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

7723144

Analogs

31309051

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-fluorophenyl)-1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-prop-2-en-1-one 3-(2-fluorophenyl)-1-[4-(2-fluor…

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	-2.12	-19.23	0	5	0	57	392.427	4	↓ MOL2 SDF SMILES Flexibase

7723160

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-ethoxyphenyl)-1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-prop-2-en-1-one 3-(2-ethoxyphenyl)-1-[4-(2-fluor…

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	-2.7	-18.75	0	6	0	66	418.49	6	↓ MOL2 SDF SMILES Flexibase

7723161

Analogs

31032695
31309051
6237310
6376070

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-3-(m-tolyl)prop-2-en-1-one 1-[4-(2-fluorophenyl)sulfonylpip…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.35	-2.5	-15.86	0	5	0	57	388.464	4	↓ MOL2 SDF SMILES Flexibase

7723162

Analogs

31032695

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]carbonylvinyl]benzonitrile 4-[2-[4-(2-fluorophenyl)sulfonyl…

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)	2.68	7.88	-19.32	0	6	0	81	399.447	4	↓ MOL2 SDF SMILES Flexibase

7723163

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-ethoxyphenyl)-1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-prop-2-en-1-one 3-(4-ethoxyphenyl)-1-[4-(2-fluor…

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)	3.36	-2.78	-15.63	0	6	0	66	418.49	6	↓ MOL2 SDF SMILES Flexibase

7723196

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3-fluorophenyl)-1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-prop-2-en-1-one 3-(3-fluorophenyl)-1-[4-(2-fluor…

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)	3.07	-2.09	-15.41	0	5	0	57	392.427	4	↓ MOL2 SDF SMILES Flexibase

7723198

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-3-(2-methoxyphenyl)-prop-2-en-1-one 1-[4-(2-fluorophenyl)sulfonylpip…

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	-2.71	-18.78	0	6	0	66	404.463	5	↓ MOL2 SDF SMILES Flexibase

7723229

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-(2-fluorophenyl)-prop-2-en-1-one 1-[4-(3,4-dimethylphenyl)sulfony…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.58	-2.08	-17.97	0	5	0	57	402.491	4	↓ MOL2 SDF SMILES Flexibase

40129618

Analogs

31309051

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-(2,6-difluorophenyl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one (E)-3-(2,6-difluorophenyl)-1-[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)	3.01	7.83	-16.72	0	5	0	58	410.417	4	↓ MOL2 SDF SMILES Flexibase

10969609

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-3-(3-fluorophenyl)-prop-2-en-1-one 1-[4-(3-acetylphenyl)sulfonylpip…

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)	2.83	-2.22	-19.15	0	6	0	75	416.474	5	↓ MOL2 SDF SMILES Flexibase

10969801

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-3-(3,4-dichlorophenyl)-prop-2-en-1-one 1-[4-(3-acetylphenyl)sulfonylpip…

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)	3.97	-3.24	-19.08	0	6	0	75	467.374	5	↓ MOL2 SDF SMILES Flexibase

23038292

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-(3-fluoro-4-methoxy-phenyl)prop-2-en-1-one (E)-1-[4-(3,4-dimethylphenyl)sul…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.79	8.4	-16.75	0	6	0	67	432.517	5	↓ MOL2 SDF SMILES Flexibase

13408376

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(E)-3-oxo-3-[4-(p-tolylsulfonyl)piperazin-1-yl]prop-1-enyl]benzoic 4-[(E)-3-oxo-3-[4-(p-tolylsulfon…

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)	3.17	7.92	-58.98	0	7	-1	98	413.475	5	↓ MOL2 SDF SMILES Flexibase

13408396

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(E)-3-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-oxo-prop-1-enyl]benzoic 4-[(E)-3-[4-(4-chlorophenyl)sulf…

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	7.76	-58.58	0	7	-1	98	433.893	5	↓ MOL2 SDF SMILES Flexibase

13408554

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(E)-3-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-3-oxo-prop-1-enyl]benzoic 4-[(E)-3-[4-(4-bromophenyl)sulfo…

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	7.87	-58.51	0	7	-1	98	478.344	5	↓ MOL2 SDF SMILES Flexibase

13408575

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(E)-3-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-3-oxo-prop-1-enyl]benzoic 4-[(E)-3-[4-(4-nitrophenyl)sulfo…

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)	2.68	7.92	-61.77	0	10	-1	144	444.445	6	↓ MOL2 SDF SMILES Flexibase

13408672

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(E)-3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-3-oxo-prop-1-enyl]benzoic 4-[(E)-3-[4-(4-methoxyphenyl)sul…

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	6.54	-59.69	0	8	-1	107	429.474	6	↓ MOL2 SDF SMILES Flexibase

