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

30831655

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzeneacetamide, 4-[[3-bromo-4-[(tetrahydro-2-furanyl)methoxy]benzoyl]amino]-N,N-dimethyl- benzeneacetamide, 4-[[3-bromo-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)	3.08	8.79	-22.49	1	6	0	68	461.356	7	↓ MOL2 SDF SMILES Flexibase

30831657

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzeneacetamide, 4-[[3-bromo-4-[(tetrahydro-2-furanyl)methoxy]benzoyl]amino]-N,N-dimethyl- benzeneacetamide, 4-[[3-bromo-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)	3.08	8.74	-18.29	1	6	0	68	461.356	7	↓ MOL2 SDF SMILES Flexibase

30831713

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzeneacetamide, N,N-dimethyl-4-[[4-[(tetrahydro-2-furanyl)methoxy]benzoyl]amino]- benzeneacetamide, N,N-dimethyl-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)	2.35	7.98	-22.43	1	6	0	68	382.46	7	↓ MOL2 SDF SMILES Flexibase

30831715

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzeneacetamide, N,N-dimethyl-4-[[4-[(tetrahydro-2-furanyl)methoxy]benzoyl]amino]- benzeneacetamide, N,N-dimethyl-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)	2.35	8.03	-22.76	1	6	0	68	382.46	7	↓ MOL2 SDF SMILES Flexibase

20120127

Analogs

9925414
9925415
9925456
9925457

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3-bromo-N-[4-[(methylamino)carbonyl]phenyl]-4-[(tetrahydro-2-furanyl)methoxy]- benzamide, 3-bromo-N-[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)	3.19	6.09	-21.6	2	6	0	77	433.302	6	↓ MOL2 SDF SMILES Flexibase

20120128

Analogs

9925414
9925415
9925456
9925457

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3-bromo-N-[4-[(methylamino)carbonyl]phenyl]-4-[(tetrahydro-2-furanyl)methoxy]- benzamide, 3-bromo-N-[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)	3.19	6.04	-17.55	2	6	0	77	433.302	6	↓ MOL2 SDF SMILES Flexibase

36147703

Analogs

36147706

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(dimethylsulfamoyl)phenyl]-4-[[(2S)-tetrahydrofuran-2-yl]methoxy]benzamide N-[3-(dimethylsulfamoyl)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)	2.55	5.17	-15.25	1	7	0	85	404.488	7	↓ MOL2 SDF SMILES Flexibase

36147706

Analogs

36147703

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(dimethylsulfamoyl)phenyl]-4-[[(2R)-tetrahydrofuran-2-yl]methoxy]benzamide N-[3-(dimethylsulfamoyl)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)	2.55	5.08	-15.25	1	7	0	85	404.488	7	↓ MOL2 SDF SMILES Flexibase

23039587

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-bromo-2-fluoro-phenyl)-4-[[(2S)-tetrahydrofuran-2-yl]methoxy]benzamide N-(4-bromo-2-fluoro-phenyl)-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)	4.16	7.76	-10.3	1	4	0	48	394.24	5	↓ MOL2 SDF SMILES Flexibase

23039588

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-bromo-2-fluoro-phenyl)-4-[[(2R)-tetrahydrofuran-2-yl]methoxy]benzamide N-(4-bromo-2-fluoro-phenyl)-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)	4.16	7.82	-9.51	1	4	0	48	394.24	5	↓ MOL2 SDF SMILES Flexibase

14553074

Analogs

14553075

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3-bromo-N-(3-bromophenyl)-4-[(tetrahydro-2-furanyl)methoxy]- benzamide, 3-bromo-N-(3-bromophe…

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)	4.78	8.48	-15.86	1	4	0	48	455.146	5	↓ MOL2 SDF SMILES Flexibase

14553075

Analogs

14553074

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3-bromo-N-(3-bromophenyl)-4-[(tetrahydro-2-furanyl)methoxy]- benzamide, 3-bromo-N-(3-bromophe…

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)	4.78	8.4	-15.65	1	4	0	48	455.146	5	↓ MOL2 SDF SMILES Flexibase

