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

41645157

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-4-methyl-8-(p-tolylmethyl)-2-(2-thienylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-4-methyl-8-(p-tolylmethyl)-…

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)	4.97	9.89	-8.59	0	4	0	43	403.503	3	↓ MOL2 SDF SMILES Flexibase

41645163

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[(2-chlorophenyl)methyl]-4-methyl-2-(2-thienylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazi (2Z)-8-[(2-chlorophenyl)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)	5.15	9.85	-9.61	0	4	0	43	423.921	3	↓ MOL2 SDF SMILES Flexibase

41645169

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[(4-fluorophenyl)methyl]-4-methyl-2-(2-thienylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazi (2Z)-8-[(4-fluorophenyl)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)	4.68	9.3	-9.95	0	4	0	43	407.466	3	↓ MOL2 SDF SMILES Flexibase

41645171

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[(4-chlorophenyl)methyl]-4-methyl-2-(2-thienylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazi (2Z)-8-[(4-chlorophenyl)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)	5.20	9.75	-9.32	0	4	0	43	423.921	3	↓ MOL2 SDF SMILES Flexibase

41645174

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[(3,4-dimethoxyphenyl)methyl]-4-methyl-2-(2-thienylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benz (2Z)-8-[(3,4-dimethoxyphenyl)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)	4.17	8.42	-12.68	0	6	0	61	449.528	5	↓ MOL2 SDF SMILES Flexibase

41645184

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[(2,4-dichlorophenyl)methyl]-4-methyl-2-(2-thienylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzo (2Z)-8-[(2,4-dichlorophenyl)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)	5.81	10.36	-9.93	0	4	0	43	458.366	3	↓ MOL2 SDF SMILES Flexibase

41645187

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[(3,4-dichlorophenyl)methyl]-4-methyl-2-(2-thienylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzo (2Z)-8-[(3,4-dichlorophenyl)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)	5.81	10.2	-9.88	0	4	0	43	458.366	3	↓ MOL2 SDF SMILES Flexibase

41645194

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-4-methyl-8-[(1S)-1-phenylethyl]-2-(2-thienylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3- (2Z)-4-methyl-8-[(1S)-1-phenylet…

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)	5.08	10.28	-7.76	0	4	0	43	403.503	3	↓ MOL2 SDF SMILES Flexibase

41645197

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-4-methyl-8-[(1R)-1-phenylethyl]-2-(2-thienylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3- (2Z)-4-methyl-8-[(1R)-1-phenylet…

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)	5.08	10.13	-8.54	0	4	0	43	403.503	3	↓ MOL2 SDF SMILES Flexibase

41645227

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-benzyl-4-methyl-2-(2-thienylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-benzyl-4-methyl-2-(2-thie…

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)	4.52	9.23	-8.62	0	4	0	43	389.476	3	↓ MOL2 SDF SMILES Flexibase

41645257

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[(4-methoxyphenyl)methyl]-4-methyl-2-(2-thienylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxaz (2Z)-8-[(4-methoxyphenyl)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)	4.58	8.52	-10.33	0	5	0	52	419.502	4	↓ MOL2 SDF SMILES Flexibase

41645263

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[(2-methoxyphenyl)methyl]-4-methyl-2-(2-thienylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxaz (2Z)-8-[(2-methoxyphenyl)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)	4.53	8.67	-9.95	0	5	0	52	419.502	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.53	11.55	-43.55	1	5	1	53	420.51	4	↓ MOL2 SDF SMILES Flexibase

41649872

Analogs

13690984
9422861

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-4-methyl-2-[(3-methyl-2-thienyl)methylene]-8-(p-tolylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxa (2Z)-4-methyl-2-[(3-methyl-2-thi…

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	10.5	-8.71	0	4	0	43	417.53	3	↓ MOL2 SDF SMILES Flexibase

41649885

Analogs

13690984
9422861
13718957

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[(2-chlorophenyl)methyl]-4-methyl-2-[(3-methyl-2-thienyl)methylene]-7,9-dihydrofuro[2,3-f][1, (2Z)-8-[(2-chlorophenyl)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)	5.53	10.45	-9.66	0	4	0	43	437.948	3	↓ MOL2 SDF SMILES Flexibase

41649897

Analogs

13690984
9422861
13718957

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[(4-fluorophenyl)methyl]-4-methyl-2-[(3-methyl-2-thienyl)methylene]-7,9-dihydrofuro[2,3-f][1, (2Z)-8-[(4-fluorophenyl)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)	5.06	9.91	-10.05	0	4	0	43	421.493	3	↓ MOL2 SDF SMILES Flexibase

41649902

Analogs

13718962
13718957

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[(4-chlorophenyl)methyl]-4-methyl-2-[(3-methyl-2-thienyl)methylene]-7,9-dihydrofuro[2,3-f][1, (2Z)-8-[(4-chlorophenyl)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)	5.58	10.36	-9.31	0	4	0	43	437.948	3	↓ MOL2 SDF SMILES Flexibase

