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

49378042

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-phenyl-imidazolidin-2-one 1-[2-oxo-2-(4-phenylpiperazin-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)	2.74	10.46	-20.08	0	6	0	47	364.449	4	↓ MOL2 SDF SMILES Flexibase

49378052

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl]-3-phenyl-imidazolidin-2-one 1-[2-[4-(2-chlorophenyl)piperazi…

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	11.55	-19.66	0	6	0	47	398.894	4	↓ MOL2 SDF SMILES Flexibase

49378054

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl]-3-phenyl-imidazolidin-2-one 1-[2-[4-(3-chlorophenyl)piperazi…

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)	3.39	10.96	-21.1	0	6	0	47	398.894	4	↓ MOL2 SDF SMILES Flexibase

49378056

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl]-3-phenyl-imidazolidin-2-one 1-[2-[4-(2-fluorophenyl)piperazi…

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)	2.85	10.96	-20.81	0	6	0	47	382.439	4	↓ MOL2 SDF SMILES Flexibase

49378058

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl]-3-phenyl-imidazolidin-2-one 1-[2-[4-(4-fluorophenyl)piperazi…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.90	10.52	-21.44	0	6	0	47	382.439	4	↓ MOL2 SDF SMILES Flexibase

49378060

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]-3-phenyl-imidazolidin-2-one 1-[2-[4-(4-methoxyphenyl)piperaz…

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)	2.79	9.75	-21.8	0	7	0	56	394.475	5	↓ MOL2 SDF SMILES Flexibase

49378063

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]-3-phenyl-imidazolidin-2-one 1-[2-[4-(2-methoxyphenyl)piperaz…

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)	2.75	10.25	-20.21	0	7	0	56	394.475	5	↓ MOL2 SDF SMILES Flexibase

49378585

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-3-phenyl-imidazolidin-2-one 1-[2-oxo-2-[4-[3-(trifluoromethy…

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)	3.61	11.46	-22.21	0	6	0	47	432.446	5	↓ MOL2 SDF SMILES Flexibase

49378588

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl]-3-phenyl-imidazolidin-2-one 1-[2-[4-(4-chlorophenyl)piperazi…

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)	3.41	10.97	-20.63	0	6	0	47	398.894	4	↓ MOL2 SDF SMILES Flexibase

49378591

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxo-ethyl]-3-phenyl-imidazolidin-2-one 1-[2-[4-(4-acetylphenyl)piperazi…

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)	2.64	10.87	-26.63	0	7	0	64	406.486	5	↓ MOL2 SDF SMILES Flexibase

49378604

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]-3-phenyl-imidazolidin-2-one 1-[2-[4-(3-methoxyphenyl)piperaz…

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)	2.77	9.76	-22.17	0	7	0	56	394.475	5	↓ MOL2 SDF SMILES Flexibase

49378615

Analogs

6398324
4239696

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[4-(m-tolyl)piperazin-1-yl]-2-oxo-ethyl]-3-phenyl-imidazolidin-2-one 1-[2-[4-(m-tolyl)piperazin-1-yl]…

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)	3.16	11.13	-20.16	0	6	0	47	378.476	4	↓ MOL2 SDF SMILES Flexibase

49378642

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxo-ethyl]-3-phenyl-imidazolidin-2-one 1-[2-[4-(2,5-dimethylphenyl)pipe…

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)	3.56	12.6	-19	0	6	0	47	392.503	4	↓ MOL2 SDF SMILES Flexibase

49378645

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-oxo-ethyl]-3-phenyl-imidazolidin-2-one 1-[2-[4-(2,3-dichlorophenyl)pipe…

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)	4.00	12.01	-20.97	0	6	0	47	433.339	4	↓ MOL2 SDF SMILES Flexibase

49378656

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-2-oxo-ethyl]-3-phenyl-imidazolidin-2-one 1-[2-[4-(5-chloro-2-methyl-pheny…

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)	3.79	12.45	-19.64	0	6	0	47	412.921	4	↓ MOL2 SDF SMILES Flexibase

49378668

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-oxo-ethyl]-3-phenyl-imidazolidin-2-one 1-[2-[4-(3,4-dichlorophenyl)pipe…

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)	4.02	11.42	-22.01	0	6	0	47	433.339	4	↓ MOL2 SDF SMILES Flexibase

49378686

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxo-ethyl]-3-phenyl-imidazolidin-2-one 1-[2-[4-(2-hydroxyphenyl)piperaz…

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)	2.47	8.1	-21.09	1	7	0	67	380.448	4	↓ MOL2 SDF SMILES Flexibase

