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

5561512

Analogs

36756357
36756358
36756359
36756360
36756531

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3-chloro-4-fluoro-phenyl)-5-isobutyl-imidazolidine-2,4-dione 3-(3-chloro-4-fluoro-phenyl)-5-i…

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	0.04	-7.15	1	4	0	49	284.718	3	↓ MOL2 SDF SMILES Flexibase

36755945

Analogs

8507246
8507250

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4R)-4-(2-methylsulfonylethyl)-2,5-dioxo-imidazolidin-1-yl]benzonitrile 3-[(4R)-4-(2-methylsulfonylethyl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.26	2.01	-24.13	1	7	0	107	307.331	4	↓ MOL2 SDF SMILES Flexibase

36755946

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4S)-4-(2-methylsulfonylethyl)-2,5-dioxo-imidazolidin-1-yl]benzonitrile 3-[(4S)-4-(2-methylsulfonylethyl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.26	2.01	-24.02	1	7	0	107	307.331	4	↓ MOL2 SDF SMILES Flexibase

36755949

Analogs

20566572

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(4R)-4-(2-methylsulfonylethyl)-2,5-dioxo-imidazolidin-1-yl]benzonitrile 4-[(4R)-4-(2-methylsulfonylethyl…

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	2.02	-22.88	1	7	0	107	307.331	4	↓ MOL2 SDF SMILES Flexibase

36755950

Analogs

20566572

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(4S)-4-(2-methylsulfonylethyl)-2,5-dioxo-imidazolidin-1-yl]benzonitrile 4-[(4S)-4-(2-methylsulfonylethyl…

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	2.03	-22.92	1	7	0	107	307.331	4	↓ MOL2 SDF SMILES Flexibase

36755951

Analogs

3047979

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-3-(4-methoxyphenyl)-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione (5S)-3-(4-methoxyphenyl)-5-(2-me…

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)	0.59	0.9	-22.69	1	7	0	93	312.347	5	↓ MOL2 SDF SMILES Flexibase

36755952

Analogs

3047979

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-3-(4-methoxyphenyl)-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione (5R)-3-(4-methoxyphenyl)-5-(2-me…

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)	0.59	0.9	-22.71	1	7	0	93	312.347	5	↓ MOL2 SDF SMILES Flexibase

36755953

Analogs

3047979

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-(2-methylsulfonylethyl)-3-phenyl-imidazolidine-2,4-dione (5R)-5-(2-methylsulfonylethyl)-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)	0.53	1.63	-22.32	1	6	0	84	282.321	4	↓ MOL2 SDF SMILES Flexibase

36755954

Analogs

3047979

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-(2-methylsulfonylethyl)-3-phenyl-imidazolidine-2,4-dione (5S)-5-(2-methylsulfonylethyl)-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)	0.53	1.63	-22.37	1	6	0	84	282.321	4	↓ MOL2 SDF SMILES Flexibase

36755955

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-3-(3-chlorophenyl)-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione (5R)-3-(3-chlorophenyl)-5-(2-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)	1.19	2.14	-21.98	1	6	0	84	316.766	4	↓ MOL2 SDF SMILES Flexibase

36755956

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-3-(3-chlorophenyl)-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione (5S)-3-(3-chlorophenyl)-5-(2-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)	1.19	2.14	-21.94	1	6	0	84	316.766	4	↓ MOL2 SDF SMILES Flexibase

36755957

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-3-(3-chloro-4-methyl-phenyl)-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione (5S)-3-(3-chloro-4-methyl-phenyl…

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	2.71	-22.07	1	6	0	84	330.793	4	↓ MOL2 SDF SMILES Flexibase

36755958

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-3-(3-chloro-4-methyl-phenyl)-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione (5R)-3-(3-chloro-4-methyl-phenyl…

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	2.71	-22.07	1	6	0	84	330.793	4	↓ MOL2 SDF SMILES Flexibase

36755959

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-3-(2-methoxyphenyl)-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione (5S)-3-(2-methoxyphenyl)-5-(2-me…

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)	0.54	1.16	-26.6	1	7	0	93	312.347	5	↓ MOL2 SDF SMILES Flexibase

36755960

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-3-(2-methoxyphenyl)-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione (5R)-3-(2-methoxyphenyl)-5-(2-me…

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)	0.54	1.16	-26.09	1	7	0	93	312.347	5	↓ MOL2 SDF SMILES Flexibase

36755961

Analogs

8507250
8507246
12556302

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-(2-methylsulfonylethyl)-3-(m-tolyl)imidazolidine-2,4-dione (5S)-5-(2-methylsulfonylethyl)-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)	0.96	2.28	-22.47	1	6	0	84	296.348	4	↓ MOL2 SDF SMILES Flexibase

36755962

Analogs

8507250
8507246
12556302

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-(2-methylsulfonylethyl)-3-(m-tolyl)imidazolidine-2,4-dione (5R)-5-(2-methylsulfonylethyl)-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)	0.96	2.28	-22.42	1	6	0	84	296.348	4	↓ MOL2 SDF SMILES Flexibase

