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

20892165

Analogs

20892170
39725200
39725203
20726304
20726307

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[2-(4-benzoylpiperazin-1-yl)ethyl]-5-oxo-1-phenyl-pyrrolidine-3-carboxamide (3R)-N-[2-(4-benzoylpiperazin-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)	0.99	7.07	-21.34	1	7	0	73	420.513	6	↓ MOL2 SDF SMILES Flexibase

20892170

Analogs

39725200
39725203
20726304
20726307
20892165

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[2-(4-benzoylpiperazin-1-yl)ethyl]-5-oxo-1-phenyl-pyrrolidine-3-carboxamide (3S)-N-[2-(4-benzoylpiperazin-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)	0.99	6.88	-21.3	1	7	0	73	420.513	6	↓ MOL2 SDF SMILES Flexibase

20892174

Analogs

20892178
39725184
39725187
39725205
39725208

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[2-[4-(2-methylbenzoyl)piperazin-1-yl]ethyl]-5-oxo-1-phenyl-pyrrolidine-3-carboxamide (3S)-N-[2-[4-(2-methylbenzoyl)pi…

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)	1.39	7.6	-20.29	1	7	0	73	434.54	6	↓ MOL2 SDF SMILES Flexibase

20892178

Analogs

39725184
39725187
39725205
39725208
20892174

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[2-[4-(2-methylbenzoyl)piperazin-1-yl]ethyl]-5-oxo-1-phenyl-pyrrolidine-3-carboxamide (3R)-N-[2-[4-(2-methylbenzoyl)pi…

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)	1.39	7.77	-20.59	1	7	0	73	434.54	6	↓ MOL2 SDF SMILES Flexibase

20892182

Analogs

20892187
20892202
20892206

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[2-[4-(3-methylbenzoyl)piperazin-1-yl]ethyl]-5-oxo-1-phenyl-pyrrolidine-3-carboxamide (3S)-N-[2-[4-(3-methylbenzoyl)pi…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.41	7.54	-21.35	1	7	0	73	434.54	6	↓ MOL2 SDF SMILES Flexibase

20892187

Analogs

20892202
20892206
20892182

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[2-[4-(3-methylbenzoyl)piperazin-1-yl]ethyl]-5-oxo-1-phenyl-pyrrolidine-3-carboxamide (3R)-N-[2-[4-(3-methylbenzoyl)pi…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.41	7.73	-21.43	1	7	0	73	434.54	6	↓ MOL2 SDF SMILES Flexibase

20892192

Analogs

20892196

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[2-[4-(4-methylbenzoyl)piperazin-1-yl]ethyl]-5-oxo-1-phenyl-pyrrolidine-3-carboxamide (3S)-N-[2-[4-(4-methylbenzoyl)pi…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.44	7.72	-23.08	1	7	0	73	434.54	6	↓ MOL2 SDF SMILES Flexibase

20892196

Analogs

20892192

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[2-[4-(4-methylbenzoyl)piperazin-1-yl]ethyl]-5-oxo-1-phenyl-pyrrolidine-3-carboxamide (3R)-N-[2-[4-(4-methylbenzoyl)pi…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.44	7.77	-21.04	1	7	0	73	434.54	6	↓ MOL2 SDF SMILES Flexibase

20892202

Analogs

20892206
20892182
20892187

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[2-[4-(3,5-dimethylbenzoyl)piperazin-1-yl]ethyl]-5-oxo-1-phenyl-pyrrolidine-3-carboxamide (3S)-N-[2-[4-(3,5-dimethylbenzoy…

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	8.37	-21.36	1	7	0	73	448.567	6	↓ MOL2 SDF SMILES Flexibase

20892206

Analogs

20892182
20892187
20892202

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[2-[4-(3,5-dimethylbenzoyl)piperazin-1-yl]ethyl]-5-oxo-1-phenyl-pyrrolidine-3-carboxamide (3R)-N-[2-[4-(3,5-dimethylbenzoy…

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	8.42	-21.1	1	7	0	73	448.567	6	↓ MOL2 SDF SMILES Flexibase

20892211

Analogs

20892215
39693962
39693963

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[2-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]ethyl]-5-oxo-1-phenyl-pyrrolidine-3-carboxamide (3S)-N-[2-[4-(3,4-dimethylbenzoy…

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	8.4	-21.51	1	7	0	73	448.567	6	↓ MOL2 SDF SMILES Flexibase

20892215

Analogs

20892211

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[2-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]ethyl]-5-oxo-1-phenyl-pyrrolidine-3-carboxamide (3R)-N-[2-[4-(3,4-dimethylbenzoy…

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	8.43	-21.18	1	7	0	73	448.567	6	↓ MOL2 SDF SMILES Flexibase