13408735

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(E)-3-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-3-oxo-prop-1-enyl]benzoic 4-[(E)-3-[4-(2-nitrophenyl)sulfo…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.64	8.79	-70.77	0	10	-1	144	444.445	6	↓ MOL2 SDF SMILES Flexibase

13408756

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(E)-3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-3-oxo-prop-1-enyl]benzoic 4-[(E)-3-[4-(4-ethoxyphenyl)sulf…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.16	7.47	-59.43	0	8	-1	107	443.501	7	↓ MOL2 SDF SMILES Flexibase

13408779

Analogs

8061451

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(E)-3-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-oxo-prop-1-enyl]benzoic 4-[(E)-3-[4-(4-fluorophenyl)sulf…

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	7.31	-58.98	0	7	-1	98	417.438	5	↓ MOL2 SDF SMILES Flexibase

13408865

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(E)-3-oxo-3-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]prop-1-enyl]benzoic 4-[(E)-3-oxo-3-[4-(2,3,5,6-tetra…

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)	4.30	9.62	-57.78	0	7	-1	98	455.556	5	↓ MOL2 SDF SMILES Flexibase

13408932

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(E)-3-oxo-3-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]prop-1-enyl]benzoic 4-[(E)-3-oxo-3-[4-(2,4,6-trimeth…

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)	3.93	9.24	-57.72	0	7	-1	98	441.529	5	↓ MOL2 SDF SMILES Flexibase

13408948

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(E)-3-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-3-oxo-prop-1-enyl]benzoic 4-[(E)-3-[4-(2,5-dichlorophenyl)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.01	7.82	-58.06	0	7	-1	98	468.338	5	↓ MOL2 SDF SMILES Flexibase

13408970

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(E)-3-oxo-3-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]prop-1-enyl]benzoic 4-[(E)-3-oxo-3-[4-[3-(trifluorom…

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)	3.60	8.25	-60.01	0	7	-1	98	467.445	6	↓ MOL2 SDF SMILES Flexibase

13408989

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(E)-3-oxo-3-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]prop-1-enyl]benzoic 4-[(E)-3-oxo-3-[4-[2-(trifluorom…

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)	3.57	8.46	-63.58	0	7	-1	98	467.445	6	↓ MOL2 SDF SMILES Flexibase

13409007

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(E)-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-3-oxo-prop-1-enyl]benzoic 4-[(E)-3-[4-(2-fluorophenyl)sulf…

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	7.12	-60	0	7	-1	98	417.438	5	↓ MOL2 SDF SMILES Flexibase

13409057

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(E)-3-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-oxo-prop-1-enyl]benzoic 4-[(E)-3-[4-(3,4-dimethylphenyl)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.55	8.45	-59.09	0	7	-1	98	427.502	5	↓ MOL2 SDF SMILES Flexibase

13413569

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(E)-3-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-3-oxo-prop-1-enyl]benzoic 4-[(E)-3-[4-(2-bromophenyl)sulfo…

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)	3.49	7.61	-58.7	0	7	-1	98	478.344	5	↓ MOL2 SDF SMILES Flexibase

13415509

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(E)-3-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-3-oxo-prop-1-enyl]benzoic 4-[(E)-3-[4-(4-acetylphenyl)sulf…

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)	2.62	7.62	-62.6	0	8	-1	115	441.485	6	↓ MOL2 SDF SMILES Flexibase

15937858

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-(2-nitrophenyl)prop-2-en-1-one (E)-1-[4-(3,4-dimethylphenyl)sul…

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	9.38	-25.03	0	8	0	104	429.498	5	↓ MOL2 SDF SMILES Flexibase

15937865

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-(3-nitrophenyl)prop-2-en-1-one (E)-1-[4-(3,4-dimethylphenyl)sul…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.58	9.49	-21.95	0	8	0	104	429.498	5	↓ MOL2 SDF SMILES Flexibase

15937873

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[4-(difluoromethoxy)phenyl]-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one (E)-3-[4-(difluoromethoxy)phenyl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.25	8.42	-16.84	0	6	0	67	450.507	6	↓ MOL2 SDF SMILES Flexibase

54913877

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (Z)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-3-phenyl-but-2-en-1-one (Z)-1-[4-(2-nitrophenyl)sulfonyl…

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)	2.61	9.94	-24.97	0	8	0	104	415.471	5	↓ MOL2 SDF SMILES Flexibase

54987098

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (Z)-1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-3-phenyl-but-2-en-1-one (Z)-1-[4-(4-acetylphenyl)sulfony…

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	8.78	-17.4	0	6	0	75	412.511	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 5646
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 = 5646 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=5646&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": "5646"        

    });
</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