ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

62957620

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-6-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxy]-2-[[4-(diethylamino)phenyl]methylene]-7-methyl-be (2Z)-6-[(6-chloro-4H-1,3-benzodi…

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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)	6.49	14.61	-50.34	1	6	0	62	507.006	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	6.49	14.51	-10.97	0	6	0	61	505.998	7	↓ MOL2 SDF SMILES Flexibase

62957621

Analogs

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Popular Name: (2Z)-6-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxy]-2-[[4-(diethylamino)phenyl]methylene]-4-methyl-be (2Z)-6-[(6-chloro-4H-1,3-benzodi…

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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)	6.49	14.52	-47.09	1	6	0	62	507.006	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	6.49	14.41	-10.8	0	6	0	61	505.998	7	↓ MOL2 SDF SMILES Flexibase

62957622

Analogs

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Popular Name: (2Z)-6-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxy]-2-[[4-(diethylamino)phenyl]methylene]benzofuran-3 (2Z)-6-[(6-chloro-4H-1,3-benzodi…

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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)	6.11	13.87	-49.43	1	6	0	62	492.979	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	6.11	13.77	-11.03	0	6	0	61	491.971	7	↓ MOL2 SDF SMILES Flexibase

41507375

Analogs

41507447
41507459
41507468
41507486
41507506

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-6-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxy]-7-methyl-2-(p-tolylmethylene)benzofuran-3-one (2Z)-6-[(6-chloro-4H-1,3-benzodi…

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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)	6.08	12.88	-10.17	0	5	0	58	448.902	4	↓ MOL2 SDF SMILES Flexibase

41507379

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-6-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxy]-2-[(4-fluorophenyl)methylene]-7-methyl-benzofuran (2Z)-6-[(6-chloro-4H-1,3-benzodi…

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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)	5.80	12.27	-10.18	0	5	0	58	452.865	4	↓ MOL2 SDF SMILES Flexibase

41507383

Analogs

41507447
41507459
41507468
41507523

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-6-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxy]-2-[(4-chlorophenyl)methylene]-7-methyl-benzofuran (2Z)-6-[(6-chloro-4H-1,3-benzodi…

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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)	6.31	12.73	-9.65	0	5	0	58	469.32	4	↓ MOL2 SDF SMILES Flexibase

41507388

Analogs

41507443

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-6-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxy]-2-[(2,4-dichlorophenyl)methylene]-7-methyl-benzof (2Z)-6-[(6-chloro-4H-1,3-benzodi…

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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)	6.92	13.16	-8.46	0	5	0	58	503.765	4	↓ MOL2 SDF SMILES Flexibase

41507392

Analogs

41507443

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-6-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxy]-2-[(2-chlorophenyl)methylene]-7-methyl-benzofuran (2Z)-6-[(6-chloro-4H-1,3-benzodi…

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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)	6.26	12.65	-9.99	0	5	0	58	469.32	4	↓ MOL2 SDF SMILES Flexibase

41507397

Analogs

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Popular Name: (2Z)-6-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxy]-2-[(2-fluorophenyl)methylene]-7-methyl-benzofuran (2Z)-6-[(6-chloro-4H-1,3-benzodi…

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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)	5.75	12.26	-10.53	0	5	0	58	452.865	4	↓ MOL2 SDF SMILES Flexibase

41507401

Analogs

41507421
41507451

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-6-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxy]-2-[(2-methoxyphenyl)methylene]-7-methyl-benzofura (2Z)-6-[(6-chloro-4H-1,3-benzodi…

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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)	5.64	11.58	-11.57	0	6	0	67	464.901	5	↓ MOL2 SDF SMILES Flexibase

41507410

Analogs

41507414
41507463

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-6-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxy]-2-[(3,4-dimethoxyphenyl)methylene]-7-methyl-benzo (2Z)-6-[(6-chloro-4H-1,3-benzodi…

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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	11.44	-12.93	0	7	0	76	494.927	6	↓ MOL2 SDF SMILES Flexibase

41507414

Analogs

41507463
41507410

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-6-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxy]-7-methyl-2-[(3,4,5-trimethoxyphenyl)methylene]ben (2Z)-6-[(6-chloro-4H-1,3-benzodi…

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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)	5.26	11.32	-14.16	0	8	0	86	524.953	7	↓ MOL2 SDF SMILES Flexibase