41649906

Analogs

13690984

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[(3,4-dimethoxyphenyl)methyl]-4-methyl-2-[(3-methyl-2-thienyl)methylene]-7,9-dihydrofuro[2,3- (2Z)-8-[(3,4-dimethoxyphenyl)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)	4.54	9.02	-12.73	0	6	0	61	463.555	5	↓ MOL2 SDF SMILES Flexibase

41649931

Analogs

13718962
13718957

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[(2,4-dichlorophenyl)methyl]-4-methyl-2-[(3-methyl-2-thienyl)methylene]-7,9-dihydrofuro[2,3-f (2Z)-8-[(2,4-dichlorophenyl)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)	6.18	10.96	-10.02	0	4	0	43	472.393	3	↓ MOL2 SDF SMILES Flexibase

41649936

Analogs

9422861
13718957

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[(3,4-dichlorophenyl)methyl]-4-methyl-2-[(3-methyl-2-thienyl)methylene]-7,9-dihydrofuro[2,3-f (2Z)-8-[(3,4-dichlorophenyl)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)	6.18	10.81	-9.94	0	4	0	43	472.393	3	↓ MOL2 SDF SMILES Flexibase

41649954

Analogs

13690984
9422861
13718962

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-4-methyl-2-[(3-methyl-2-thienyl)methylene]-8-[(1S)-1-phenylethyl]-7,9-dihydrofuro[2,3-f][1,3]be (2Z)-4-methyl-2-[(3-methyl-2-thi…

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)	5.46	10.89	-7.77	0	4	0	43	417.53	3	↓ MOL2 SDF SMILES Flexibase

41649957

Analogs

13690984
9422861
13718962

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-4-methyl-2-[(3-methyl-2-thienyl)methylene]-8-[(1R)-1-phenylethyl]-7,9-dihydrofuro[2,3-f][1,3]be (2Z)-4-methyl-2-[(3-methyl-2-thi…

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)	5.46	10.75	-8.63	0	4	0	43	417.53	3	↓ MOL2 SDF SMILES Flexibase

41650012

Analogs

13690984
9422861

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-benzyl-4-methyl-2-[(3-methyl-2-thienyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-benzyl-4-methyl-2-[(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)	4.90	9.84	-8.64	0	4	0	43	403.503	3	↓ MOL2 SDF SMILES Flexibase

41650063

Analogs

13690984
9422861

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[(4-methoxyphenyl)methyl]-4-methyl-2-[(3-methyl-2-thienyl)methylene]-7,9-dihydrofuro[2,3-f][1 (2Z)-8-[(4-methoxyphenyl)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)	4.96	9.13	-10.45	0	5	0	52	433.529	4	↓ MOL2 SDF SMILES Flexibase

41650075

Analogs

13690984
9422861

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[(2-methoxyphenyl)methyl]-4-methyl-2-[(3-methyl-2-thienyl)methylene]-7,9-dihydrofuro[2,3-f][1 (2Z)-8-[(2-methoxyphenyl)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)	4.91	9.27	-9.98	0	5	0	52	433.529	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.91	12.16	-43.41	1	5	1	53	434.537	4	↓ MOL2 SDF SMILES Flexibase

41653889

Analogs

13690984
13722960
22935387

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-(p-tolylmethyl)-2-(2-thienylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-(p-tolylmethyl)-2-(2-thie…

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)	4.59	9.24	-8.63	0	4	0	43	389.476	3	↓ MOL2 SDF SMILES Flexibase

41653901

Analogs

13690984
13722960
20650604

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[(2-chlorophenyl)methyl]-2-(2-thienylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-[(2-chlorophenyl)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)	4.78	9.22	-9.69	0	4	0	43	409.894	3	↓ MOL2 SDF SMILES Flexibase

41653912

Analogs

13690984
13722960
20650604

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[(4-fluorophenyl)methyl]-2-(2-thienylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-[(4-fluorophenyl)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)	4.31	8.66	-10.04	0	4	0	43	393.439	3	↓ MOL2 SDF SMILES Flexibase

41653917

Analogs

13690984
13722960
22935387

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[(4-chlorophenyl)methyl]-2-(2-thienylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-[(4-chlorophenyl)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)	4.82	9.11	-9.39	0	4	0	43	409.894	3	↓ MOL2 SDF SMILES Flexibase

41653935

Analogs

13690984
13722960
22935387

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[(2,4-dichlorophenyl)methyl]-2-(2-thienylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-o (2Z)-8-[(2,4-dichlorophenyl)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)	5.43	9.71	-10.05	0	4	0	43	444.339	3	↓ MOL2 SDF SMILES Flexibase

41653940

Analogs

13722960
13690984
20650604

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[(3,4-dichlorophenyl)methyl]-2-(2-thienylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-o (2Z)-8-[(3,4-dichlorophenyl)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)	5.43	9.56	-10.04	0	4	0	43	444.339	3	↓ MOL2 SDF SMILES Flexibase

41653959

Analogs

13690984
13722960
22935387

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[(1S)-1-phenylethyl]-2-(2-thienylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-[(1S)-1-phenylethyl]-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)	4.70	9.63	-7.77	0	4	0	43	389.476	3	↓ MOL2 SDF SMILES Flexibase

