ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

41646501

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	4.33	9.64	-10.76	0	5	0	56	387.435	3	↓ MOL2 SDF SMILES Flexibase

41646507

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[(2-chlorophenyl)methyl]-2-(2-furylmethylene)-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin- (2Z)-8-[(2-chlorophenyl)methyl]-…

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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)	4.51	9.6	-11.86	0	5	0	56	407.853	3	↓ MOL2 SDF SMILES Flexibase

41646513

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[(4-fluorophenyl)methyl]-2-(2-furylmethylene)-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin- (2Z)-8-[(4-fluorophenyl)methyl]-…

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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	9.05	-11.92	0	5	0	56	391.398	3	↓ MOL2 SDF SMILES Flexibase

41646516

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[(4-chlorophenyl)methyl]-2-(2-furylmethylene)-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin- (2Z)-8-[(4-chlorophenyl)methyl]-…

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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)	4.56	9.51	-11.24	0	5	0	56	407.853	3	↓ MOL2 SDF SMILES Flexibase

41646519

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[(3,4-dimethoxyphenyl)methyl]-2-(2-furylmethylene)-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzox (2Z)-8-[(3,4-dimethoxyphenyl)met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.53	8.17	-14.63	0	7	0	74	433.46	5	↓ MOL2 SDF SMILES Flexibase

41646531

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[(2,4-dichlorophenyl)methyl]-2-(2-furylmethylene)-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxa (2Z)-8-[(2,4-dichlorophenyl)meth…

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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)	5.16	10.11	-12.07	0	5	0	56	442.298	3	↓ MOL2 SDF SMILES Flexibase

41646534

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[(3,4-dichlorophenyl)methyl]-2-(2-furylmethylene)-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxa (2Z)-8-[(3,4-dichlorophenyl)meth…

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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)	5.16	9.95	-11.67	0	5	0	56	442.298	3	↓ MOL2 SDF SMILES Flexibase

41646543

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	4.44	10.04	-9.88	0	5	0	56	387.435	3	↓ MOL2 SDF SMILES Flexibase

41646546

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	4.44	9.88	-10.98	0	5	0	56	387.435	3	↓ MOL2 SDF SMILES Flexibase

41646574

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	3.88	8.98	-10.78	0	5	0	56	373.408	3	↓ MOL2 SDF SMILES Flexibase

41646604

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-(2-furylmethylene)-8-[(4-methoxyphenyl)methyl]-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin (2Z)-2-(2-furylmethylene)-8-[(4-…

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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)	3.94	8.27	-12.47	0	6	0	65	403.434	4	↓ MOL2 SDF SMILES Flexibase

41646610

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-(2-furylmethylene)-8-[(2-methoxyphenyl)methyl]-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin (2Z)-2-(2-furylmethylene)-8-[(2-…

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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)	3.89	8.41	-12.31	0	6	0	65	403.434	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.89	11.29	-42.97	1	6	1	66	404.442	4	↓ MOL2 SDF SMILES Flexibase

41649471

Analogs

13691029
20624828
13733817

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-4-methyl-2-[(5-methyl-2-furyl)methylene]-8-(p-tolylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazi (2Z)-4-methyl-2-[(5-methyl-2-fur…

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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	-10.92	0	5	0	56	401.462	3	↓ MOL2 SDF SMILES Flexibase

41649481

Analogs

13691029
20624828
13692149

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[(2-chlorophenyl)methyl]-4-methyl-2-[(5-methyl-2-furyl)methylene]-7,9-dihydrofuro[2,3-f][1,3] (2Z)-8-[(2-chlorophenyl)methyl]-…

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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	10.42	-12.05	0	5	0	56	421.88	3	↓ MOL2 SDF SMILES Flexibase

41649492

Analogs

13692006
20624828
13691029

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[(4-fluorophenyl)methyl]-4-methyl-2-[(5-methyl-2-furyl)methylene]-7,9-dihydrofuro[2,3-f][1,3] (2Z)-8-[(4-fluorophenyl)methyl]-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.26	9.87	-12.04	0	5	0	56	405.425	3	↓ MOL2 SDF SMILES Flexibase

41649497

Analogs

13691029
20624828
13733817

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[(4-chlorophenyl)methyl]-4-methyl-2-[(5-methyl-2-furyl)methylene]-7,9-dihydrofuro[2,3-f][1,3] (2Z)-8-[(4-chlorophenyl)methyl]-…

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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	10.33	-11.35	0	5	0	56	421.88	3	↓ MOL2 SDF SMILES Flexibase

