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

45619970

Analogs

23558201

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,5-dichlorophenoxy)-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone 2-(2,5-dichlorophenoxy)-1-[4-[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)	5.00	13.18	-17.98	0	7	0	79	478.254	6	↓ MOL2 SDF SMILES Flexibase

52817412

Analogs

8028292

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-tert-butylphenoxy)-1-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone 2-(2-tert-butylphenoxy)-1-[4-(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)	4.11	9.09	-13.29	1	5	0	53	368.477	5	↓ MOL2 SDF SMILES Flexibase

18963635

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-ethoxy]benzonitrile 3-chloro-4-[2-[4-(4-fluorophenyl…

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)	3.46	10.42	-19.61	0	5	0	57	373.815	4	↓ MOL2 SDF SMILES Flexibase

18970705

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-iodophenoxy)ethanone 1-[4-(2-fluorophenyl)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)	4.13	11.02	-13.06	0	4	0	33	440.256	4	↓ MOL2 SDF SMILES Flexibase

18977382

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]-2-(4-methyl-2-nitro-phenoxy)ethanone 1-[4-(4-chloro-2-nitro-phenyl)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)	3.83	12.62	-26.81	0	10	0	124	434.836	6	↓ MOL2 SDF SMILES Flexibase

36333879

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-bromo-4-fluoro-phenoxy)-1-[4-(2-chlorophenyl)piperazin-1-yl]ethanone 2-(2-bromo-4-fluoro-phenoxy)-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)	4.47	11.32	-14.47	0	4	0	33	427.701	4	↓ MOL2 SDF SMILES Flexibase

22668718

Analogs

23305734

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-diethyl-4-methoxy-3-[4-(2-phenoxyacetyl)piperazin-1-yl]benzenesulfonamide N,N-diethyl-4-methoxy-3-[4-(2-ph…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.98	7.72	-18.68	0	8	0	79	461.584	9	↓ MOL2 SDF SMILES Flexibase

22699327

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-bromo-4-fluoro-phenoxy)-1-[4-(m-tolyl)piperazin-1-yl]ethanone 2-(2-bromo-4-fluoro-phenoxy)-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)	4.26	9.74	-14.75	0	4	0	33	407.283	4	↓ MOL2 SDF SMILES Flexibase

22707852

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-chlorophenoxy)-2-methyl-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one 2-(4-chlorophenoxy)-2-methyl-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)	5.20	12.06	-14.99	0	7	0	79	471.863	6	↓ MOL2 SDF SMILES Flexibase

13013848

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-ethoxy]-4-nitro-benzoic 3-[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	8.36	-47.02	0	10	-1	128	414.394	7	↓ MOL2 SDF SMILES Flexibase

13013902

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-ethoxy]phenoxy]acetic 2-[2-[2-[4-(4-methoxyphenyl)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)	1.85	7.82	-69.78	0	8	-1	91	399.423	8	↓ MOL2 SDF SMILES Flexibase

13014984

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-bromo-4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-ethoxy]benzoic 3-bromo-4-[2-[4-(4-methoxyphenyl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.64	7.85	-57.24	0	7	-1	82	448.293	6	↓ MOL2 SDF SMILES Flexibase

36869805

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-acetyl-5-methoxy-phenoxy)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone 2-(2-acetyl-5-methoxy-phenoxy)-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)	2.87	9.45	-23.03	0	7	0	68	398.459	7	↓ MOL2 SDF SMILES Flexibase

36869842

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-iodophenoxy)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone 2-(4-iodophenoxy)-1-[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)	4.07	9.82	-13.96	0	5	0	42	452.292	5	↓ MOL2 SDF SMILES Flexibase

23039107

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(2,4,5-trichlorophenoxy)ethanone 1-[4-(3-methoxyphenyl)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)	4.86	9.17	-13.07	0	5	0	42	429.731	5	↓ MOL2 SDF SMILES Flexibase

13410806

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-ethoxy]benzoic 2-[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)	2.94	7.71	-75.2	0	7	-1	82	369.397	6	↓ MOL2 SDF SMILES Flexibase

13410810

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-ethoxy]benzoic 2-[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)	3.04	8.49	-74.61	0	6	-1	73	357.361	5	↓ MOL2 SDF SMILES Flexibase

13411148

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxo-ethoxy]benzoic 2-[2-[4-(4-nitrophenyl)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)	2.84	9.1	-77.97	0	9	-1	119	384.368	6	↓ MOL2 SDF SMILES Flexibase

13411669

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxo-ethoxy]benzoic 2-[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)	2.99	8.75	-74.35	0	6	-1	73	357.361	5	↓ MOL2 SDF SMILES Flexibase

13411672

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-ethoxy]benzoic 2-[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)	3.53	8.93	-75.49	0	6	-1	73	373.816	5	↓ MOL2 SDF SMILES Flexibase

13411677

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]benzoic 2-[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)	3.75	9.43	-73.47	0	6	-1	73	407.368	6	↓ MOL2 SDF SMILES Flexibase

13411680

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxo-ethoxy]benzoic 2-[2-[4-(2,3-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)	3.68	10.39	-73.57	0	6	-1	73	367.425	5	↓ MOL2 SDF SMILES Flexibase

13411713

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxo-ethoxy]benzoic 2-[2-[4-(2-nitrophenyl)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)	2.79	10.41	-77.96	0	9	-1	119	384.368	6	↓ MOL2 SDF SMILES Flexibase

13412074

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[4-(m-tolyl)piperazin-1-yl]-2-oxo-ethoxy]benzoic 2-[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)	3.30	9.1	-74.2	0	6	-1	73	353.398	5	↓ MOL2 SDF SMILES Flexibase

