ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

62977243

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-7-[[4-(diethylamino)phenyl]methylene]-9-methyl-3-(2-thienylmethyl)-2,4-dihydrofuro[3,2-g][1,3]b (7Z)-7-[[4-(diethylamino)phenyl]…

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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	11.82	-49.66	1	5	0	47	461.607	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.38	11.72	-10.34	0	5	0	46	460.599	6	↓ MOL2 SDF SMILES Flexibase

41586722

Analogs

41587364
41587484
41587545
41588035

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-9-methyl-7-(p-tolylmethylene)-3-(2-thienylmethyl)-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one (7Z)-9-methyl-7-(p-tolylmethylen…

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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)	4.97	10.1	-9.53	0	4	0	43	403.503	3	↓ MOL2 SDF SMILES Flexibase

41586762

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-7-[(4-fluorophenyl)methylene]-9-methyl-3-(2-thienylmethyl)-2,4-dihydrofuro[3,2-g][1,3]benzoxazi (7Z)-7-[(4-fluorophenyl)methylen…

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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)	4.68	9.5	-9.57	0	4	0	43	407.466	3	↓ MOL2 SDF SMILES Flexibase

41586795

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-7-[(4-chlorophenyl)methylene]-9-methyl-3-(2-thienylmethyl)-2,4-dihydrofuro[3,2-g][1,3]benzoxazi (7Z)-7-[(4-chlorophenyl)methylen…

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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)	5.20	9.95	-9	0	4	0	43	423.921	3	↓ MOL2 SDF SMILES Flexibase

41586834

Analogs

41587327

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-7-[(2,4-dichlorophenyl)methylene]-9-methyl-3-(2-thienylmethyl)-2,4-dihydrofuro[3,2-g][1,3]benzo (7Z)-7-[(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)	5.81	10.38	-7.73	0	4	0	43	458.366	3	↓ MOL2 SDF SMILES Flexibase

41586871

Analogs

41587327

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-7-[(2-chlorophenyl)methylene]-9-methyl-3-(2-thienylmethyl)-2,4-dihydrofuro[3,2-g][1,3]benzoxazi (7Z)-7-[(2-chlorophenyl)methylen…

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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)	5.15	9.87	-9.24	0	4	0	43	423.921	3	↓ MOL2 SDF SMILES Flexibase

41586911

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-7-[(2-fluorophenyl)methylene]-9-methyl-3-(2-thienylmethyl)-2,4-dihydrofuro[3,2-g][1,3]benzoxazi (7Z)-7-[(2-fluorophenyl)methylen…

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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)	4.64	9.49	-9.76	0	4	0	43	407.466	3	↓ MOL2 SDF SMILES Flexibase

41586943

Analogs

41587147
41587404

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-7-[(2-methoxyphenyl)methylene]-9-methyl-3-(2-thienylmethyl)-2,4-dihydrofuro[3,2-g][1,3]benzoxaz (7Z)-7-[(2-methoxyphenyl)methyle…

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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)	4.53	8.81	-10.84	0	5	0	52	419.502	4	↓ MOL2 SDF SMILES Flexibase

41587070

Analogs

41587513
28541901

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-9-methyl-3-(2-thienylmethyl)-7-[(3,4,5-trimethoxyphenyl)methylene]-2,4-dihydrofuro[3,2-g][1,3]b (7Z)-9-methyl-3-(2-thienylmethyl…

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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)	4.15	8.53	-13.45	0	7	0	70	479.554	6	↓ MOL2 SDF SMILES Flexibase

41587107

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-7-[(2-chloro-6-fluoro-phenyl)methylene]-9-methyl-3-(2-thienylmethyl)-2,4-dihydrofuro[3,2-g][1,3 (7Z)-7-[(2-chloro-6-fluoro-pheny…

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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)	5.27	9.93	-10.86	0	4	0	43	441.911	3	↓ MOL2 SDF SMILES Flexibase

41587147

Analogs

41587404
41586943

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-7-[(2,4-dimethoxyphenyl)methylene]-9-methyl-3-(2-thienylmethyl)-2,4-dihydrofuro[3,2-g][1,3]benz (7Z)-7-[(2,4-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)	4.56	8.12	-11.19	0	6	0	61	449.528	5	↓ MOL2 SDF SMILES Flexibase

41587177

Analogs

41587576

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-7-[(2,5-dimethoxyphenyl)methylene]-9-methyl-3-(2-thienylmethyl)-2,4-dihydrofuro[3,2-g][1,3]benz (7Z)-7-[(2,5-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)	4.56	8.09	-12.19	0	6	0	61	449.528	5	↓ MOL2 SDF SMILES Flexibase

41587209

Analogs

41588111

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-7-[(4-isopropylphenyl)methylene]-9-methyl-3-(2-thienylmethyl)-2,4-dihydrofuro[3,2-g][1,3]benzox (7Z)-7-[(4-isopropylphenyl)methy…