41507418

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-6-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxy]-2-[(2-chloro-6-fluoro-phenyl)methylene]-7-methyl- (2Z)-6-[(6-chloro-4H-1,3-benzodi…

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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)	6.38	12.71	-11.61	0	5	0	58	487.31	4	↓ MOL2 SDF SMILES Flexibase

41507421

Analogs

41507451
41507401

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-6-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxy]-2-[(2,4-dimethoxyphenyl)methylene]-7-methyl-benzo (2Z)-6-[(6-chloro-4H-1,3-benzodi…

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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)	5.67	10.89	-11.98	0	7	0	76	494.927	6	↓ MOL2 SDF SMILES Flexibase

41507426

Analogs

41507472

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-6-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxy]-2-[(2,5-dimethoxyphenyl)methylene]-7-methyl-benzo (2Z)-6-[(6-chloro-4H-1,3-benzodi…

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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)	5.67	10.87	-12.83	0	7	0	76	494.927	6	↓ MOL2 SDF SMILES Flexibase

41507431

Analogs

41507510

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-6-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxy]-2-[(4-isopropylphenyl)methylene]-7-methyl-benzofu (2Z)-6-[(6-chloro-4H-1,3-benzodi…

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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)	7.14	14.12	-9.77	0	5	0	58	476.956	5	↓ MOL2 SDF SMILES Flexibase

41507435

Analogs

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Popular Name: (2Z)-6-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxy]-7-methyl-2-[(3-nitrophenyl)methylene]benzofuran-3 (2Z)-6-[(6-chloro-4H-1,3-benzodi…

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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)	5.57	12.91	-12.34	0	8	0	104	479.872	5	↓ MOL2 SDF SMILES Flexibase

41507439

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)	5.80	12.86	-12.44	0	7	0	84	492.911	6	↓ MOL2 SDF SMILES Flexibase

41507443

Analogs

41507388
41507392

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-6-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxy]-2-[(2,6-dichlorophenyl)methylene]-7-methyl-benzof (2Z)-6-[(6-chloro-4H-1,3-benzodi…

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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)	6.89	13.09	-10.52	0	5	0	58	503.765	4	↓ MOL2 SDF SMILES Flexibase

41507447

Analogs

41507459
41507468
41507486
41507506
41507375

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-6-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxy]-2-[(4-ethoxyphenyl)methylene]-7-methyl-benzofuran (2Z)-6-[(6-chloro-4H-1,3-benzodi…

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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)	6.07	12.45	-10.96	0	6	0	67	478.928	6	↓ MOL2 SDF SMILES Flexibase

41507451

Analogs

41507401
41507421

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-6-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxy]-2-[(2-ethoxyphenyl)methylene]-7-methyl-benzofuran (2Z)-6-[(6-chloro-4H-1,3-benzodi…

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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)	6.02	12.51	-11.38	0	6	0	67	478.928	6	↓ MOL2 SDF SMILES Flexibase

41507459

Analogs

41507468
41507486
41507506
41507375
41507383

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-6-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxy]-2-[(4-methoxyphenyl)methylene]-7-methyl-benzofura (2Z)-6-[(6-chloro-4H-1,3-benzodi…

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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)	5.69	11.52	-11.14	0	6	0	67	464.901	5	↓ MOL2 SDF SMILES Flexibase

41507463

Analogs

41507410
41507414

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-6-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxy]-2-[(3-methoxyphenyl)methylene]-7-methyl-benzofura (2Z)-6-[(6-chloro-4H-1,3-benzodi…

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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)	5.66	11.5	-12.13	0	6	0	67	464.901	5	↓ MOL2 SDF SMILES Flexibase

41507468

Analogs

41507486
41507506
41507375
41507383
41507447

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-benzylidene-6-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxy]-7-methyl-benzofuran-3-one (2Z)-2-benzylidene-6-[(6-chloro-…

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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)	5.63	12.2	-10.16	0	5	0	58	434.875	4	↓ MOL2 SDF SMILES Flexibase

41507472

Analogs

41507527
41507532
41507426

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-6-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxy]-7-methyl-2-[(2,4,5-trimethoxyphenyl)methylene]ben (2Z)-6-[(6-chloro-4H-1,3-benzodi…

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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)	5.26	10.79	-14.09	0	8	0	86	524.953	7	↓ MOL2 SDF SMILES Flexibase

