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

538979

Analogs

5184544
5215660

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-6-benzoxy-2-(2-furfurylidene)coumaran-3-one (2E)-6-benzoxy-2-(2-furfuryliden…

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)	4.12	3.13	-11.19	0	4	0	52	318.328	4	↓ MOL2 SDF SMILES Flexibase

539196

Analogs

5186050

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-6-(2-fluorobenzyl)oxy-2-(2-furfurylidene)coumaran-3-one (2E)-6-(2-fluorobenzyl)oxy-2-(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)	4.24	3.97	-10.84	0	4	0	52	336.318	4	↓ MOL2 SDF SMILES Flexibase

41500943

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-6-[(4-bromophenyl)methoxy]-2-(2-furylmethylene)-7-methyl-benzofuran-3-one (2Z)-6-[(4-bromophenyl)methoxy]-…

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)	5.30	11.88	-11.42	0	4	0	53	411.251	4	↓ MOL2 SDF SMILES Flexibase

41501023

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-6-[(4-bromophenyl)methoxy]-7-methyl-2-[(5-methyl-2-furyl)methylene]benzofuran-3-one (2Z)-6-[(4-bromophenyl)methoxy]-…

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)	5.53	12.7	-11.67	0	4	0	53	425.278	4	↓ MOL2 SDF SMILES Flexibase

41501138

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-6-[(4-bromophenyl)methoxy]-2-(2-furylmethylene)-4-methyl-benzofuran-3-one (2Z)-6-[(4-bromophenyl)methoxy]-…

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)	5.30	11.78	-10.64	0	4	0	53	411.251	4	↓ MOL2 SDF SMILES Flexibase

41501214

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-6-[(4-bromophenyl)methoxy]-4-methyl-2-[(5-methyl-2-furyl)methylene]benzofuran-3-one (2Z)-6-[(4-bromophenyl)methoxy]-…

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)	5.53	12.6	-10.79	0	4	0	53	425.278	4	↓ MOL2 SDF SMILES Flexibase

41501424

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-(2-furylmethylene)-7-methyl-6-[(4-nitrophenyl)methoxy]benzofuran-3-one (2Z)-2-(2-furylmethylene)-7-meth…

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)	4.46	11.97	-16.14	0	7	0	98	377.352	5	↓ MOL2 SDF SMILES Flexibase

41501507

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-7-methyl-2-[(5-methyl-2-furyl)methylene]-6-[(4-nitrophenyl)methoxy]benzofuran-3-one (2Z)-7-methyl-2-[(5-methyl-2-fur…

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)	4.68	12.79	-16.38	0	7	0	98	391.379	5	↓ MOL2 SDF SMILES Flexibase

41501630

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-(2-furylmethylene)-4-methyl-6-[(4-nitrophenyl)methoxy]benzofuran-3-one (2Z)-2-(2-furylmethylene)-4-meth…

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)	4.46	11.87	-14.99	0	7	0	98	377.352	5	↓ MOL2 SDF SMILES Flexibase

41501708

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-4-methyl-2-[(5-methyl-2-furyl)methylene]-6-[(4-nitrophenyl)methoxy]benzofuran-3-one (2Z)-4-methyl-2-[(5-methyl-2-fur…

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)	4.68	12.69	-15.08	0	7	0	98	391.379	5	↓ MOL2 SDF SMILES Flexibase

41501937

Analogs

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)	4.67	11.9	-15.12	0	6	0	79	390.391	6	↓ MOL2 SDF SMILES Flexibase

41502021

Analogs

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)	4.89	12.72	-15.38	0	6	0	79	404.418	6	↓ MOL2 SDF SMILES Flexibase

41502127

Analogs

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)	4.67	11.8	-14.21	0	6	0	79	390.391	6	↓ MOL2 SDF SMILES Flexibase

41502205

Analogs

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)	4.89	12.63	-14.32	0	6	0	79	404.418	6	↓ MOL2 SDF SMILES Flexibase