14553091

Analogs

14553092
26156368
26156376

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-(3-bromophenyl)-4-[(tetrahydro-2-furanyl)methoxy]- benzamide, N-(3-bromophenyl)-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)	4.04	7.65	-13.52	1	4	0	48	376.25	5	↓ MOL2 SDF SMILES Flexibase

14553092

Analogs

26156368
26156376
14553091

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-(3-bromophenyl)-4-[(tetrahydro-2-furanyl)methoxy]- benzamide, N-(3-bromophenyl)-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)	4.04	7.72	-12.43	1	4	0	48	376.25	5	↓ MOL2 SDF SMILES Flexibase

14553981

Analogs

14553983
14836834
14836835

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3-bromo-N-[4-[[(1-methylethyl)amino]carbonyl]phenyl]-4-[(tetrahydro-2-furanyl)methoxy]- benzamide, 3-bromo-N-[4-[[(1-met…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.86	7.81	-17.75	2	6	0	77	461.356	7	↓ MOL2 SDF SMILES Flexibase

14553983

Analogs

14836834
14836835
14553981

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3-bromo-N-[4-[[(1-methylethyl)amino]carbonyl]phenyl]-4-[(tetrahydro-2-furanyl)methoxy]- benzamide, 3-bromo-N-[4-[[(1-met…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.86	7.74	-14.46	2	6	0	77	461.356	7	↓ MOL2 SDF SMILES Flexibase

14554043

Analogs

14554045
13619538
13619539

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[4-[[(1-methylethyl)amino]carbonyl]phenyl]-4-[(tetrahydro-2-furanyl)methoxy]- benzamide, N-[4-[[(1-methylethyl…

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	6.99	-19.64	2	6	0	77	382.46	7	↓ MOL2 SDF SMILES Flexibase

14554045

Analogs

14554043
13619538

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[4-[[(1-methylethyl)amino]carbonyl]phenyl]-4-[(tetrahydro-2-furanyl)methoxy]- benzamide, N-[4-[[(1-methylethyl…

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	7.05	-20.11	2	6	0	77	382.46	7	↓ MOL2 SDF SMILES Flexibase

14557641

Analogs

14557646

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3-bromo-N-[3-[[(3-methoxypropyl)amino]carbonyl]phenyl]-4-[(tetrahydro-2-furanyl)methoxy]- benzamide, 3-bromo-N-[3-[[(3-met…

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	6.8	-25.54	2	7	0	86	491.382	10	↓ MOL2 SDF SMILES Flexibase

14557646

Analogs

14557641

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3-bromo-N-[3-[[(3-methoxypropyl)amino]carbonyl]phenyl]-4-[(tetrahydro-2-furanyl)methoxy]- benzamide, 3-bromo-N-[3-[[(3-met…

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	6.74	-25.34	2	7	0	86	491.382	10	↓ MOL2 SDF SMILES Flexibase

14557736

Analogs

14557739

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-(3-methoxypropyl)-3-[[4-[(tetrahydro-2-furanyl)methoxy]benzoyl]amino]- benzamide, N-(3-methoxypropyl)-3…

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	5.98	-23.25	2	7	0	86	412.486	10	↓ MOL2 SDF SMILES Flexibase

14557739

Analogs

14557736

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-(3-methoxypropyl)-3-[[4-[(tetrahydro-2-furanyl)methoxy]benzoyl]amino]- benzamide, N-(3-methoxypropyl)-3…

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	6.05	-21.91	2	7	0	86	412.486	10	↓ MOL2 SDF SMILES Flexibase

14558151

Analogs

14558155
14563809
14563812
13630714
13630715

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[3-(aminocarbonyl)phenyl]-3-bromo-4-[(tetrahydro-2-furanyl)methoxy]- benzamide, N-[3-(aminocarbonyl)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)	2.79	4.65	-25.76	3	6	0	91	419.275	6	↓ MOL2 SDF SMILES Flexibase

14558155

Analogs

14563809
14563812
14558151
13630714
13630715

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[3-(aminocarbonyl)phenyl]-3-bromo-4-[(tetrahydro-2-furanyl)methoxy]- benzamide, N-[3-(aminocarbonyl)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)	2.79	4.57	-25.47	3	6	0	91	419.275	6	↓ MOL2 SDF SMILES Flexibase