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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)	6.03	11.35	-9.16	0	4	0	43	431.557	4	↓ MOL2 SDF SMILES Flexibase

41587249

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-9-methyl-7-[(3-nitrophenyl)methylene]-3-(2-thienylmethyl)-2,4-dihydrofuro[3,2-g][1,3]benzoxazin (7Z)-9-methyl-7-[(3-nitrophenyl)…

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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)	4.46	10.13	-11.64	0	7	0	89	434.473	4	↓ MOL2 SDF SMILES Flexibase

41587289

Analogs

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Popular Name: methyl 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)	4.69	10.09	-11.8	0	6	0	69	447.512	5	↓ MOL2 SDF SMILES Flexibase

41587327

Analogs

41586834
41586871

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-7-[(2,6-dichlorophenyl)methylene]-9-methyl-3-(2-thienylmethyl)-2,4-dihydrofuro[3,2-g][1,3]benzo (7Z)-7-[(2,6-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)	5.78	10.31	-9.78	0	4	0	43	458.366	3	↓ MOL2 SDF SMILES Flexibase

41587364

Analogs

41587484
41587545
41588035
41586722

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-7-[(4-ethoxyphenyl)methylene]-9-methyl-3-(2-thienylmethyl)-2,4-dihydrofuro[3,2-g][1,3]benzoxazi (7Z)-7-[(4-ethoxyphenyl)methylen…

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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)	4.95	9.67	-10.3	0	5	0	52	433.529	5	↓ MOL2 SDF SMILES Flexibase

41587404

Analogs

41587147
41586943

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-7-[(2-ethoxyphenyl)methylene]-9-methyl-3-(2-thienylmethyl)-2,4-dihydrofuro[3,2-g][1,3]benzoxazi (7Z)-7-[(2-ethoxyphenyl)methylen…

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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)	4.91	9.74	-10.66	0	5	0	52	433.529	5	↓ MOL2 SDF SMILES Flexibase

41587484

Analogs

41587545
41588035
41586722
41587364

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-7-[(4-methoxyphenyl)methylene]-9-methyl-3-(2-thienylmethyl)-2,4-dihydrofuro[3,2-g][1,3]benzoxaz (7Z)-7-[(4-methoxyphenyl)methyle…

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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)	4.58	8.75	-10.51	0	5	0	52	419.502	4	↓ MOL2 SDF SMILES Flexibase

41587513

Analogs

41587070
28541901

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-7-[(3-methoxyphenyl)methylene]-9-methyl-3-(2-thienylmethyl)-2,4-dihydrofuro[3,2-g][1,3]benzoxaz (7Z)-7-[(3-methoxyphenyl)methyle…

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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	8.73	-11.56	0	5	0	52	419.502	4	↓ MOL2 SDF SMILES Flexibase

41587545

Analogs

41588035
41586722
41587364
41587484

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-7-benzylidene-9-methyl-3-(2-thienylmethyl)-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one (7Z)-7-benzylidene-9-methyl-3-(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)	4.52	9.43	-9.53	0	4	0	43	389.476	3	↓ MOL2 SDF SMILES Flexibase

41587576

Analogs

41587177

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-9-methyl-3-(2-thienylmethyl)-7-[(2,4,5-trimethoxyphenyl)methylene]-2,4-dihydrofuro[3,2-g][1,3]b (7Z)-9-methyl-3-(2-thienylmethyl…

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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)	4.15	8.01	-13.34	0	7	0	70	479.554	6	↓ MOL2 SDF SMILES Flexibase

41587607

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-7-[(5-bromo-2-methoxy-phenyl)methylene]-9-methyl-3-(2-thienylmethyl)-2,4-dihydrofuro[3,2-g][1,3 (7Z)-7-[(5-bromo-2-methoxy-pheny…

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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)	5.32	9.43	-10.35	0	5	0	52	498.398	4	↓ MOL2 SDF SMILES Flexibase

41587638

Analogs

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Popular Name: (7Z)-7-[(2-bromophenyl)methylene]-9-methyl-3-(2-thienylmethyl)-2,4-dihydrofuro[3,2-g][1,3]benzoxazin (7Z)-7-[(2-bromophenyl)methylene…

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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)	5.28	9.96	-9.18	0	4	0	43	468.372	3	↓ MOL2 SDF SMILES Flexibase

41587675

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-7-[(3-fluorophenyl)methylene]-9-methyl-3-(2-thienylmethyl)-2,4-dihydrofuro[3,2-g][1,3]benzoxazi (7Z)-7-[(3-fluorophenyl)methylen…

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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	9.5	-9.08	0	4	0	43	407.466	3	↓ MOL2 SDF SMILES Flexibase