20892219

Analogs

20892224

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethyl]-5-oxo-1-phenyl-pyrrolidine-3-carboxamide (3S)-N-[2-[4-(4-tert-butylbenzoy…

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)	2.70	9.39	-22.48	1	7	0	73	476.621	7	↓ MOL2 SDF SMILES Flexibase

20892224

Analogs

20892219

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethyl]-5-oxo-1-phenyl-pyrrolidine-3-carboxamide (3R)-N-[2-[4-(4-tert-butylbenzoy…

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)	2.70	9.44	-20.62	1	7	0	73	476.621	7	↓ MOL2 SDF SMILES Flexibase

20892228

Analogs

20892233
39693882
39693883
20745542
20745543

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[2-[4-(2-methoxybenzoyl)piperazin-1-yl]ethyl]-5-oxo-1-phenyl-pyrrolidine-3-carboxamide (3S)-N-[2-[4-(2-methoxybenzoyl)p…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.55	6.62	-24.01	1	8	0	82	450.539	7	↓ MOL2 SDF SMILES Flexibase

20892233

Analogs

39693882
39693883
20745542
20745543
20892228

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[2-[4-(2-methoxybenzoyl)piperazin-1-yl]ethyl]-5-oxo-1-phenyl-pyrrolidine-3-carboxamide (3R)-N-[2-[4-(2-methoxybenzoyl)p…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.55	7.12	-24.24	1	8	0	82	450.539	7	↓ MOL2 SDF SMILES Flexibase

20892237

Analogs

20892242
39693874
39693875

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[2-[4-(3-methoxybenzoyl)piperazin-1-yl]ethyl]-5-oxo-1-phenyl-pyrrolidine-3-carboxamide (3S)-N-[2-[4-(3-methoxybenzoyl)p…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.02	6.19	-23.62	1	8	0	82	450.539	7	↓ MOL2 SDF SMILES Flexibase

20892242

Analogs

39693874
39693875
20892237

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[2-[4-(3-methoxybenzoyl)piperazin-1-yl]ethyl]-5-oxo-1-phenyl-pyrrolidine-3-carboxamide (3R)-N-[2-[4-(3-methoxybenzoyl)p…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.02	6.37	-25.78	1	8	0	82	450.539	7	↓ MOL2 SDF SMILES Flexibase

20892247

Analogs

20892252

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]ethyl]-5-oxo-1-phenyl-pyrrolidine-3-carboxamide (3S)-N-[2-[4-(4-methoxybenzoyl)p…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.05	6.39	-22.05	1	8	0	82	450.539	7	↓ MOL2 SDF SMILES Flexibase

20892252

Analogs

20892247

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]ethyl]-5-oxo-1-phenyl-pyrrolidine-3-carboxamide (3R)-N-[2-[4-(4-methoxybenzoyl)p…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.05	6.43	-21.46	1	8	0	82	450.539	7	↓ MOL2 SDF SMILES Flexibase

20892257

Analogs

20892261
39693928
39693929
39725093
39725096

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[2-[4-(2-ethoxybenzoyl)piperazin-1-yl]ethyl]-5-oxo-1-phenyl-pyrrolidine-3-carboxamide (3S)-N-[2-[4-(2-ethoxybenzoyl)pi…

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)	1.92	8.3	-26.46	1	8	0	82	464.566	8	↓ MOL2 SDF SMILES Flexibase

20892261

Analogs

39693928
39693929
39725093
39725096
20892257

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[2-[4-(2-ethoxybenzoyl)piperazin-1-yl]ethyl]-5-oxo-1-phenyl-pyrrolidine-3-carboxamide (3R)-N-[2-[4-(2-ethoxybenzoyl)pi…

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)	1.92	8.04	-24.18	1	8	0	82	464.566	8	↓ MOL2 SDF SMILES Flexibase

20892265

Analogs

20892268
39693892
39693893

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[2-[4-(4-ethoxybenzoyl)piperazin-1-yl]ethyl]-5-oxo-1-phenyl-pyrrolidine-3-carboxamide (3S)-N-[2-[4-(4-ethoxybenzoyl)pi…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.42	7.33	-21.8	1	8	0	82	464.566	8	↓ MOL2 SDF SMILES Flexibase

20892268

Analogs

39693892
39693893
20892265

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[2-[4-(4-ethoxybenzoyl)piperazin-1-yl]ethyl]-5-oxo-1-phenyl-pyrrolidine-3-carboxamide (3R)-N-[2-[4-(4-ethoxybenzoyl)pi…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.42	7.37	-21.23	1	8	0	82	464.566	8	↓ MOL2 SDF SMILES Flexibase

20892272

Analogs

20892277

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[2-[4-(4-isopropoxybenzoyl)piperazin-1-yl]ethyl]-5-oxo-1-phenyl-pyrrolidine-3-carboxamide (3S)-N-[2-[4-(4-isopropoxybenzoy…