36755963

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-3-(2-chlorophenyl)-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione (5R)-3-(2-chlorophenyl)-5-(2-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)	1.16	2.55	-25.2	1	6	0	84	316.766	4	↓ MOL2 SDF SMILES Flexibase

36755964

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-3-(2-chlorophenyl)-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione (5S)-3-(2-chlorophenyl)-5-(2-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)	1.16	2.55	-24.09	1	6	0	84	316.766	4	↓ MOL2 SDF SMILES Flexibase

36755965

Analogs

8508059
8508063
8507565

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-3-(2,4-difluorophenyl)-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione (5R)-3-(2,4-difluorophenyl)-5-(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)	0.79	1.94	-24.79	1	6	0	84	318.301	4	↓ MOL2 SDF SMILES Flexibase

36755966

Analogs

8508059
8508063
8507565

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-3-(2,4-difluorophenyl)-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione (5S)-3-(2,4-difluorophenyl)-5-(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)	0.79	1.94	-23.21	1	6	0	84	318.301	4	↓ MOL2 SDF SMILES Flexibase

36755967

Analogs

3047981

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-(2-methylsulfonylethyl)-3-(p-tolyl)imidazolidine-2,4-dione (5S)-5-(2-methylsulfonylethyl)-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)	0.98	2.29	-22.33	1	6	0	84	296.348	4	↓ MOL2 SDF SMILES Flexibase

36755968

Analogs

3047981

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-(2-methylsulfonylethyl)-3-(p-tolyl)imidazolidine-2,4-dione (5R)-5-(2-methylsulfonylethyl)-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)	0.98	2.29	-22.31	1	6	0	84	296.348	4	↓ MOL2 SDF SMILES Flexibase

36755969

Analogs

8508059
8508063

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-3-(2-fluorophenyl)-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione (5R)-3-(2-fluorophenyl)-5-(2-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)	0.65	1.87	-26.71	1	6	0	84	300.311	4	↓ MOL2 SDF SMILES Flexibase

36755970

Analogs

8508059
8508063

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-3-(2-fluorophenyl)-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione (5S)-3-(2-fluorophenyl)-5-(2-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)	0.65	1.87	-25.28	1	6	0	84	300.311	4	↓ MOL2 SDF SMILES Flexibase

36755971

Analogs

8507567
8507565
12554235

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-3-(4-fluorophenyl)-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione (5R)-3-(4-fluorophenyl)-5-(2-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)	0.69	1.7	-21.15	1	6	0	84	300.311	4	↓ MOL2 SDF SMILES Flexibase

36755972

Analogs

8507567
8507565
12554235

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-3-(4-fluorophenyl)-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione (5S)-3-(4-fluorophenyl)-5-(2-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)	0.69	1.7	-21.24	1	6	0	84	300.311	4	↓ MOL2 SDF SMILES Flexibase

36755975

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-3-(3,4-dichlorophenyl)-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione (5R)-3-(3,4-dichlorophenyl)-5-(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)	1.82	2.6	-21.09	1	6	0	84	351.211	4	↓ MOL2 SDF SMILES Flexibase

36755976

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-3-(3,4-dichlorophenyl)-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione (5S)-3-(3,4-dichlorophenyl)-5-(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)	1.82	2.6	-21.09	1	6	0	84	351.211	4	↓ MOL2 SDF SMILES Flexibase

36755977

Analogs

3047979

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-3-(4-chlorophenyl)-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione (5R)-3-(4-chlorophenyl)-5-(2-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)	1.21	2.15	-20.98	1	6	0	84	316.766	4	↓ MOL2 SDF SMILES Flexibase

36755978

Analogs

3047979

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-3-(4-chlorophenyl)-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione (5S)-3-(4-chlorophenyl)-5-(2-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)	1.21	2.15	-20.98	1	6	0	84	316.766	4	↓ MOL2 SDF SMILES Flexibase

36756029

Analogs

44626373
19891413

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3-methyl-2,5-dioxo-imidazolidin-1-yl)benzonitrile 3-(3-methyl-2,5-dioxo-imidazolid…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.85	5.28	-11.71	0	5	0	64	215.212	1	↓ MOL2 SDF SMILES Flexibase

36756030

Analogs

44626346
44626369
1733075
2123022

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(3-methyl-2,5-dioxo-imidazolidin-1-yl)benzonitrile 4-(3-methyl-2,5-dioxo-imidazolid…

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)	0.87	5.3	-10.78	0	5	0	64	215.212	1	↓ MOL2 SDF SMILES Flexibase

36756031

Analogs

37606699
44626334
44626361
21298875
616400

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3-chlorophenyl)-1-methyl-imidazolidine-2,4-dione 3-(3-chlorophenyl)-1-methyl-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)	1.77	5.41	-9.89	0	4	0	41	224.647	1	↓ MOL2 SDF SMILES Flexibase