41503368

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-6-[(2-chloro-4-fluoro-phenyl)methoxy]-2-(2-furylmethylene)-7-methyl-benzofuran-3-one (2Z)-6-[(2-chloro-4-fluoro-pheny…

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)	5.26	11.9	-10.4	0	4	0	53	384.79	4	↓ MOL2 SDF SMILES Flexibase

41503452

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-6-[(2-chloro-4-fluoro-phenyl)methoxy]-7-methyl-2-[(5-methyl-2-furyl)methylene]benzofuran-3-one (2Z)-6-[(2-chloro-4-fluoro-pheny…

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)	5.49	12.72	-10.59	0	4	0	53	398.817	4	↓ MOL2 SDF SMILES Flexibase

41503559

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-6-[(2-chloro-4-fluoro-phenyl)methoxy]-2-(2-furylmethylene)-4-methyl-benzofuran-3-one (2Z)-6-[(2-chloro-4-fluoro-pheny…

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)	5.26	11.81	-10.07	0	4	0	53	384.79	4	↓ MOL2 SDF SMILES Flexibase

41503637

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-6-[(2-chloro-4-fluoro-phenyl)methoxy]-4-methyl-2-[(5-methyl-2-furyl)methylene]benzofuran-3-one (2Z)-6-[(2-chloro-4-fluoro-pheny…

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)	5.49	12.63	-10.21	0	4	0	53	398.817	4	↓ MOL2 SDF SMILES Flexibase

41503867

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-(2-furylmethylene)-6-[(3-methoxyphenyl)methoxy]-7-methyl-benzofuran-3-one (2Z)-2-(2-furylmethylene)-6-[(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)	4.53	10.55	-12.68	0	5	0	62	362.381	5	↓ MOL2 SDF SMILES Flexibase

41503954

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-6-[(3-methoxyphenyl)methoxy]-7-methyl-2-[(5-methyl-2-furyl)methylene]benzofuran-3-one (2Z)-6-[(3-methoxyphenyl)methoxy…

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)	4.75	11.37	-12.98	0	5	0	62	376.408	5	↓ MOL2 SDF SMILES Flexibase

41504068

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-(2-furylmethylene)-6-[(3-methoxyphenyl)methoxy]-4-methyl-benzofuran-3-one (2Z)-2-(2-furylmethylene)-6-[(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)	4.53	10.45	-12.08	0	5	0	62	362.381	5	↓ MOL2 SDF SMILES Flexibase

41504149

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-6-[(3-methoxyphenyl)methoxy]-4-methyl-2-[(5-methyl-2-furyl)methylene]benzofuran-3-one (2Z)-6-[(3-methoxyphenyl)methoxy…

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)	4.75	11.28	-12.25	0	5	0	62	376.408	5	↓ MOL2 SDF SMILES Flexibase

41504401

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-(2-furylmethylene)-7-methyl-6-[(4-vinylphenyl)methoxy]benzofuran-3-one (2Z)-2-(2-furylmethylene)-7-meth…

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)	5.35	12.34	-11.39	0	4	0	53	358.393	5	↓ MOL2 SDF SMILES Flexibase

41504485

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-7-methyl-2-[(5-methyl-2-furyl)methylene]-6-[(4-vinylphenyl)methoxy]benzofuran-3-one (2Z)-7-methyl-2-[(5-methyl-2-fur…

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)	5.57	13.16	-11.61	0	4	0	53	372.42	5	↓ MOL2 SDF SMILES Flexibase

41504611

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-(2-furylmethylene)-4-methyl-6-[(4-vinylphenyl)methoxy]benzofuran-3-one (2Z)-2-(2-furylmethylene)-4-meth…

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)	5.35	12.25	-10.78	0	4	0	53	358.393	5	↓ MOL2 SDF SMILES Flexibase