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)	1.79	8	-21.25	1	8	0	82	478.593	8	↓ MOL2 SDF SMILES Flexibase

20892277

Analogs

20892272

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[2-[4-(4-isopropoxybenzoyl)piperazin-1-yl]ethyl]-5-oxo-1-phenyl-pyrrolidine-3-carboxamide (3R)-N-[2-[4-(4-isopropoxybenzoy…

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)	1.79	8.04	-21.58	1	8	0	82	478.593	8	↓ MOL2 SDF SMILES Flexibase

20892281

Analogs

20892286

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[2-[4-(4-butoxybenzoyl)piperazin-1-yl]ethyl]-5-oxo-1-phenyl-pyrrolidine-3-carboxamide (3S)-N-[2-[4-(4-butoxybenzoyl)pi…

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)	2.48	8.9	-21.51	1	8	0	82	492.62	10	↓ MOL2 SDF SMILES Flexibase

20892286

Analogs

20892281

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[2-[4-(4-butoxybenzoyl)piperazin-1-yl]ethyl]-5-oxo-1-phenyl-pyrrolidine-3-carboxamide (3R)-N-[2-[4-(4-butoxybenzoyl)pi…

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)	2.48	8.94	-20.85	1	8	0	82	492.62	10	↓ MOL2 SDF SMILES Flexibase

20892290

Analogs

20892294
39693896
39693897

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[2-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]ethyl]-5-oxo-1-phenyl-pyrrolidine-3-carboxamide (3S)-N-[2-[4-(2,4-dimethoxybenzo…

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)	1.58	5.93	-24.27	1	9	0	91	480.565	8	↓ MOL2 SDF SMILES Flexibase

20892294

Analogs

39693896
39693897
20892290

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[2-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]ethyl]-5-oxo-1-phenyl-pyrrolidine-3-carboxamide (3R)-N-[2-[4-(2,4-dimethoxybenzo…

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)	1.58	6.49	-24.59	1	9	0	91	480.565	8	↓ MOL2 SDF SMILES Flexibase

20892298

Analogs

20892302
20724337
20724341

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]ethyl]-5-oxo-1-phenyl-pyrrolidine-3-carboxamide (3S)-N-[2-[4-(3,4-dimethoxybenzo…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.64	6.32	-26	1	9	0	91	480.565	8	↓ MOL2 SDF SMILES Flexibase

20892302

Analogs

39693884
39693885
20724337
20724341
20892298

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]ethyl]-5-oxo-1-phenyl-pyrrolidine-3-carboxamide (3R)-N-[2-[4-(3,4-dimethoxybenzo…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.64	6.36	-24.08	1	9	0	91	480.565	8	↓ MOL2 SDF SMILES Flexibase

20892307

Analogs

20892311
39693976
39693977

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[2-[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]ethyl]-5-oxo-1-phenyl-pyrrolidine-3-carboxamide (3S)-N-[2-[4-(2,3-dimethoxybenzo…

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)	1.36	7.2	-29.42	1	9	0	91	480.565	8	↓ MOL2 SDF SMILES Flexibase

20892311

Analogs

39693976
39693977
20892307

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[2-[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]ethyl]-5-oxo-1-phenyl-pyrrolidine-3-carboxamide (3R)-N-[2-[4-(2,3-dimethoxybenzo…

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)	1.36	7.45	-29.65	1	9	0	91	480.565	8	↓ MOL2 SDF SMILES Flexibase

20892315

Analogs

20892319
39693870
39693871
20716009
20716014

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]ethyl]-5-oxo-1-phenyl-pyrrolidine-3-carboxamide (3S)-N-[2-[4-(3,5-dimethoxybenzo…

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)	1.03	5.71	-23.88	1	9	0	91	480.565	8	↓ MOL2 SDF SMILES Flexibase

20892319

Analogs

39693870
39693871
20716009
20716014
20892315

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]ethyl]-5-oxo-1-phenyl-pyrrolidine-3-carboxamide (3R)-N-[2-[4-(3,5-dimethoxybenzo…

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)	1.03	5.72	-22.71	1	9	0	91	480.565	8	↓ MOL2 SDF SMILES Flexibase

20892336

Analogs

20892340

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[2-[4-(3,4-diethoxybenzoyl)piperazin-1-yl]ethyl]-5-oxo-1-phenyl-pyrrolidine-3-carboxamide (3S)-N-[2-[4-(3,4-diethoxybenzoy…

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)	1.39	7.98	-23.76	1	9	0	91	508.619	10	↓ MOL2 SDF SMILES Flexibase

20892340

Analogs

20892336

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[2-[4-(3,4-diethoxybenzoyl)piperazin-1-yl]ethyl]-5-oxo-1-phenyl-pyrrolidine-3-carboxamide (3R)-N-[2-[4-(3,4-diethoxybenzoy…

