo-imidazolidin-1-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide 2-[3-(4-fluorophenyl)-2-oxo-imid…

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)	1.66	3.33	-25.11	3	8	0	113	406.439	6	↓ MOL2 SDF SMILES Flexibase

49380778

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2,4-difluorophenyl)methyl]-2-[3-(4-fluorophenyl)-2-oxo-imidazolidin-1-yl]acetamide N-[(2,4-difluorophenyl)methyl]-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)	3.22	8.45	-17.6	1	5	0	53	363.339	5	↓ MOL2 SDF SMILES Flexibase

49380784

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-fluorophenyl)methyl]-2-[3-(4-fluorophenyl)-2-oxo-imidazolidin-1-yl]acetamide N-[(2-fluorophenyl)methyl]-2-[3-…

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)	3.08	8.38	-20.32	1	5	0	53	345.349	5	↓ MOL2 SDF SMILES Flexibase

49380913

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-2-[3-(2-fluorophenyl)-2-oxo-imidazolidin-1-yl]-N-methyl-acetamide N-benzyl-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)	2.66	10.71	-21.24	0	5	0	44	341.386	5	↓ MOL2 SDF SMILES Flexibase

49380915

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-2-[3-(2-fluorophenyl)-2-oxo-imidazolidin-1-yl]-N-(2-hydroxyethyl)acetamide N-benzyl-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)	2.03	8.64	-22.37	1	6	0	64	371.412	7	↓ MOL2 SDF SMILES Flexibase

49381106

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-2-[3-(2-fluorophenyl)-2-oxo-imidazolidin-1-yl]acetamide N-benzyl-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)	2.92	8.64	-18.9	1	5	0	53	327.359	5	↓ MOL2 SDF SMILES Flexibase

49381107

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-fluorophenyl)methyl]-2-[3-(2-fluorophenyl)-2-oxo-imidazolidin-1-yl]acetamide N-[(4-fluorophenyl)methyl]-2-[3-…

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)	3.08	8.71	-19.45	1	5	0	53	345.349	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 558284
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 = 558284 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=558284&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": "558284"        

    });
</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