49379033

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-(p-tolyl)imidazolidin-2-one 1-[2-oxo-2-(4-phenylpiperazin-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)	3.19	11.13	-20.14	0	6	0	47	378.476	4	↓ MOL2 SDF SMILES Flexibase

49379047

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl]-3-(p-tolyl)imidazolidin-2-one 1-[2-[4-(2-chlorophenyl)piperazi…

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)	3.82	12.23	-19.73	0	6	0	47	412.921	4	↓ MOL2 SDF SMILES Flexibase

49379050

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl]-3-(p-tolyl)imidazolidin-2-one 1-[2-[4-(3-chlorophenyl)piperazi…

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)	3.84	11.64	-21.11	0	6	0	47	412.921	4	↓ MOL2 SDF SMILES Flexibase

49379053

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl]-3-(p-tolyl)imidazolidin-2-one 1-[2-[4-(2-fluorophenyl)piperazi…

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)	3.30	11.64	-20.88	0	6	0	47	396.466	4	↓ MOL2 SDF SMILES Flexibase

49379056

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl]-3-(p-tolyl)imidazolidin-2-one 1-[2-[4-(4-fluorophenyl)piperazi…

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)	3.35	11.2	-21.49	0	6	0	47	396.466	4	↓ MOL2 SDF SMILES Flexibase

49379059

Analogs

33752123

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]-3-(p-tolyl)imidazolidin-2-one 1-[2-[4-(4-methoxyphenyl)piperaz…

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)	3.24	10.41	-21.89	0	7	0	56	408.502	5	↓ MOL2 SDF SMILES Flexibase

49379063

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]-3-(p-tolyl)imidazolidin-2-one 1-[2-[4-(2-methoxyphenyl)piperaz…

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)	3.19	10.93	-20.12	0	7	0	56	408.502	5	↓ MOL2 SDF SMILES Flexibase

49379647

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-3-(p-tolyl)imidazolidin-2-one 1-[2-oxo-2-[4-[3-(trifluoromethy…

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)	4.06	12.14	-22.19	0	6	0	47	446.473	5	↓ MOL2 SDF SMILES Flexibase

49379650

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl]-3-(p-tolyl)imidazolidin-2-one 1-[2-[4-(4-chlorophenyl)piperazi…

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)	3.86	11.65	-20.66	0	6	0	47	412.921	4	↓ MOL2 SDF SMILES Flexibase

49379653

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxo-ethyl]-3-(p-tolyl)imidazolidin-2-one 1-[2-[4-(4-acetylphenyl)piperazi…

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	11.53	-24.97	0	7	0	64	420.513	5	↓ MOL2 SDF SMILES Flexibase

49379666

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]-3-(p-tolyl)imidazolidin-2-one 1-[2-[4-(3-methoxyphenyl)piperaz…

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	10.43	-22.26	0	7	0	56	408.502	5	↓ MOL2 SDF SMILES Flexibase

49379676

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[4-(m-tolyl)piperazin-1-yl]-2-oxo-ethyl]-3-(p-tolyl)imidazolidin-2-one 1-[2-[4-(m-tolyl)piperazin-1-yl]…

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)	3.61	11.79	-20.2	0	6	0	47	392.503	4	↓ MOL2 SDF SMILES Flexibase

49379704

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxo-ethyl]-3-(p-tolyl)imidazolidin-2-one 1-[2-[4-(2,5-dimethylphenyl)pipe…

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)	4.01	13.09	-18.62	0	6	0	47	406.53	4	↓ MOL2 SDF SMILES Flexibase

49379708

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-oxo-ethyl]-3-(p-tolyl)imidazolidin-2-one 1-[2-[4-(2,3-dichlorophenyl)pipe…

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)	4.45	12.68	-20.89	0	6	0	47	447.366	4	↓ MOL2 SDF SMILES Flexibase

49379716

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-2-oxo-ethyl]-3-(p-tolyl)imidazolidin-2-one 1-[2-[4-(5-chloro-2-methyl-pheny…

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)	4.24	12.93	-18.72	0	6	0	47	426.948	4	↓ MOL2 SDF SMILES Flexibase

49379729

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-oxo-ethyl]-3-(p-tolyl)imidazolidin-2-one 1-[2-[4-(3,4-dichlorophenyl)pipe…

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)	4.47	12.1	-22	0	6	0	47	447.366	4	↓ MOL2 SDF SMILES Flexibase

49379750

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxo-ethyl]-3-(p-tolyl)imidazolidin-2-one 1-[2-[4-(2-hydroxyphenyl)piperaz…