14558238

Analogs

14558241
14563873
14563875
31920462
31920464

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3-[[4-[(tetrahydro-2-furanyl)methoxy]benzoyl]amino]- benzamide, 3-[[4-[(tetrahydro-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)	2.05	3.82	-23.52	3	6	0	91	340.379	6	↓ MOL2 SDF SMILES Flexibase

14558241

Analogs

14563873
14563875
14558238
13630744
13630745

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3-[[4-[(tetrahydro-2-furanyl)methoxy]benzoyl]amino]- benzamide, 3-[[4-[(tetrahydro-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)	2.05	3.89	-23.66	3	6	0	91	340.379	6	↓ MOL2 SDF SMILES Flexibase

14559472

Analogs

14559475

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3-bromo-N-[3-[(1-oxohexyl)amino]phenyl]-4-[(tetrahydro-2-furanyl)methoxy]- benzamide, 3-bromo-N-[3-[(1-oxoh…

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)	5.60	9.91	-14.95	2	6	0	77	489.41	10	↓ MOL2 SDF SMILES Flexibase

14559475

Analogs

14559472

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3-bromo-N-[3-[(1-oxohexyl)amino]phenyl]-4-[(tetrahydro-2-furanyl)methoxy]- benzamide, 3-bromo-N-[3-[(1-oxoh…

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)	5.60	9.83	-14.94	2	6	0	77	489.41	10	↓ MOL2 SDF SMILES Flexibase

14559536

Analogs

14559540

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[3-[(1-oxohexyl)amino]phenyl]-4-[(tetrahydro-2-furanyl)methoxy]- benzamide, N-[3-[(1-oxohexyl)ami…

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	9.07	-15.62	2	6	0	77	410.514	10	↓ MOL2 SDF SMILES Flexibase

14559540

Analogs

14559536

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[3-[(1-oxohexyl)amino]phenyl]-4-[(tetrahydro-2-furanyl)methoxy]- benzamide, N-[3-[(1-oxohexyl)ami…

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	9.14	-15.93	2	6	0	77	410.514	10	↓ MOL2 SDF SMILES Flexibase

14561105

Analogs

14561108

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3-bromo-N-[3-[(dipropylamino)carbonyl]phenyl]-4-[(tetrahydro-2-furanyl)methoxy]- benzamide, 3-bromo-N-[3-[(diprop…

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)	4.70	11.07	-19.74	1	6	0	68	503.437	10	↓ MOL2 SDF SMILES Flexibase

14561108

Analogs

14561105

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3-bromo-N-[3-[(dipropylamino)carbonyl]phenyl]-4-[(tetrahydro-2-furanyl)methoxy]- benzamide, 3-bromo-N-[3-[(diprop…

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)	4.70	10.99	-19.76	1	6	0	68	503.437	10	↓ MOL2 SDF SMILES Flexibase

14561148

Analogs

14561149

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N,N-dipropyl-3-[[4-[(tetrahydro-2-furanyl)methoxy]benzoyl]amino]- benzamide, N,N-dipropyl-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)	3.96	10.23	-21.27	1	6	0	68	424.541	10	↓ MOL2 SDF SMILES Flexibase

14561149

Analogs

14561148

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N,N-dipropyl-3-[[4-[(tetrahydro-2-furanyl)methoxy]benzoyl]amino]- benzamide, N,N-dipropyl-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)	3.96	10.08	-24.33	1	6	0	68	424.541	10	↓ MOL2 SDF SMILES Flexibase

55562223

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-isobutyl-4-[[4-[[(2S)-tetrahydrofuran-2-yl]methoxy]benzoyl]amino]benzamide N-isobutyl-4-[[4-[[(2S)-tetrahyd…

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	7.83	-14.44	2	6	0	77	396.487	8	↓ MOL2 SDF SMILES Flexibase

55562224

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-isobutyl-4-[[4-[[(2R)-tetrahydrofuran-2-yl]methoxy]benzoyl]amino]benzamide N-isobutyl-4-[[4-[[(2R)-tetrahyd…

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	7.74	-14.54	2	6	0	77	396.487	8	↓ MOL2 SDF SMILES Flexibase

66141460

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-(4-amino-2-methoxyphenyl)-4-[(tetrahydro-2-furanyl)methoxy]- benzamide, N-(4-amino-2-methoxyp…