41587711

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-7-[(3-chlorophenyl)methylene]-9-methyl-3-(2-thienylmethyl)-2,4-dihydrofuro[3,2-g][1,3]benzoxazi (7Z)-7-[(3-chlorophenyl)methylen…

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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)	5.18	9.95	-8.67	0	4	0	43	423.921	3	↓ MOL2 SDF SMILES Flexibase

41587750

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-7-[(3-bromophenyl)methylene]-9-methyl-3-(2-thienylmethyl)-2,4-dihydrofuro[3,2-g][1,3]benzoxazin (7Z)-7-[(3-bromophenyl)methylene…

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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)	5.31	10.05	-8.63	0	4	0	43	468.372	3	↓ MOL2 SDF SMILES Flexibase

41587803

Analogs

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Popular Name: (7Z)-9-methyl-7-(m-tolylmethylene)-3-(2-thienylmethyl)-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one (7Z)-9-methyl-7-(m-tolylmethylen…

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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)	4.95	10.09	-9.41	0	4	0	43	403.503	3	↓ MOL2 SDF SMILES Flexibase

41587881

Analogs

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Popular Name: (7Z)-9-methyl-7-(o-tolylmethylene)-3-(2-thienylmethyl)-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one (7Z)-9-methyl-7-(o-tolylmethylen…

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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)	4.92	9.99	-9.4	0	4	0	43	403.503	3	↓ MOL2 SDF SMILES Flexibase

41588035

Analogs

41586722
41587364
41587484
41587545

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-7-[(4-ethylphenyl)methylene]-9-methyl-3-(2-thienylmethyl)-2,4-dihydrofuro[3,2-g][1,3]benzoxazin (7Z)-7-[(4-ethylphenyl)methylene…

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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)	5.44	10.86	-9.29	0	4	0	43	417.53	4	↓ MOL2 SDF SMILES Flexibase

41588111

Analogs

41587209

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-7-[(4-tert-butylphenyl)methylene]-9-methyl-3-(2-thienylmethyl)-2,4-dihydrofuro[3,2-g][1,3]benzo (7Z)-7-[(4-tert-butylphenyl)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)	6.23	11.75	-9.13	0	4	0	43	445.584	4	↓ MOL2 SDF SMILES Flexibase

41588186

Analogs

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Popular Name: (7Z)-9-methyl-7-[(4-nitrophenyl)methylene]-3-(2-thienylmethyl)-2,4-dihydrofuro[3,2-g][1,3]benzoxazin (7Z)-9-methyl-7-[(4-nitrophenyl)…

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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)	4.48	10.14	-12.19	0	7	0	89	434.473	4	↓ MOL2 SDF SMILES Flexibase

41588260

Analogs

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Popular Name: (7Z)-7-[(4-bromophenyl)methylene]-9-methyl-3-(2-thienylmethyl)-2,4-dihydrofuro[3,2-g][1,3]benzoxazin (7Z)-7-[(4-bromophenyl)methylene…

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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)	5.33	10.06	-8.96	0	4	0	43	468.372	3	↓ MOL2 SDF SMILES Flexibase

41588331

Analogs

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Popular Name: (7Z)-7-[(3,4-dichlorophenyl)methylene]-9-methyl-3-(2-thienylmethyl)-2,4-dihydrofuro[3,2-g][1,3]benzo (7Z)-7-[(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)	5.81	10.41	-10.21	0	4	0	43	458.366	3	↓ MOL2 SDF SMILES Flexibase

41588403

Analogs

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Popular Name: (7Z)-7-[(2,3-dimethoxyphenyl)methylene]-9-methyl-3-(2-thienylmethyl)-2,4-dihydrofuro[3,2-g][1,3]benz (7Z)-7-[(2,3-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)	4.34	8.8	-11.53	0	6	0	61	449.528	5	↓ MOL2 SDF SMILES Flexibase

41588458

Analogs

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Popular Name: (7Z)-9-methyl-3-(2-thienylmethyl)-7-[(2,3,4-trimethoxyphenyl)methylene]-2,4-dihydrofuro[3,2-g][1,3]b (7Z)-9-methyl-3-(2-thienylmethyl…

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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)	4.35	8.77	-11.97	0	7	0	70	479.554	6	↓ MOL2 SDF SMILES Flexibase

41589351

Analogs

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Popular Name: (7Z)-7-[(4-dimethylaminophenyl)methylene]-9-methyl-3-(2-thienylmethyl)-2,4-dihydrofuro[3,2-g][1,3]be (7Z)-7-[(4-dimethylaminophenyl)m…

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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)	4.62	9.84	-10.88	0	5	0	46	432.545	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.62	10.6	-50.97	1	5	0	47	433.553	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 325173
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 = 325173 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=325173&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": "325173"        

    });
</script>

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