ZINC 12

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ZINC Item

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62993106

Analogs

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Popular Name: (2Z)-8-(1,3-benzodioxol-5-ylmethyl)-2-[[4-(diethylamino)phenyl]methylene]-4-methyl-7,9-dihydrofuro[2 (2Z)-8-(1,3-benzodioxol-5-ylmeth…

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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	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.37	11.26	-52.44	1	7	66	499.587	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.37	11.15	-12.7	0	7	64	498.579	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.37	14.12	-113.12	2	7	67	500.595	6	↓ MOL2 SDF SMILES Flexibase

62993146

Analogs

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Popular Name: (2Z)-8-(1,3-benzodioxol-5-ylmethyl)-2-[[4-(diethylamino)phenyl]methylene]-7,9-dihydrofuro[2,3-f][1,3 (2Z)-8-(1,3-benzodioxol-5-ylmeth…

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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)	4.99	10.61	-53.71	1	7	0	66	485.56	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.99	10.51	-12.82	0	7	0	64	484.552	6	↓ MOL2 SDF SMILES Flexibase

41644339

Analogs

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Popular Name: (2Z)-8-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-(p-tolylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxa (2Z)-8-(1,3-benzodioxol-5-ylmeth…

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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)	4.96	9.53	-11.8	0	6	0	61	441.483	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.96	12.39	-56.86	1	6	1	62	442.491	3	↓ MOL2 SDF SMILES Flexibase

41644455

Analogs

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

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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	8.94	-12.01	0	6	0	61	445.446	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.68	11.78	-57.93	1	6	1	62	446.454	3	↓ MOL2 SDF SMILES Flexibase

41644574

Analogs

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

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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)	5.19	9.38	-11.43	0	6	0	61	461.901	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.19	12.23	-57.3	1	6	1	62	462.909	3	↓ MOL2 SDF SMILES Flexibase

41644683

Analogs

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

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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	9.8	-10.87	0	6	0	61	496.346	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.80	12.66	-60.19	1	6	1	62	497.354	3	↓ MOL2 SDF SMILES Flexibase

41644797

Analogs

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

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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)	5.14	9.29	-12.28	0	6	0	61	461.901	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.14	12.14	-60.44	1	6	1	62	462.909	3	↓ MOL2 SDF SMILES Flexibase

41644914

Analogs

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

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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)	4.63	8.91	-12.92	0	6	0	61	445.446	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.63	11.76	-61.39	1	6	1	62	446.454	3	↓ MOL2 SDF SMILES Flexibase

41645031

Analogs

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

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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	8.22	-13.56	0	7	0	70	457.482	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.52	11.08	-59.28	1	7	1	72	458.49	4	↓ MOL2 SDF SMILES Flexibase

41645363

Analogs

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Popular Name: (2Z)-8-(1,3-benzodioxol-5-ylmethyl)-2-[(3,4-dimethoxyphenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3- (2Z)-8-(1,3-benzodioxol-5-ylmeth…

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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	8.1	-15.03	0	8	0	80	487.508	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.16	10.95	-62.22	1	8	1	81	488.516	5	↓ MOL2 SDF SMILES Flexibase

41645460

Analogs

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Popular Name: (2Z)-8-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(3,4,5-trimethoxyphenyl)methylene]-7,9-dihydrofuro[2 (2Z)-8-(1,3-benzodioxol-5-ylmeth…

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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)	4.14	8.01	-16.21	0	9	0	89	517.534	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.14	10.86	-64.74	1	9	1	90	518.542	6	↓ MOL2 SDF SMILES Flexibase

41645578

Analogs

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Popular Name: (2Z)-8-(1,3-benzodioxol-5-ylmethyl)-2-[(2-chloro-6-fluoro-phenyl)methylene]-4-methyl-7,9-dihydrofuro (2Z)-8-(1,3-benzodioxol-5-ylmeth…

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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	9.36	-12.93	0	6	0	61	479.891	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.26	12.22	-54.76	1	6	1	62	480.899	3	↓ MOL2 SDF SMILES Flexibase

41645690

Analogs

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Popular Name: (2Z)-8-(1,3-benzodioxol-5-ylmethyl)-2-[(2,4-dimethoxyphenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3- (2Z)-8-(1,3-benzodioxol-5-ylmeth…

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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	7.51	-14.19	0	8	0	80	487.508	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.55	10.37	-61.6	1	8	1	81	488.516	5	↓ MOL2 SDF SMILES Flexibase

41645804

Analogs

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Popular Name: (2Z)-8-(1,3-benzodioxol-5-ylmethyl)-2-[(2,5-dimethoxyphenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3- (2Z)-8-(1,3-benzodioxol-5-ylmeth…

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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	7.5	-13.78	0	8	0	80	487.508	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.55	10.36	-55.14	1	8	1	81	488.516	5	↓ MOL2 SDF SMILES Flexibase

41645919

Analogs

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Popular Name: (2Z)-8-(1,3-benzodioxol-5-ylmethyl)-2-[(4-isopropylphenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f] (2Z)-8-(1,3-benzodioxol-5-ylmeth…