41649502

Analogs

13692149
13733817

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[(3,4-dimethoxyphenyl)methyl]-4-methyl-2-[(5-methyl-2-furyl)methylene]-7,9-dihydrofuro[2,3-f] (2Z)-8-[(3,4-dimethoxyphenyl)met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.75	8.99	-14.77	0	7	0	74	447.487	5	↓ MOL2 SDF SMILES Flexibase

41649522

Analogs

13691029
20624828
13733817

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[(2,4-dichlorophenyl)methyl]-4-methyl-2-[(5-methyl-2-furyl)methylene]-7,9-dihydrofuro[2,3-f][ (2Z)-8-[(2,4-dichlorophenyl)meth…

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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)	5.38	10.93	-12.25	0	5	0	56	456.325	3	↓ MOL2 SDF SMILES Flexibase

41649527

Analogs

13691029
20624828
13692149

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[(3,4-dichlorophenyl)methyl]-4-methyl-2-[(5-methyl-2-furyl)methylene]-7,9-dihydrofuro[2,3-f][ (2Z)-8-[(3,4-dichlorophenyl)meth…

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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)	5.38	10.78	-11.81	0	5	0	56	456.325	3	↓ MOL2 SDF SMILES Flexibase

41649542

Analogs

13691029
20624828
13733817

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-4-methyl-2-[(5-methyl-2-furyl)methylene]-8-[(1S)-1-phenylethyl]-7,9-dihydrofuro[2,3-f][1,3]benz (2Z)-4-methyl-2-[(5-methyl-2-fur…

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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)	4.66	10.86	-10.03	0	5	0	56	401.462	3	↓ MOL2 SDF SMILES Flexibase

41649547

Analogs

13691029
20624828
13733817

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-4-methyl-2-[(5-methyl-2-furyl)methylene]-8-[(1R)-1-phenylethyl]-7,9-dihydrofuro[2,3-f][1,3]benz (2Z)-4-methyl-2-[(5-methyl-2-fur…

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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)	4.66	10.71	-11.44	0	5	0	56	401.462	3	↓ MOL2 SDF SMILES Flexibase

41649603

Analogs

13691029
20624828
13733817

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-benzyl-4-methyl-2-[(5-methyl-2-furyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-benzyl-4-methyl-2-[(5-met…

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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)	4.10	9.81	-10.88	0	5	0	56	387.435	3	↓ MOL2 SDF SMILES Flexibase

41649655

Analogs

13691029
20624828
13733817

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[(4-methoxyphenyl)methyl]-4-methyl-2-[(5-methyl-2-furyl)methylene]-7,9-dihydrofuro[2,3-f][1,3 (2Z)-8-[(4-methoxyphenyl)methyl]…

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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	9.1	-12.54	0	6	0	65	417.461	4	↓ MOL2 SDF SMILES Flexibase

41649664

Analogs

13691029
20624828
13733817

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[(2-methoxyphenyl)methyl]-4-methyl-2-[(5-methyl-2-furyl)methylene]-7,9-dihydrofuro[2,3-f][1,3 (2Z)-8-[(2-methoxyphenyl)methyl]…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.11	9.24	-12.43	0	6	0	65	417.461	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.11	12.12	-42.77	1	6	1	66	418.469	4	↓ MOL2 SDF SMILES Flexibase

41656413

Analogs

20624828
13691029

Draw Identity 99% 90% 80% 70%

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

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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)	3.95	9	-10.77	0	5	0	56	373.408	3	↓ MOL2 SDF SMILES Flexibase

41656419

Analogs

13691029
20624828
13692006

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[(2-chlorophenyl)methyl]-2-(2-furylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-[(2-chlorophenyl)methyl]-…

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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	8.97	-11.95	0	5	0	56	393.826	3	↓ MOL2 SDF SMILES Flexibase

41656425

Analogs

13691029
20624828
13692006

Draw Identity 99% 90% 80% 70%

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

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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)	4.18	8.85	-11.39	0	5	0	56	393.826	3	↓ MOL2 SDF SMILES Flexibase

41656450

Analogs

13691029
20624828
13692006

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[(2,4-dichlorophenyl)methyl]-2-(2-furylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-[(2,4-dichlorophenyl)meth…

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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)	4.79	9.47	-12.08	0	5	0	56	428.271	3	↓ MOL2 SDF SMILES Flexibase

41656456

Analogs

13691029
20624828
13692006

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[(3,4-dichlorophenyl)methyl]-2-(2-furylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-[(3,4-dichlorophenyl)meth…

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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)	4.79	9.3	-11.81	0	5	0	56	428.271	3	↓ MOL2 SDF SMILES Flexibase

41656473

Analogs

13691029
20624828
13692006

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-(2-furylmethylene)-8-[(1S)-1-phenylethyl]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-2-(2-furylmethylene)-8-[(1S…