13413327

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxo-ethoxy]benzoic 4-[2-[4-(4-nitrophenyl)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)	2.80	8.61	-60.82	0	9	-1	119	384.368	6	↓ MOL2 SDF SMILES Flexibase

13413857

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxo-ethoxy]benzoic 4-[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)	2.96	8.28	-56.53	0	6	-1	73	357.361	5	↓ MOL2 SDF SMILES Flexibase

13413860

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-ethoxy]benzoic 4-[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)	3.50	8.46	-56.04	0	6	-1	73	373.816	5	↓ MOL2 SDF SMILES Flexibase

13413866

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]benzoic 4-[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)	3.72	8.94	-56.74	0	6	-1	73	407.368	6	↓ MOL2 SDF SMILES Flexibase

13413869

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxo-ethoxy]benzoic 4-[2-[4-(2,3-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)	3.65	9.91	-55.54	0	6	-1	73	367.425	5	↓ MOL2 SDF SMILES Flexibase

13413902

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxo-ethoxy]benzoic 4-[2-[4-(2-nitrophenyl)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)	2.76	9.91	-60.6	0	9	-1	119	384.368	6	↓ MOL2 SDF SMILES Flexibase

13414305

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-[4-(m-tolyl)piperazin-1-yl]-2-oxo-ethoxy]benzoic 4-[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)	3.27	8.62	-55.99	0	6	-1	73	353.398	5	↓ MOL2 SDF SMILES Flexibase

13418681

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-ethoxy]benzoic 4-[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)	2.90	7.24	-57.4	0	7	-1	82	369.397	6	↓ MOL2 SDF SMILES Flexibase

13418682

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-ethoxy]benzoic 4-[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)	3.01	7.99	-56.88	0	6	-1	73	357.361	5	↓ MOL2 SDF SMILES Flexibase

13419063

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-ethoxy]benzoic 3-[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)	2.88	7.21	-65.39	0	7	-1	82	369.397	6	↓ MOL2 SDF SMILES Flexibase

13419064

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-ethoxy]benzoic 3-[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)	2.99	7.98	-65.08	0	6	-1	73	357.361	5	↓ MOL2 SDF SMILES Flexibase

13419159

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxo-ethoxy]benzoic 3-[2-[4-(4-nitrophenyl)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)	2.78	8.59	-69.08	0	9	-1	119	384.368	6	↓ MOL2 SDF SMILES Flexibase

13419326

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxo-ethoxy]benzoic 3-[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)	2.94	8.25	-64.39	0	6	-1	73	357.361	5	↓ MOL2 SDF SMILES Flexibase

13419327

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-ethoxy]benzoic 3-[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)	3.48	8.43	-65.45	0	6	-1	73	373.816	5	↓ MOL2 SDF SMILES Flexibase

13419329

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]benzoic 3-[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)	3.69	8.93	-64.28	0	6	-1	73	407.368	6	↓ MOL2 SDF SMILES Flexibase

13419330

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxo-ethoxy]benzoic 3-[2-[4-(2,3-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)	3.62	9.89	-63.5	0	6	-1	73	367.425	5	↓ MOL2 SDF SMILES Flexibase

13419341

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxo-ethoxy]benzoic 3-[2-[4-(2-nitrophenyl)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)	2.73	9.9	-68.39	0	9	-1	119	384.368	6	↓ MOL2 SDF SMILES Flexibase

13419455

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[4-(m-tolyl)piperazin-1-yl]-2-oxo-ethoxy]benzoic 3-[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)	3.25	8.6	-64.19	0	6	-1	73	353.398	5	↓ MOL2 SDF SMILES Flexibase

13420076

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methoxy-4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-ethoxy]benzoic 3-methoxy-4-[2-[4-(4-methoxyphen…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.49	6.97	-58.6	0	8	-1	91	399.423	7	↓ MOL2 SDF SMILES Flexibase

13420077

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-ethoxy]-3-methoxy-benzoic 4-[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)	2.60	7.75	-58.12	0	7	-1	82	387.387	6	↓ MOL2 SDF SMILES Flexibase

13420190

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methoxy-4-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxo-ethoxy]benzoic 3-methoxy-4-[2-[4-(4-nitrophenyl…

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)	2.39	8.36	-61.98	0	10	-1	128	414.394	7	↓ MOL2 SDF SMILES Flexibase

13420377

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxo-ethoxy]-3-methoxy-benzoic 4-[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)	2.55	8.01	-57.73	0	7	-1	82	387.387	6	↓ MOL2 SDF SMILES Flexibase

13420378

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-ethoxy]-3-methoxy-benzoic 4-[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)	3.09	8.2	-58.08	0	7	-1	82	403.842	6	↓ MOL2 SDF SMILES Flexibase

13420380

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methoxy-4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]benzoic 3-methoxy-4-[2-oxo-2-[4-[3-(trif…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.31	8.7	-57.88	0	7	-1	82	437.394	7	↓ MOL2 SDF SMILES Flexibase

13420381

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxo-ethoxy]-3-methoxy-benzoic 4-[2-[4-(2,3-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)	3.24	9.66	-56.86	0	7	-1	82	397.451	6	↓ MOL2 SDF SMILES Flexibase

13420391

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methoxy-4-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxo-ethoxy]benzoic 3-methoxy-4-[2-[4-(2-nitrophenyl…

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)	2.35	9.67	-61.83	0	10	-1	128	414.394	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 17354
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 = 17354 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=17354&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": "17354"        

    });
</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