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

46671883

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[4-(diethylaminomethyl)benzoyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide 2-[4-[4-(diethylaminomethyl)benz…

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)	2.69	9.47	-53.27	2	6	1	57	427.544	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.69	11.68	-97.38	3	6	2	58	428.552	8	↓ MOL2 SDF SMILES Flexibase

46672529

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-methyl-N-phenyl-acetamide 2-[4-(2,4-dichlorobenzoyl)pipera…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.13	8.95	-15.04	0	5	0	44	406.313	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.13	11.11	-52.07	1	5	1	45	407.321	4	↓ MOL2 SDF SMILES Flexibase

62284452

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(4-allyloxy-3-methoxy-benzoyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide 2-[4-(4-allyloxy-3-methoxy-benzo…

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)	3.10	8.15	-16.01	1	7	0	71	477.483	9	↓ MOL2 SDF SMILES Flexibase

22654535

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide 2-[4-(3,4-difluorobenzoyl)pipera…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.02	7.69	-16.66	1	5	0	53	387.43	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.02	9.82	-59.59	2	5	1	54	388.438	4	↓ MOL2 SDF SMILES Flexibase

23004456

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide 2-[4-(2-fluorobenzoyl)piperazin-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.20	6.44	-14.96	1	5	0	53	359.376	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.20	8.6	-50.5	2	5	1	54	360.384	4	↓ MOL2 SDF SMILES Flexibase

23928906

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-ethylphenyl)-2-[4-(2-methoxy-5-methyl-benzoyl)piperazin-1-yl]acetamide N-(2-ethylphenyl)-2-[4-(2-methox…

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	8.23	-18.01	1	6	0	62	395.503	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.82	10.41	-53.29	2	6	1	63	396.511	6	↓ MOL2 SDF SMILES Flexibase

56851590

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(4-benzoylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide (2R)-2-(4-benzoylpiperazin-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)	2.19	8.82	-12.23	1	5	0	53	379.504	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.19	11.06	-47.64	2	5	1	54	380.512	4	↓ MOL2 SDF SMILES Flexibase

56851591

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(4-benzoylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide (2S)-2-(4-benzoylpiperazin-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)	2.19	8.87	-14.71	1	5	0	53	379.504	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.19	11.01	-45.06	2	5	1	54	380.512	4	↓ MOL2 SDF SMILES Flexibase

56851610

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(4-benzoylpiperazin-1-yl)-N-[2-[(1R)-1-methylpropyl]phenyl]propanamide (2R)-2-(4-benzoylpiperazin-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)	3.26	9.33	-11.86	1	5	0	53	393.531	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.26	11.57	-47.23	2	5	1	54	394.539	6	↓ MOL2 SDF SMILES Flexibase

56851612

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(4-benzoylpiperazin-1-yl)-N-[2-[(1S)-1-methylpropyl]phenyl]propanamide (2R)-2-(4-benzoylpiperazin-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)	3.26	9.32	-11.91	1	5	0	53	393.531	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.26	11.56	-47.24	2	5	1	54	394.539	6	↓ MOL2 SDF SMILES Flexibase

56851613

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(4-benzoylpiperazin-1-yl)-N-[2-[(1R)-1-methylpropyl]phenyl]propanamide (2S)-2-(4-benzoylpiperazin-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)	3.26	9.37	-14.43	1	5	0	53	393.531	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.26	11.55	-44.98	2	5	1	54	394.539	6	↓ MOL2 SDF SMILES Flexibase

56851615

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(4-benzoylpiperazin-1-yl)-N-[2-[(1S)-1-methylpropyl]phenyl]propanamide (2S)-2-(4-benzoylpiperazin-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)	3.26	9.36	-14.44	1	5	0	53	393.531	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.26	11.55	-45	2	5	1	54	394.539	6	↓ MOL2 SDF SMILES Flexibase

14226495

Analogs

16614267

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,3-dimethylphenyl)-2-[4-(4-propoxybenzoyl)piperazin-1-yl]acetamide N-(2,3-dimethylphenyl)-2-[4-(4-p…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.70	8.65	-15.46	1	6	0	62	409.53	7	↓ MOL2 SDF SMILES Flexibase

14236057

Analogs

4457720

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(2-methylbenzoyl)piperazin-1-yl]-N-(p-tolyl)acetamide 2-[4-(2-methylbenzoyl)piperazin-…

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)	2.82	7.48	-15.11	1	5	0	53	351.45	4	↓ MOL2 SDF SMILES Flexibase

14237946

Analogs

8020975

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(3-bromo-4-methoxy-benzoyl)piperazin-1-yl]-N-(3-fluorophenyl)acetamide 2-[4-(3-bromo-4-methoxy-benzoyl)…