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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	10.77	-11.36	0	6	0	61	469.537	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.03	13.63	-57.06	1	6	1	62	470.545	4	↓ MOL2 SDF SMILES Flexibase

41646031

Analogs

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Popular Name: (2Z)-8-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(3-nitrophenyl)methylene]-7,9-dihydrofuro[2,3-f][1,3 (2Z)-8-(1,3-benzodioxol-5-ylmeth…

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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)	4.45	9.57	-15.53	0	9	0	107	472.453	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.45	12.43	-68.19	1	9	1	108	473.461	4	↓ MOL2 SDF SMILES Flexibase

41646143

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)	4.68	9.5	-14.58	0	8	0	87	485.492	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.68	12.36	-58.03	1	8	1	89	486.5	5	↓ MOL2 SDF SMILES Flexibase

41646251

Analogs

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Popular Name: (2Z)-8-(1,3-benzodioxol-5-ylmethyl)-2-[(2,6-dichlorophenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f (2Z)-8-(1,3-benzodioxol-5-ylmeth…

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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	9.74	-12.04	0	6	0	61	496.346	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.77	12.6	-54.06	1	6	1	62	497.354	3	↓ MOL2 SDF SMILES Flexibase

41646369

Analogs

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Popular Name: (2Z)-8-(1,3-benzodioxol-5-ylmethyl)-2-[(4-ethoxyphenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1, (2Z)-8-(1,3-benzodioxol-5-ylmeth…

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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	9.1	-12.9	0	7	0	70	471.509	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.95	11.95	-59.48	1	7	1	72	472.517	5	↓ MOL2 SDF SMILES Flexibase

41646489

Analogs

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Popular Name: (2Z)-8-(1,3-benzodioxol-5-ylmethyl)-2-[(2-ethoxyphenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1, (2Z)-8-(1,3-benzodioxol-5-ylmeth…

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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)	4.90	9.16	-13.34	0	7	0	70	471.509	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.90	12.02	-59.29	1	7	1	72	472.517	5	↓ MOL2 SDF SMILES Flexibase

41646716

Analogs

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

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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)	4.57	8.17	-13.09	0	7	0	70	457.482	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.57	11.03	-59.5	1	7	1	72	458.49	4	↓ MOL2 SDF SMILES Flexibase

41646830

Analogs

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

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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	8.16	-12.87	0	7	0	70	457.482	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.55	11.01	-53.21	1	7	1	72	458.49	4	↓ MOL2 SDF SMILES Flexibase

41646947

Analogs

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Popular Name: (2Z)-8-(1,3-benzodioxol-5-ylmethyl)-2-benzylidene-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-o (2Z)-8-(1,3-benzodioxol-5-ylmeth…

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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	8.86	-11.85	0	6	0	61	427.456	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.51	11.71	-56.87	1	6	1	62	428.464	3	↓ MOL2 SDF SMILES Flexibase

41647048

Analogs

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Popular Name: (2Z)-8-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(2,4,5-trimethoxyphenyl)methylene]-7,9-dihydrofuro[2 (2Z)-8-(1,3-benzodioxol-5-ylmeth…

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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)	4.14	7.39	-16.06	0	9	0	89	517.534	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.14	10.26	-62.54	1	9	1	90	518.542	6	↓ MOL2 SDF SMILES Flexibase

41647230

Analogs

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Popular Name: (2Z)-8-(1,3-benzodioxol-5-ylmethyl)-2-[(2-bromophenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1,3 (2Z)-8-(1,3-benzodioxol-5-ylmeth…

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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	9.37	-12.27	0	6	0	61	506.352	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.27	12.24	-60.57	1	6	1	62	507.36	3	↓ MOL2 SDF SMILES Flexibase

41647351

Analogs

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

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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)	4.65	8.92	-12.17	0	6	0	61	445.446	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.65	11.78	-52.64	1	6	1	62	446.454	3	↓ MOL2 SDF SMILES Flexibase

41647466

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	5.17	9.38	-11.63	0	6	0	61	461.901	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.17	12.23	-52.38	1	6	1	62	462.909	3	↓ MOL2 SDF SMILES Flexibase

41647568

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-(1,3-benzodioxol-5-ylmethyl)-2-[(3-bromophenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1,3 (2Z)-8-(1,3-benzodioxol-5-ylmeth…

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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)	5.30	9.47	-11.64	0	6	0	61	506.352	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.30	12.33	-52.19	1	6	1	62	507.36	3	↓ MOL2 SDF SMILES Flexibase

41647699

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-(m-tolylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxa (2Z)-8-(1,3-benzodioxol-5-ylmeth…

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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)	4.94	9.52	-11.7	0	6	0	61	441.483	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.94	12.38	-56.78	1	6	1	62	442.491	3	↓ MOL2 SDF SMILES Flexibase

41647852

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-(o-tolylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxa (2Z)-8-(1,3-benzodioxol-5-ylmeth…