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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)	4.06	9.38	-9.91	0	5	0	56	373.408	3	↓ MOL2 SDF SMILES Flexibase

41656479

Analogs

13691029
20624828
13692006

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-(2-furylmethylene)-8-[(1R)-1-phenylethyl]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-2-(2-furylmethylene)-8-[(1R…

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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)	4.06	9.23	-11.01	0	5	0	56	373.408	3	↓ MOL2 SDF SMILES Flexibase

41656540

Analogs

20624828
13691029
41587473

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.50	8.32	-10.76	0	5	0	56	359.381	3	↓ MOL2 SDF SMILES Flexibase

41660585

Analogs

20624828
13691029
9422806

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(5-methyl-2-furyl)methylene]-8-(p-tolylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-2-[(5-methyl-2-furyl)methyl…

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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	9.82	-10.94	0	5	0	56	387.435	3	↓ MOL2 SDF SMILES Flexibase

41660597

Analogs

20624828
13691029
13692006

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[(2-chlorophenyl)methyl]-2-[(5-methyl-2-furyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazi (2Z)-8-[(2-chlorophenyl)methyl]-…

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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)	4.36	9.78	-12.11	0	5	0	56	407.853	3	↓ MOL2 SDF SMILES Flexibase

41660609

Analogs

13692006
20624828
13691029

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[(4-fluorophenyl)methyl]-2-[(5-methyl-2-furyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazi (2Z)-8-[(4-fluorophenyl)methyl]-…

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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)	3.89	9.24	-12.05	0	5	0	56	391.398	3	↓ MOL2 SDF SMILES Flexibase

41660615

Analogs

13691029
20624828
13692006

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[(4-chlorophenyl)methyl]-2-[(5-methyl-2-furyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazi (2Z)-8-[(4-chlorophenyl)methyl]-…

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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)	4.40	9.69	-11.44	0	5	0	56	407.853	3	↓ MOL2 SDF SMILES Flexibase

41660621

Analogs

13692149
13733817

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Popular Name: (2Z)-8-[(3,4-dimethoxyphenyl)methyl]-2-[(5-methyl-2-furyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benz (2Z)-8-[(3,4-dimethoxyphenyl)met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.37	8.35	-14.84	0	7	0	74	433.46	5	↓ MOL2 SDF SMILES Flexibase

41660637

Analogs

13691029
20624828
13692006

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[(2,4-dichlorophenyl)methyl]-2-[(5-methyl-2-furyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzo (2Z)-8-[(2,4-dichlorophenyl)meth…

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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)	5.01	10.29	-12.26	0	5	0	56	442.298	3	↓ MOL2 SDF SMILES Flexibase

41660643

Analogs

13691029
20624828
9422806

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[(3,4-dichlorophenyl)methyl]-2-[(5-methyl-2-furyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzo (2Z)-8-[(3,4-dichlorophenyl)meth…

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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)	5.01	10.14	-11.92	0	5	0	56	442.298	3	↓ MOL2 SDF SMILES Flexibase

41660660

Analogs

20624828
13691029
9422806

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(5-methyl-2-furyl)methylene]-8-[(1S)-1-phenylethyl]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3- (2Z)-2-[(5-methyl-2-furyl)methyl…

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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)	4.28	10.22	-10.03	0	5	0	56	387.435	3	↓ MOL2 SDF SMILES Flexibase

41660666

Analogs

20624828
13691029
9422806

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(5-methyl-2-furyl)methylene]-8-[(1R)-1-phenylethyl]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3- (2Z)-2-[(5-methyl-2-furyl)methyl…

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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)	4.28	10.07	-11.36	0	5	0	56	387.435	3	↓ MOL2 SDF SMILES Flexibase

41660725

Analogs

20624828
13691029
9422806

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-benzyl-2-[(5-methyl-2-furyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-benzyl-2-[(5-methyl-2-fur…

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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)	3.73	9.17	-10.9	0	5	0	56	373.408	3	↓ MOL2 SDF SMILES Flexibase

41660742

Analogs

20624828
13691029
9422806

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[(4-methoxyphenyl)methyl]-2-[(5-methyl-2-furyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzoxaz (2Z)-8-[(4-methoxyphenyl)methyl]…

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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)	3.78	8.46	-12.58	0	6	0	65	403.434	4	↓ MOL2 SDF SMILES Flexibase

41660753

Analogs

20624828
13691029
9422806

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[(2-methoxyphenyl)methyl]-2-[(5-methyl-2-furyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzoxaz (2Z)-8-[(2-methoxyphenyl)methyl]…

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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)	3.73	8.6	-12.42	0	6	0	65	403.434	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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Structural Results Found: (before additional filtering)

SQL Query Was

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