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	6.2	-16.53	1	6	0	62	450.308	5	↓ MOL2 SDF SMILES Flexibase

14240255

Analogs

16646788
31729181
4378733

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-(p-tolyl)acetamide 2-[4-(4-chlorobenzoyl)piperazin-…

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)	3.09	7.34	-11.84	1	5	0	53	371.868	4	↓ MOL2 SDF SMILES Flexibase

14240913

Analogs

14240914

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide (2R)-2-[4-(2-chlorobenzoyl)piper…

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)	2.82	9.32	-13.14	1	5	0	53	413.949	4	↓ MOL2 SDF SMILES Flexibase

14240914

Analogs

14240913

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide (2S)-2-[4-(2-chlorobenzoyl)piper…

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)	2.82	9.36	-15.76	1	5	0	53	413.949	4	↓ MOL2 SDF SMILES Flexibase

14241224

Analogs

6376224

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[3-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide 2-[4-[3-(difluoromethoxy)benzoyl…

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)	3.40	6.99	-15.99	1	6	0	62	457.399	7	↓ MOL2 SDF SMILES Flexibase

14244416

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[4-(dimethylsulfamoyl)benzoyl]piperazin-1-yl]-N-(p-tolyl)acetamide 2-[4-[4-(dimethylsulfamoyl)benzo…

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)	1.73	4.82	-17.31	1	8	0	90	444.557	6	↓ MOL2 SDF SMILES Flexibase

14245342

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(2-methoxybenzoyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide 2-[4-(2-methoxybenzoyl)piperazin…

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	7.17	-14.61	1	6	0	62	421.419	6	↓ MOL2 SDF SMILES Flexibase

14245343

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(3-chlorobenzoyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide 2-[4-(3-chlorobenzoyl)piperazin-…

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)	3.59	6.5	-17.35	1	6	0	62	441.837	6	↓ MOL2 SDF SMILES Flexibase

14245344

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(2,5-dimethoxybenzoyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide 2-[4-(2,5-dimethoxybenzoyl)piper…

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	5.23	-17.62	1	8	0	80	467.444	8	↓ MOL2 SDF SMILES Flexibase

14245924

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[3-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(p-tolyl)acetamide 2-[4-[3-(difluoromethoxy)benzoyl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.00	6.41	-15.3	1	6	0	62	403.429	6	↓ MOL2 SDF SMILES Flexibase

14245984

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[4-(diethylsulfamoyl)benzoyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide 2-[4-[4-(diethylsulfamoyl)benzoy…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.20	5.99	-19.36	1	8	0	90	476.574	8	↓ MOL2 SDF SMILES Flexibase

14247274

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(4-isopropoxybenzoyl)piperazin-1-yl]-N-(p-tolyl)acetamide 2-[4-(4-isopropoxybenzoyl)pipera…

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)	3.21	7.78	-16.01	1	6	0	62	395.503	6	↓ MOL2 SDF SMILES Flexibase

14248926

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(4-butoxy-3-methoxy-benzoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide 2-[4-(4-butoxy-3-methoxy-benzoyl…

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)	3.21	7.93	-15.83	1	7	0	71	443.519	9	↓ MOL2 SDF SMILES Flexibase

69219299

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-benzoylpiperazin-1-yl)-N-(2-ethyl-6-methyl-phenyl)acetamide 2-(4-benzoylpiperazin-1-yl)-N-(2…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.30	8.42	-14.67	1	5	0	53	365.477	5	↓ MOL2 SDF SMILES Flexibase

69219378

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-benzoylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide 2-(4-benzoylpiperazin-1-yl)-N-[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)	2.94	5.91	-16.78	1	6	0	62	407.392	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.94	8.06	-56.41	2	6	1	63	408.4	6	↓ MOL2 SDF SMILES Flexibase

69219379

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-benzoylpiperazin-1-yl)-N-(4-tert-butylphenyl)acetamide 2-(4-benzoylpiperazin-1-yl)-N-(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)	3.67	8.46	-15.52	1	5	0	53	379.504	5	↓ MOL2 SDF SMILES Flexibase

69219397

Analogs

27890973

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-benzoylpiperazin-1-yl)-N-(4-ethylphenyl)acetamide 2-(4-benzoylpiperazin-1-yl)-N-(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)	2.88	7.59	-13.01	1	5	0	53	351.45	5	↓ MOL2 SDF SMILES Flexibase

69219400

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-benzoylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide 2-(4-benzoylpiperazin-1-yl)-N-[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)	2.86	7.21	-16.52	1	5	0	53	391.393	5	↓ MOL2 SDF SMILES Flexibase

69219406

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-benzoylpiperazin-1-yl)-N-(5-chloro-2-methoxy-phenyl)acetamide 2-(4-benzoylpiperazin-1-yl)-N-(5…