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)	1.39	8.15	-23.9	1	9	0	91	508.619	10	↓ MOL2 SDF SMILES Flexibase

20892344

Analogs

20892349

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-5-oxo-1-phenyl-N-[2-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide (3S)-5-oxo-1-phenyl-N-[2-[4-(3,4…

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)	0.62	6.07	-23.68	1	10	0	101	510.591	9	↓ MOL2 SDF SMILES Flexibase

20892349

Analogs

20892344

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-5-oxo-1-phenyl-N-[2-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide (3R)-5-oxo-1-phenyl-N-[2-[4-(3,4…

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)	0.62	6.24	-23.85	1	10	0	101	510.591	9	↓ MOL2 SDF SMILES Flexibase

20892353

Analogs

20892358
20725906
20725910

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[2-[4-(2-fluorobenzoyl)piperazin-1-yl]ethyl]-5-oxo-1-phenyl-pyrrolidine-3-carboxamide (3S)-N-[2-[4-(2-fluorobenzoyl)pi…

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)	1.11	7.11	-27.39	1	7	0	73	438.503	6	↓ MOL2 SDF SMILES Flexibase

20892358

Analogs

20725906
20725910
20892353

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[2-[4-(2-fluorobenzoyl)piperazin-1-yl]ethyl]-5-oxo-1-phenyl-pyrrolidine-3-carboxamide (3R)-N-[2-[4-(2-fluorobenzoyl)pi…

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)	1.11	7.16	-24.53	1	7	0	73	438.503	6	↓ MOL2 SDF SMILES Flexibase

20892363

Analogs

20892370

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[2-[4-(3-fluorobenzoyl)piperazin-1-yl]ethyl]-5-oxo-1-phenyl-pyrrolidine-3-carboxamide (3S)-N-[2-[4-(3-fluorobenzoyl)pi…

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	6.93	-21.07	1	7	0	73	438.503	6	↓ MOL2 SDF SMILES Flexibase

20892370

Analogs

20892363

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[2-[4-(3-fluorobenzoyl)piperazin-1-yl]ethyl]-5-oxo-1-phenyl-pyrrolidine-3-carboxamide (3R)-N-[2-[4-(3-fluorobenzoyl)pi…

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	7.16	-22.6	1	7	0	73	438.503	6	↓ MOL2 SDF SMILES Flexibase

20892374

Analogs

20892379

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[2-[4-(4-fluorobenzoyl)piperazin-1-yl]ethyl]-5-oxo-1-phenyl-pyrrolidine-3-carboxamide (3S)-N-[2-[4-(4-fluorobenzoyl)pi…

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)	1.15	6.94	-20.55	1	7	0	73	438.503	6	↓ MOL2 SDF SMILES Flexibase

20892379

Analogs

55625202
55625203
20892374

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[2-[4-(4-fluorobenzoyl)piperazin-1-yl]ethyl]-5-oxo-1-phenyl-pyrrolidine-3-carboxamide (3R)-N-[2-[4-(4-fluorobenzoyl)pi…

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)	1.15	7.16	-20.65	1	7	0	73	438.503	6	↓ MOL2 SDF SMILES Flexibase

20892384

Analogs

20892388

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[2-[4-(2-chlorobenzoyl)piperazin-1-yl]ethyl]-5-oxo-1-phenyl-pyrrolidine-3-carboxamide (3S)-N-[2-[4-(2-chlorobenzoyl)pi…

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)	1.62	7.54	-22.77	1	7	0	73	454.958	6	↓ MOL2 SDF SMILES Flexibase

20892388

Analogs

20892384

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[2-[4-(2-chlorobenzoyl)piperazin-1-yl]ethyl]-5-oxo-1-phenyl-pyrrolidine-3-carboxamide (3R)-N-[2-[4-(2-chlorobenzoyl)pi…

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)	1.62	7.6	-22.46	1	7	0	73	454.958	6	↓ MOL2 SDF SMILES Flexibase

20892393

Analogs

20892398
39693908
39693909

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[2-[4-(3-chlorobenzoyl)piperazin-1-yl]ethyl]-5-oxo-1-phenyl-pyrrolidine-3-carboxamide (3S)-N-[2-[4-(3-chlorobenzoyl)pi…

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)	1.64	7.37	-20.85	1	7	0	73	454.958	6	↓ MOL2 SDF SMILES Flexibase

20892398

Analogs

20892393

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[2-[4-(3-chlorobenzoyl)piperazin-1-yl]ethyl]-5-oxo-1-phenyl-pyrrolidine-3-carboxamide (3R)-N-[2-[4-(3-chlorobenzoyl)pi…

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)	1.64	7.61	-21.87	1	7	0	73	454.958	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 77117
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 = 77117 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=77117&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": "77117"        

    });
</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