41507478

Analogs

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Popular Name: (2Z)-2-[(2-bromophenyl)methylene]-6-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxy]-7-methyl-benzofuran- (2Z)-2-[(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)	6.39	12.74	-10	0	5	0	58	513.771	4	↓ MOL2 SDF SMILES Flexibase

41507482

Analogs

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Popular Name: (2Z)-6-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxy]-2-[(3-fluorophenyl)methylene]-7-methyl-benzofuran (2Z)-6-[(6-chloro-4H-1,3-benzodi…

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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)	5.77	12.27	-9.74	0	5	0	58	452.865	4	↓ MOL2 SDF SMILES Flexibase

41507486

Analogs

41507506
41507375
41507447
41507459
41507468

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-6-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxy]-2-[(3-chlorophenyl)methylene]-7-methyl-benzofuran (2Z)-6-[(6-chloro-4H-1,3-benzodi…

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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)	6.29	12.72	-9.38	0	5	0	58	469.32	4	↓ MOL2 SDF SMILES Flexibase

41507490

Analogs

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Popular Name: (2Z)-2-[(3-bromophenyl)methylene]-6-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxy]-7-methyl-benzofuran- (2Z)-2-[(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)	6.42	12.83	-9.3	0	5	0	58	513.771	4	↓ MOL2 SDF SMILES Flexibase

41507494

Analogs

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Popular Name: (2Z)-6-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxy]-7-methyl-2-(m-tolylmethylene)benzofuran-3-one (2Z)-6-[(6-chloro-4H-1,3-benzodi…

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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)	6.06	12.87	-10.01	0	5	0	58	448.902	4	↓ MOL2 SDF SMILES Flexibase

41507498

Analogs

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Popular Name: (2Z)-6-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxy]-7-methyl-2-(o-tolylmethylene)benzofuran-3-one (2Z)-6-[(6-chloro-4H-1,3-benzodi…

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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	12.77	-10.03	0	5	0	58	448.902	4	↓ MOL2 SDF SMILES Flexibase

41507506

Analogs

41507375
41507447
41507459
41507468
41507486

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Popular Name: (2Z)-6-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxy]-2-[(4-ethylphenyl)methylene]-7-methyl-benzofuran- (2Z)-6-[(6-chloro-4H-1,3-benzodi…

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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)	6.55	13.65	-9.93	0	5	0	58	462.929	5	↓ MOL2 SDF SMILES Flexibase

41507510

Analogs

41507431

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Popular Name: (2Z)-2-[(4-tert-butylphenyl)methylene]-6-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxy]-7-methyl-benzof (2Z)-2-[(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)	7.34	14.53	-9.74	0	5	0	58	490.983	5	↓ MOL2 SDF SMILES Flexibase

41507515

Analogs

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Popular Name: (2Z)-6-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxy]-7-methyl-2-[(4-nitrophenyl)methylene]benzofuran-3 (2Z)-6-[(6-chloro-4H-1,3-benzodi…

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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)	5.59	12.92	-12.83	0	8	0	104	479.872	5	↓ MOL2 SDF SMILES Flexibase

41507519

Analogs

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Popular Name: (2Z)-2-[(4-bromophenyl)methylene]-6-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxy]-7-methyl-benzofuran- (2Z)-2-[(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)	6.44	12.83	-9.56	0	5	0	58	513.771	4	↓ MOL2 SDF SMILES Flexibase

41507523

Analogs

41507383

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-6-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxy]-2-[(3,4-dichlorophenyl)methylene]-7-methyl-benzof (2Z)-6-[(6-chloro-4H-1,3-benzodi…

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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)	6.92	13.18	-10.81	0	5	0	58	503.765	4	↓ MOL2 SDF SMILES Flexibase

41507527

Analogs

41507532
41507472

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-6-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxy]-2-[(2,3-dimethoxyphenyl)methylene]-7-methyl-benzo (2Z)-6-[(6-chloro-4H-1,3-benzodi…

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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)	5.45	11.58	-12.26	0	7	0	76	494.927	6	↓ MOL2 SDF SMILES Flexibase

41507532

Analogs

41507472
41507527

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-6-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxy]-7-methyl-2-[(2,3,4-trimethoxyphenyl)methylene]ben (2Z)-6-[(6-chloro-4H-1,3-benzodi…

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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)	5.46	11.54	-12.67	0	8	0	86	524.953	7	↓ MOL2 SDF SMILES Flexibase