36756032

Analogs

44626359
44626417

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3-chloro-4-methyl-phenyl)-1-methyl-imidazolidine-2,4-dione 3-(3-chloro-4-methyl-phenyl)-1-m…

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)	2.17	5.99	-10.19	0	4	0	41	238.674	1	↓ MOL2 SDF SMILES Flexibase

36756033

Analogs

44626358
44626415
3159879
6490586

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-methoxyphenyl)-1-methyl-imidazolidine-2,4-dione 3-(2-methoxyphenyl)-1-methyl-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)	1.13	4.43	-15.11	0	5	0	50	220.228	2	↓ MOL2 SDF SMILES Flexibase

36756034

Analogs

44626356

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-3-(m-tolyl)imidazolidine-2,4-dione 1-methyl-3-(m-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)	1.54	5.56	-11	0	4	0	41	204.229	1	↓ MOL2 SDF SMILES Flexibase

36756035

Analogs

44626354
4105334

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-chlorophenyl)-1-methyl-imidazolidine-2,4-dione 3-(2-chlorophenyl)-1-methyl-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)	1.75	5.81	-13.05	0	4	0	41	224.647	1	↓ MOL2 SDF SMILES Flexibase

36756036

Analogs

44626342
44626352
44626409

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2,4-difluorophenyl)-1-methyl-imidazolidine-2,4-dione 3-(2,4-difluorophenyl)-1-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)	1.37	5.2	-12.35	0	4	0	41	226.182	1	↓ MOL2 SDF SMILES Flexibase

36756038

Analogs

44626346
44626369
44626403
1733075
2123022

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-3-(p-tolyl)imidazolidine-2,4-dione 1-methyl-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)	1.57	5.57	-10.8	0	4	0	41	204.229	1	↓ MOL2 SDF SMILES Flexibase

36756039

Analogs

44626340
527179

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-fluorophenyl)-1-methyl-imidazolidine-2,4-dione 3-(4-fluorophenyl)-1-methyl-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)	1.28	4.96	-9.26	0	4	0	41	208.192	1	↓ MOL2 SDF SMILES Flexibase

36756040

Analogs

44626338
5809381

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-3-(4-nitrophenyl)imidazolidine-2,4-dione 1-methyl-3-(4-nitrophenyl)imidaz…

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	5.61	-10.8	0	7	0	86	235.199	2	↓ MOL2 SDF SMILES Flexibase

36756041

Analogs

44626334
44626361
22016206
1573208
21298875

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3,4-dichlorophenyl)-1-methyl-imidazolidine-2,4-dione 3-(3,4-dichlorophenyl)-1-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)	2.40	5.86	-8.91	0	4	0	41	259.092	1	↓ MOL2 SDF SMILES Flexibase

36756042

Analogs

44626332
129540

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-chlorophenyl)-1-methyl-imidazolidine-2,4-dione 3-(4-chlorophenyl)-1-methyl-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)	1.80	5.42	-9.07	0	4	0	41	224.647	1	↓ MOL2 SDF SMILES Flexibase

36756098

Analogs

40860512
40860514
5390646
4981672

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4R)-4-isobutyl-2,5-dioxo-imidazolidin-1-yl]benzonitrile 3-[(4R)-4-isobutyl-2,5-dioxo-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)	2.24	5.74	-9.38	1	5	0	73	257.293	3	↓ MOL2 SDF SMILES Flexibase

36756099

Analogs

40860512
40860514
5390646
4981672

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4S)-4-isobutyl-2,5-dioxo-imidazolidin-1-yl]benzonitrile 3-[(4S)-4-isobutyl-2,5-dioxo-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)	2.24	5.79	-9.44	1	5	0	73	257.293	3	↓ MOL2 SDF SMILES Flexibase

36756100

Analogs

40860512
40860514

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(4R)-4-isobutyl-2,5-dioxo-imidazolidin-1-yl]benzonitrile 4-[(4R)-4-isobutyl-2,5-dioxo-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)	2.27	5.79	-8.43	1	5	0	73	257.293	3	↓ MOL2 SDF SMILES Flexibase

36756101

Analogs

40860512
40860514

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(4S)-4-isobutyl-2,5-dioxo-imidazolidin-1-yl]benzonitrile 4-[(4S)-4-isobutyl-2,5-dioxo-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)	2.27	5.76	-8.42	1	5	0	73	257.293	3	↓ MOL2 SDF SMILES Flexibase

36756102

Analogs

40402590
40402593
4295635

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-isobutyl-3-(4-methoxyphenyl)imidazolidine-2,4-dione (5R)-5-isobutyl-3-(4-methoxyphen…

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	4.65	-8.29	1	5	0	59	262.309	4	↓ MOL2 SDF SMILES Flexibase

36756103

Analogs

40402590
40402593
4295635

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-isobutyl-3-(4-methoxyphenyl)imidazolidine-2,4-dione (5S)-5-isobutyl-3-(4-methoxyphen…

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	4.7	-8.34	1	5	0	59	262.309	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 1422
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 = 1422 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=1422&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": "1422"        

    });
</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