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	8.78	-21.09	1	7	0	67	394.475	4	↓ MOL2 SDF SMILES Flexibase

49380097

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-fluorophenyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]imidazolidin-2-one 1-(4-fluorophenyl)-3-[2-oxo-2-(4…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.90	10.53	-19.63	0	6	0	47	382.439	4	↓ MOL2 SDF SMILES Flexibase

49380110

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl]-3-(4-fluorophenyl)imidazolidin-2-one 1-[2-[4-(2-chlorophenyl)piperazi…

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	11.71	-18.64	0	6	0	47	416.884	4	↓ MOL2 SDF SMILES Flexibase

49380112

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl]-3-(4-fluorophenyl)imidazolidin-2-one 1-[2-[4-(3-chlorophenyl)piperazi…

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)	3.55	11.04	-20.66	0	6	0	47	416.884	4	↓ MOL2 SDF SMILES Flexibase

49380115

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-fluorophenyl)-3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl]imidazolidin-2-one 1-(4-fluorophenyl)-3-[2-[4-(2-fl…

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	11.02	-19.63	0	6	0	47	400.429	4	↓ MOL2 SDF SMILES Flexibase

49380119

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-fluorophenyl)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl]imidazolidin-2-one 1-(4-fluorophenyl)-3-[2-[4-(4-fl…

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	10.6	-21.01	0	6	0	47	400.429	4	↓ MOL2 SDF SMILES Flexibase

49380122

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-fluorophenyl)-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]imidazolidin-2-one 1-(4-fluorophenyl)-3-[2-[4-(4-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)	2.96	9.82	-21.4	0	7	0	56	412.465	5	↓ MOL2 SDF SMILES Flexibase

49380125

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-fluorophenyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]imidazolidin-2-one 1-(4-fluorophenyl)-3-[2-[4-(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)	2.91	10.32	-19.73	0	7	0	56	412.465	5	↓ MOL2 SDF SMILES Flexibase

49380678

Analogs

34976297

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-fluorophenyl)-3-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]imidazolidin-2-one 1-(4-fluorophenyl)-3-[2-oxo-2-[4…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.77	11.55	-20.05	0	6	0	47	450.436	5	↓ MOL2 SDF SMILES Flexibase

49380680

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl]-3-(4-fluorophenyl)imidazolidin-2-one 1-[2-[4-(4-chlorophenyl)piperazi…

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)	3.58	11.04	-20.27	0	6	0	47	416.884	4	↓ MOL2 SDF SMILES Flexibase

49380683

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxo-ethyl]-3-(4-fluorophenyl)imidazolidin-2-one 1-[2-[4-(4-acetylphenyl)piperazi…

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	11.01	-26.33	0	7	0	64	424.476	5	↓ MOL2 SDF SMILES Flexibase

49380691

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-fluorophenyl)-3-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]imidazolidin-2-one 1-(4-fluorophenyl)-3-[2-[4-(3-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)	2.93	9.83	-21.78	0	7	0	56	412.465	5	↓ MOL2 SDF SMILES Flexibase

49380697

Analogs

16613343

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-fluorophenyl)-3-[2-[4-(m-tolyl)piperazin-1-yl]-2-oxo-ethyl]imidazolidin-2-one 1-(4-fluorophenyl)-3-[2-[4-(m-to…

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)	3.33	11.19	-19.7	0	6	0	47	396.466	4	↓ MOL2 SDF SMILES Flexibase

49380719

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxo-ethyl]-3-(4-fluorophenyl)imidazolidin-2-one 1-[2-[4-(2,5-dimethylphenyl)pipe…

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)	3.73	12.67	-18.53	0	6	0	47	410.493	4	↓ MOL2 SDF SMILES Flexibase

49380721

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-oxo-ethyl]-3-(4-fluorophenyl)imidazolidin-2-one 1-[2-[4-(2,3-dichlorophenyl)pipe…

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)	4.16	12.18	-19.48	0	6	0	47	451.329	4	↓ MOL2 SDF SMILES Flexibase

49380727

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-2-oxo-ethyl]-3-(4-fluorophenyl)imidazolidin-2-one 1-[2-[4-(5-chloro-2-methyl-pheny…

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)	3.96	12.52	-19.18	0	6	0	47	430.911	4	↓ MOL2 SDF SMILES Flexibase

49380736

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-oxo-ethyl]-3-(4-fluorophenyl)imidazolidin-2-one 1-[2-[4-(3,4-dichlorophenyl)pipe…

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)	4.18	11.49	-21.62	0	6	0	47	451.329	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 558316
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 = 558316 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=558316&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": "558316"        

    });
</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