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)	2.32	4.48	-12.06	3	6	0	83	342.395	6	↓ MOL2 SDF SMILES Flexibase

66141461

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-(4-amino-2-methoxyphenyl)-4-[(tetrahydro-2-furanyl)methoxy]- benzamide, N-(4-amino-2-methoxyp…

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)	2.32	4.39	-12.05	3	6	0	83	342.395	6	↓ MOL2 SDF SMILES Flexibase

66145873

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzoic acid, 4-[[4-[(tetrahydro-2-furanyl)methoxy]benzoyl]amino]- benzoic acid, 4-[[4-[(tetrahydro…

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	7.73	-56.77	1	6	-1	88	340.355	6	↓ MOL2 SDF SMILES Flexibase

66145875

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzoic acid, 4-[[4-[(tetrahydro-2-furanyl)methoxy]benzoyl]amino]- benzoic acid, 4-[[4-[(tetrahydro…

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	7.64	-56.74	1	6	-1	88	340.355	6	↓ MOL2 SDF SMILES Flexibase

66146024

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzoic acid, 3-[[4-[(tetrahydro-2-furanyl)methoxy]benzoyl]amino]- benzoic acid, 3-[[4-[(tetrahydro…

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)	3.15	7.75	-66.18	1	6	-1	88	340.355	6	↓ MOL2 SDF SMILES Flexibase

66146026

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzoic acid, 3-[[4-[(tetrahydro-2-furanyl)methoxy]benzoyl]amino]- benzoic acid, 3-[[4-[(tetrahydro…

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)	3.15	7.67	-65.95	1	6	-1	88	340.355	6	↓ MOL2 SDF SMILES Flexibase

66146219

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzoic acid, 2-[[4-[(tetrahydro-2-furanyl)methoxy]benzoyl]amino]- benzoic acid, 2-[[4-[(tetrahydro…

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	8.11	-50.75	1	6	-1	88	340.355	6	↓ MOL2 SDF SMILES Flexibase

66146221

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzoic acid, 2-[[4-[(tetrahydro-2-furanyl)methoxy]benzoyl]amino]- benzoic acid, 2-[[4-[(tetrahydro…

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	8.02	-51.07	1	6	-1	88	340.355	6	↓ MOL2 SDF SMILES Flexibase

66185160

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[3-(acetylamino)-4-methylphenyl]-3-bromo-4-[(tetrahydro-2-furanyl)methoxy]- benzamide, N-[3-(acetylamino)-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)	3.59	7.64	-17.36	2	6	0	77	447.329	6	↓ MOL2 SDF SMILES Flexibase

66185161

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[3-(acetylamino)-4-methylphenyl]-3-bromo-4-[(tetrahydro-2-furanyl)methoxy]- benzamide, N-[3-(acetylamino)-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)	3.59	7.56	-17.43	2	6	0	77	447.329	6	↓ MOL2 SDF SMILES Flexibase

66197407

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzenepropanamide, 4-[[3-bromo-4-[(tetrahydro-2-furanyl)methoxy]benzoyl]amino]-N-methyl- benzenepropanamide, 4-[[3-bromo-…

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)	3.80	7.62	-20.52	2	6	0	77	461.356	8	↓ MOL2 SDF SMILES Flexibase

66197408

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzenepropanamide, 4-[[3-bromo-4-[(tetrahydro-2-furanyl)methoxy]benzoyl]amino]-N-methyl- benzenepropanamide, 4-[[3-bromo-…

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)	3.80	7.53	-20.57	2	6	0	77	461.356	8	↓ MOL2 SDF SMILES Flexibase

66197442

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzenepropanamide, N-methyl-4-[[4-[(tetrahydro-2-furanyl)methoxy]benzoyl]amino]- benzenepropanamide, N-methyl-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)	3.06	6.96	-17.19	2	6	0	77	382.46	8	↓ MOL2 SDF SMILES Flexibase

66197443

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzenepropanamide, N-methyl-4-[[4-[(tetrahydro-2-furanyl)methoxy]benzoyl]amino]- benzenepropanamide, N-methyl-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)	3.06	6.87	-17.22	2	6	0	77	382.46	8	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 11932
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 = 11932 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=11932&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": "11932"        

    });
</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