41504690

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-4-methyl-2-[(5-methyl-2-furyl)methylene]-6-[(4-vinylphenyl)methoxy]benzofuran-3-one (2Z)-4-methyl-2-[(5-methyl-2-fur…

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)	5.57	13.07	-10.86	0	4	0	53	372.42	5	↓ MOL2 SDF SMILES Flexibase

41505518

Analogs

41432753

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-(2-furylmethylene)-6-[(4-methoxyphenyl)methoxy]-7-methyl-benzofuran-3-one (2Z)-2-(2-furylmethylene)-6-[(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)	4.55	10.55	-12.53	0	5	0	62	362.381	5	↓ MOL2 SDF SMILES Flexibase

41505601

Analogs

41432795
41433293

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-6-[(4-methoxyphenyl)methoxy]-7-methyl-2-[(5-methyl-2-furyl)methylene]benzofuran-3-one (2Z)-6-[(4-methoxyphenyl)methoxy…

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)	4.77	11.37	-12.78	0	5	0	62	376.408	5	↓ MOL2 SDF SMILES Flexibase

41505709

Analogs

41432851

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-(2-furylmethylene)-6-[(4-methoxyphenyl)methoxy]-4-methyl-benzofuran-3-one (2Z)-2-(2-furylmethylene)-6-[(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)	4.55	10.46	-11.82	0	5	0	62	362.381	5	↓ MOL2 SDF SMILES Flexibase

41505790

Analogs

41432890
41433389

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-6-[(4-methoxyphenyl)methoxy]-4-methyl-2-[(5-methyl-2-furyl)methylene]benzofuran-3-one (2Z)-6-[(4-methoxyphenyl)methoxy…

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)	4.77	11.28	-12.03	0	5	0	62	376.408	5	↓ MOL2 SDF SMILES Flexibase

41506613

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-(2-furylmethylene)-6-[(2-methoxyphenyl)methoxy]-7-methyl-benzofuran-3-one (2Z)-2-(2-furylmethylene)-6-[(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)	4.50	10.71	-11.4	0	5	0	62	362.381	5	↓ MOL2 SDF SMILES Flexibase

41506698

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-6-[(2-methoxyphenyl)methoxy]-7-methyl-2-[(5-methyl-2-furyl)methylene]benzofuran-3-one (2Z)-6-[(2-methoxyphenyl)methoxy…

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)	4.73	11.53	-11.56	0	5	0	62	376.408	5	↓ MOL2 SDF SMILES Flexibase

41506813

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-(2-furylmethylene)-6-[(2-methoxyphenyl)methoxy]-4-methyl-benzofuran-3-one (2Z)-2-(2-furylmethylene)-6-[(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)	4.50	10.61	-11.33	0	5	0	62	362.381	5	↓ MOL2 SDF SMILES Flexibase

41506893

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-6-[(2-methoxyphenyl)methoxy]-4-methyl-2-[(5-methyl-2-furyl)methylene]benzofuran-3-one (2Z)-6-[(2-methoxyphenyl)methoxy…

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)	4.73	11.43	-11.54	0	5	0	62	376.408	5	↓ MOL2 SDF SMILES Flexibase

41507019

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-(2-furylmethylene)-6-[(2-methoxyphenyl)methoxy]benzofuran-3-one (2Z)-2-(2-furylmethylene)-6-[(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)	4.13	9.97	-11.31	0	5	0	62	348.354	5	↓ MOL2 SDF SMILES Flexibase

41507093

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-6-[(2-methoxyphenyl)methoxy]-2-[(5-methyl-2-furyl)methylene]benzofuran-3-one (2Z)-6-[(2-methoxyphenyl)methoxy…

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)	4.35	10.78	-11.51	0	5	0	62	362.381	5	↓ MOL2 SDF SMILES Flexibase

41508648

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-6-[(2,6-difluorophenyl)methoxy]-2-(2-furylmethylene)-7-methyl-benzofuran-3-one (2Z)-6-[(2,6-difluorophenyl)meth…