41653965

Analogs

13690984
13722960
22935387

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[(1R)-1-phenylethyl]-2-(2-thienylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-[(1R)-1-phenylethyl]-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)	4.70	9.49	-8.53	0	4	0	43	389.476	3	↓ MOL2 SDF SMILES Flexibase

41654025

Analogs

13690984
13722960
22935387

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-benzyl-2-(2-thienylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-benzyl-2-(2-thienylmethyl…

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)	4.14	8.58	-8.66	0	4	0	43	375.449	3	↓ MOL2 SDF SMILES Flexibase

41654043

Analogs

13690984
13722960
22935387

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[(4-methoxyphenyl)methyl]-2-(2-thienylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-[(4-methoxyphenyl)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)	4.20	7.87	-10.42	0	5	0	52	405.475	4	↓ MOL2 SDF SMILES Flexibase

41654053

Analogs

13690984
13722960
22935387

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[(2-methoxyphenyl)methyl]-2-(2-thienylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-[(2-methoxyphenyl)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)	4.15	8.04	-9.98	0	5	0	52	405.475	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.15	10.92	-43.73	1	5	1	53	406.483	4	↓ MOL2 SDF SMILES Flexibase

41660998

Analogs

13690984
13722960
9048791

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(3-methyl-2-thienyl)methylene]-8-(p-tolylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-2-[(3-methyl-2-thienyl)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)	4.97	9.85	-8.7	0	4	0	43	403.503	3	↓ MOL2 SDF SMILES Flexibase

41661013

Analogs

13690984
13722960
9422861

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[(2-chlorophenyl)methyl]-2-[(3-methyl-2-thienyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzoxa (2Z)-8-[(2-chlorophenyl)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)	5.15	9.81	-9.72	0	4	0	43	423.921	3	↓ MOL2 SDF SMILES Flexibase

41661026

Analogs

13690984
13722960
20650604

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[(4-fluorophenyl)methyl]-2-[(3-methyl-2-thienyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzoxa (2Z)-8-[(4-fluorophenyl)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)	4.68	9.26	-10.03	0	4	0	43	407.466	3	↓ MOL2 SDF SMILES Flexibase

41661033

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[(4-chlorophenyl)methyl]-2-[(3-methyl-2-thienyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzoxa (2Z)-8-[(4-chlorophenyl)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)	5.20	9.71	-9.44	0	4	0	43	423.921	3	↓ MOL2 SDF SMILES Flexibase

41661039

Analogs

13690984
9422861
13722960

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[(3,4-dimethoxyphenyl)methyl]-2-[(3-methyl-2-thienyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]be (2Z)-8-[(3,4-dimethoxyphenyl)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)	4.17	8.37	-12.82	0	6	0	61	449.528	5	↓ MOL2 SDF SMILES Flexibase

41661062

Analogs

13718962
13718957

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[(2,4-dichlorophenyl)methyl]-2-[(3-methyl-2-thienyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]ben (2Z)-8-[(2,4-dichlorophenyl)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)	5.81	10.32	-10.11	0	4	0	43	458.366	3	↓ MOL2 SDF SMILES Flexibase

41661068

Analogs

13722960
13690984
9422861

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[(3,4-dichlorophenyl)methyl]-2-[(3-methyl-2-thienyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]ben (2Z)-8-[(3,4-dichlorophenyl)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)	5.81	10.16	-10.03	0	4	0	43	458.366	3	↓ MOL2 SDF SMILES Flexibase

41661085

Analogs

13690984
13722960
9048791

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(3-methyl-2-thienyl)methylene]-8-[(1S)-1-phenylethyl]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin- (2Z)-2-[(3-methyl-2-thienyl)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)	5.08	10.24	-7.9	0	4	0	43	403.503	3	↓ MOL2 SDF SMILES Flexibase

41661092

Analogs

13690984
13722960
9048791

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(3-methyl-2-thienyl)methylene]-8-[(1R)-1-phenylethyl]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin- (2Z)-2-[(3-methyl-2-thienyl)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)	5.08	10.09	-8.68	0	4	0	43	403.503	3	↓ MOL2 SDF SMILES Flexibase

41661151

Analogs

13690984
13722960
9048791

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-benzyl-2-[(3-methyl-2-thienyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-benzyl-2-[(3-methyl-2-thi…

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)	4.52	9.19	-8.78	0	4	0	43	389.476	3	↓ MOL2 SDF SMILES Flexibase

41661194

Analogs

13690984
13722960
9048791

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[(4-methoxyphenyl)methyl]-2-[(3-methyl-2-thienyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzox (2Z)-8-[(4-methoxyphenyl)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)	4.58	8.48	-10.57	0	5	0	52	419.502	4	↓ MOL2 SDF SMILES Flexibase

41661210

Analogs

13690984
13722960
9048791

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[(2-methoxyphenyl)methyl]-2-[(3-methyl-2-thienyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzox (2Z)-8-[(2-methoxyphenyl)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)	4.53	8.62	-10.01	0	5	0	52	419.502	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 559937
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 = 559937 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=559937&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": "559937"        

    });
</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