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)	2.63	6.08	-16.08	1	6	0	62	387.867	5	↓ MOL2 SDF SMILES Flexibase

69219449

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-benzoylpiperazin-1-yl)-N-[4-(difluoromethoxy)phenyl]acetamide 2-(4-benzoylpiperazin-1-yl)-N-[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)	2.58	5.78	-19.87	1	6	0	62	389.402	6	↓ MOL2 SDF SMILES Flexibase

54911850

Analogs

7406158

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-fluorophenyl)-2-[4-(4-methoxybenzoyl)piperazin-1-yl]acetamide N-(3-fluorophenyl)-2-[4-(4-metho…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.16	5.5	-18.19	1	6	0	62	371.412	5	↓ MOL2 SDF SMILES Flexibase

54911855

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(4-ethylbenzoyl)piperazin-1-yl]-N-(3-fluorophenyl)acetamide 2-[4-(4-ethylbenzoyl)piperazin-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)	3.02	7.72	-17.88	1	5	0	53	369.44	5	↓ MOL2 SDF SMILES Flexibase

54911856

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-chlorophenyl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide N-(2-chlorophenyl)-2-[4-(3-metho…

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)	2.63	6.05	-13.3	1	6	0	62	387.867	5	↓ MOL2 SDF SMILES Flexibase

54911857

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-chlorophenyl)-2-[4-(4-methoxybenzoyl)piperazin-1-yl]acetamide N-(2-chlorophenyl)-2-[4-(4-metho…

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)	2.65	6.07	-13.78	1	6	0	62	387.867	5	↓ MOL2 SDF SMILES Flexibase

54911860

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-chlorophenyl)-2-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]acetamide N-(2-chlorophenyl)-2-[4-(3,4-dim…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.42	7.98	-13.88	1	5	0	53	385.895	4	↓ MOL2 SDF SMILES Flexibase

54911877

Analogs

6434275

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide 2-[4-(3,4-dimethylbenzoyl)pipera…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.66	8.94	-12.64	1	5	0	53	379.504	4	↓ MOL2 SDF SMILES Flexibase

54911887

Analogs

8121292

Draw Identity 99% 90% 80% 70%

Popular Name: methyl 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)	2.30	6.89	-15.11	1	7	0	79	399.422	6	↓ MOL2 SDF SMILES Flexibase

54911890

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-ethylphenyl)-2-[4-(4-methoxybenzoyl)piperazin-1-yl]acetamide N-(2-ethylphenyl)-2-[4-(4-methox…

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)	2.89	7.13	-15.28	1	6	0	62	381.476	6	↓ MOL2 SDF SMILES Flexibase

54911892

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-ethylphenyl)-2-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide N-(2-ethylphenyl)-2-[4-[3-(trifl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.70	8.83	-16.94	1	5	0	53	419.447	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.70	10.99	-57.77	2	5	1	54	420.455	6	↓ MOL2 SDF SMILES Flexibase

54911897

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-ethylphenyl)-2-[4-(4-methylbenzoyl)piperazin-1-yl]acetamide N-(2-ethylphenyl)-2-[4-(4-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)	3.28	8.49	-15.13	1	5	0	53	365.477	5	↓ MOL2 SDF SMILES Flexibase

54911898

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-ethylphenyl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide N-(2-ethylphenyl)-2-[4-(3-methox…

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)	2.87	7.11	-17.76	1	6	0	62	381.476	6	↓ MOL2 SDF SMILES Flexibase

54911899

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide 2-[4-[3-(dimethylamino)benzoyl]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)	2.91	8.21	-16.24	1	6	0	56	394.519	6	↓ MOL2 SDF SMILES Flexibase

54911901

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(4-cyanobenzoyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide 2-[4-(4-cyanobenzoyl)piperazin-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)	2.59	8.21	-16.7	1	6	0	76	376.46	5	↓ MOL2 SDF SMILES Flexibase

54911903

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(4-ethoxybenzoyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide 2-[4-(4-ethoxybenzoyl)piperazin-…

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)	3.27	8.06	-15.01	1	6	0	62	395.503	7	↓ MOL2 SDF SMILES Flexibase

54911904

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide 2-[4-[4-(dimethylamino)benzoyl]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)	2.94	8.21	-16.02	1	6	0	56	394.519	6	↓ MOL2 SDF SMILES Flexibase

54911906

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-ethylphenyl)-2-[4-(2-methylbenzoyl)piperazin-1-yl]acetamide N-(2-ethylphenyl)-2-[4-(2-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)	3.23	8.48	-14.61	1	5	0	53	365.477	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 12754
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 = 12754 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=12754&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": "12754"        

    });
</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