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)	4.73	11.31	-12.49	0	4	0	53	368.335	4	↓ MOL2 SDF SMILES Flexibase

41508732

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-6-[(2,6-difluorophenyl)methoxy]-7-methyl-2-[(5-methyl-2-furyl)methylene]benzofuran-3-one (2Z)-6-[(2,6-difluorophenyl)meth…

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)	4.95	12.13	-12.66	0	4	0	53	382.362	4	↓ MOL2 SDF SMILES Flexibase

41508859

Analogs

41435345

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-6-[(2,6-difluorophenyl)methoxy]-2-(2-furylmethylene)-4-methyl-benzofuran-3-one (2Z)-6-[(2,6-difluorophenyl)meth…

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)	4.73	11.21	-12.24	0	4	0	53	368.335	4	↓ MOL2 SDF SMILES Flexibase

41508935

Analogs

41435383

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-6-[(2,6-difluorophenyl)methoxy]-4-methyl-2-[(5-methyl-2-furyl)methylene]benzofuran-3-one (2Z)-6-[(2,6-difluorophenyl)meth…

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)	4.95	12.03	-12.49	0	4	0	53	382.362	4	↓ MOL2 SDF SMILES Flexibase

41509057

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-6-[(2,6-difluorophenyl)methoxy]-2-(2-furylmethylene)benzofuran-3-one (2Z)-6-[(2,6-difluorophenyl)meth…

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)	4.35	10.57	-12.43	0	4	0	53	354.308	4	↓ MOL2 SDF SMILES Flexibase

41509135

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-6-[(2,6-difluorophenyl)methoxy]-2-[(5-methyl-2-furyl)methylene]benzofuran-3-one (2Z)-6-[(2,6-difluorophenyl)meth…

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)	4.57	11.38	-12.71	0	4	0	53	368.335	4	↓ MOL2 SDF SMILES Flexibase

41509512

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-6-[(3-fluorophenyl)methoxy]-2-(2-furylmethylene)-7-methyl-benzofuran-3-one (2Z)-6-[(3-fluorophenyl)methoxy]…

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)	4.63	11.32	-12.2	0	4	0	53	350.345	4	↓ MOL2 SDF SMILES Flexibase

41509593

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-6-[(3-fluorophenyl)methoxy]-7-methyl-2-[(5-methyl-2-furyl)methylene]benzofuran-3-one (2Z)-6-[(3-fluorophenyl)methoxy]…

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	12.14	-12.46	0	4	0	53	364.372	4	↓ MOL2 SDF SMILES Flexibase

41509722

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-6-[(3-fluorophenyl)methoxy]-2-(2-furylmethylene)-4-methyl-benzofuran-3-one (2Z)-6-[(3-fluorophenyl)methoxy]…

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)	4.63	11.22	-11.47	0	4	0	53	350.345	4	↓ MOL2 SDF SMILES Flexibase

41509793

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-6-[(3-fluorophenyl)methoxy]-4-methyl-2-[(5-methyl-2-furyl)methylene]benzofuran-3-one (2Z)-6-[(3-fluorophenyl)methoxy]…

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	12.05	-11.6	0	4	0	53	364.372	4	↓ MOL2 SDF SMILES Flexibase

41509905

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-6-[(3-fluorophenyl)methoxy]-2-(2-furylmethylene)benzofuran-3-one (2Z)-6-[(3-fluorophenyl)methoxy]…

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	10.58	-12.28	0	4	0	53	336.318	4	↓ MOL2 SDF SMILES Flexibase

41509982

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-6-[(3-fluorophenyl)methoxy]-2-[(5-methyl-2-furyl)methylene]benzofuran-3-one (2Z)-6-[(3-fluorophenyl)methoxy]…

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)	4.48	11.39	-12.55	0	4	0	53	350.345	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 221105
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 = 221105 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=221105&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": "221105"        

    });
</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