41507570

Analogs

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Popular Name: (2Z)-6-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxy]-2-[(4-dimethylaminophenyl)methylene]-7-methyl-ben (2Z)-6-[(6-chloro-4H-1,3-benzodi…

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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)	5.73	12.59	-11.41	0	6	0	61	477.944	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.73	13.37	-51.38	1	6	0	62	478.952	5	↓ MOL2 SDF SMILES Flexibase

41507585

Analogs

41507653
41507663
41507670
41507702
41507737

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Popular Name: (2Z)-6-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxy]-4-methyl-2-(p-tolylmethylene)benzofuran-3-one (2Z)-6-[(6-chloro-4H-1,3-benzodi…

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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)	6.08	12.79	-9.87	0	5	0	58	448.902	4	↓ MOL2 SDF SMILES Flexibase

41507589

Analogs

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Popular Name: (2Z)-6-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxy]-2-[(4-fluorophenyl)methylene]-4-methyl-benzofuran (2Z)-6-[(6-chloro-4H-1,3-benzodi…

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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)	5.80	12.18	-9.84	0	5	0	58	452.865	4	↓ MOL2 SDF SMILES Flexibase

41507593

Analogs

41507653
41507663
41507670

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-6-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxy]-2-[(4-chlorophenyl)methylene]-4-methyl-benzofuran (2Z)-6-[(6-chloro-4H-1,3-benzodi…

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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)	6.31	12.63	-9.36	0	5	0	58	469.32	4	↓ MOL2 SDF SMILES Flexibase

41507597

Analogs

41507649

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Popular Name: (2Z)-6-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxy]-2-[(2,4-dichlorophenyl)methylene]-4-methyl-benzof (2Z)-6-[(6-chloro-4H-1,3-benzodi…

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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)	6.92	13.05	-8.32	0	5	0	58	503.765	4	↓ MOL2 SDF SMILES Flexibase

41507601

Analogs

41507649

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Popular Name: (2Z)-6-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxy]-2-[(2-chlorophenyl)methylene]-4-methyl-benzofuran (2Z)-6-[(6-chloro-4H-1,3-benzodi…

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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)	6.26	12.54	-9.92	0	5	0	58	469.32	4	↓ MOL2 SDF SMILES Flexibase

41507605

Analogs

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Popular Name: (2Z)-6-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxy]-2-[(2-fluorophenyl)methylene]-4-methyl-benzofuran (2Z)-6-[(6-chloro-4H-1,3-benzodi…

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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)	5.75	12.16	-10.5	0	5	0	58	452.865	4	↓ MOL2 SDF SMILES Flexibase

41507608

Analogs

41507628
41507657

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Popular Name: (2Z)-6-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxy]-2-[(2-methoxyphenyl)methylene]-4-methyl-benzofura (2Z)-6-[(6-chloro-4H-1,3-benzodi…

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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)	5.64	11.47	-11.42	0	6	0	67	464.901	5	↓ MOL2 SDF SMILES Flexibase

41507616

Analogs

41507620
41507667

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-6-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxy]-2-[(3,4-dimethoxyphenyl)methylene]-4-methyl-benzo (2Z)-6-[(6-chloro-4H-1,3-benzodi…

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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	11.35	-12.77	0	7	0	76	494.927	6	↓ MOL2 SDF SMILES Flexibase

41507620

Analogs

41507667
41507616

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-6-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxy]-4-methyl-2-[(3,4,5-trimethoxyphenyl)methylene]ben (2Z)-6-[(6-chloro-4H-1,3-benzodi…

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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)	5.26	11.28	-13.89	0	8	0	86	524.953	7	↓ MOL2 SDF SMILES Flexibase

41507624

Analogs

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Popular Name: (2Z)-6-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxy]-2-[(2-chloro-6-fluoro-phenyl)methylene]-4-methyl- (2Z)-6-[(6-chloro-4H-1,3-benzodi…

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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)	6.38	12.61	-11.28	0	5	0	58	487.31	4	↓ MOL2 SDF SMILES Flexibase

41507628

Analogs

41507657
41507608

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-6-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxy]-2-[(2,4-dimethoxyphenyl)methylene]-4-methyl-benzo (2Z)-6-[(6-chloro-4H-1,3-benzodi…

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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)	5.67	10.77	-11.88	0	7	0	76	494.927	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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SQL Query Was

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