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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	9.42	-11.68	0	6	0	61	441.483	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.91	12.28	-56.53	1	6	1	62	442.491	3	↓ MOL2 SDF SMILES Flexibase

41648161

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-(1,3-benzodioxol-5-ylmethyl)-2-[(4-ethylphenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1,3 (2Z)-8-(1,3-benzodioxol-5-ylmeth…

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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)	5.43	10.3	-11.58	0	6	0	61	455.51	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.43	13.16	-56.74	1	6	1	62	456.518	4	↓ MOL2 SDF SMILES Flexibase

41648327

Analogs

12442578
12442513
12442511

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-(1,3-benzodioxol-5-ylmethyl)-2-[(4-tert-butylphenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f (2Z)-8-(1,3-benzodioxol-5-ylmeth…

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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)	6.22	11.18	-11.41	0	6	0	61	483.564	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.22	14.03	-56.88	1	6	1	62	484.572	4	↓ MOL2 SDF SMILES Flexibase

41648521

Analogs

12442578
12442513
12442511

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(4-nitrophenyl)methylene]-7,9-dihydrofuro[2,3-f][1,3 (2Z)-8-(1,3-benzodioxol-5-ylmeth…

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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)	4.47	9.57	-14.7	0	9	0	107	472.453	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.47	12.43	-62.97	1	9	1	108	473.461	4	↓ MOL2 SDF SMILES Flexibase

41648701

Analogs

12442578

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-(1,3-benzodioxol-5-ylmethyl)-2-[(4-bromophenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1,3 (2Z)-8-(1,3-benzodioxol-5-ylmeth…

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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	9.48	-11.38	0	6	0	61	506.352	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.32	12.34	-57.26	1	6	1	62	507.36	3	↓ MOL2 SDF SMILES Flexibase

41648888

Analogs

12442578
12442513
12442511

Draw Identity 99% 90% 80% 70%

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

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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	9.83	-11.75	0	6	0	61	496.346	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.80	12.69	-53.59	1	6	1	62	497.354	3	↓ MOL2 SDF SMILES Flexibase

41649079

Analogs

12442578
13735113

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-(1,3-benzodioxol-5-ylmethyl)-2-[(2,3-dimethoxyphenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3- (2Z)-8-(1,3-benzodioxol-5-ylmeth…

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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	8.21	-14.55	0	8	0	80	487.508	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.33	11.07	-63.04	1	8	1	81	488.516	5	↓ MOL2 SDF SMILES Flexibase

41649253

Analogs

12442578
13735113

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(2,3,4-trimethoxyphenyl)methylene]-7,9-dihydrofuro[2 (2Z)-8-(1,3-benzodioxol-5-ylmeth…

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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	8.16	-15.24	0	9	0	89	517.534	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.34	11.02	-65.15	1	9	1	90	518.542	6	↓ MOL2 SDF SMILES Flexibase

41651759

Analogs

12442578

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-(1,3-benzodioxol-5-ylmethyl)-2-[(4-dimethylaminophenyl)methylene]-4-methyl-7,9-dihydrofuro[2, (2Z)-8-(1,3-benzodioxol-5-ylmeth…

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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	9.27	-13.15	0	7	0	64	470.525	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.62	10.03	-53.6	1	7	0	66	471.533	4	↓ MOL2 SDF SMILES Flexibase

41652445

Analogs

13691560
13728375

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-(1,3-benzodioxol-5-ylmethyl)-2-(p-tolylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-(1,3-benzodioxol-5-ylmeth…

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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	8.88	-11.91	0	6	0	61	427.456	3	↓ MOL2 SDF SMILES Flexibase

41652659

Analogs

28541909
13728375

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-(1,3-benzodioxol-5-ylmethyl)-2-[(4-fluorophenyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzoxa (2Z)-8-(1,3-benzodioxol-5-ylmeth…

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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)	4.30	8.27	-12.08	0	6	0	61	431.419	3	↓ MOL2 SDF SMILES Flexibase

41652898

Analogs

13728375
13691560

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-(1,3-benzodioxol-5-ylmethyl)-2-[(4-chlorophenyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzoxa (2Z)-8-(1,3-benzodioxol-5-ylmeth…

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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)	4.81	8.73	-11.54	0	6	0	61	447.874	3	↓ MOL2 SDF SMILES Flexibase

41653126

Analogs

13728375
13691560

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-(1,3-benzodioxol-5-ylmethyl)-2-[(2,4-dichlorophenyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]ben (2Z)-8-(1,3-benzodioxol-5-ylmeth…

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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)	5.42	9.15	-11.7	0	6	0	61	482.319	3	↓ MOL2 SDF SMILES Flexibase

41653341

Analogs

13728375
13691560

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-(1,3-benzodioxol-5-ylmethyl)-2-[(2-chlorophenyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzoxa (2Z)-8-(1,3-benzodioxol-5-ylmeth…

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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)	4.77	8.65	-12.39	0	6	0	61	447.874	3	↓ MOL2 SDF SMILES Flexibase

41653546

Analogs

28541909
13728375

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-(1,3-benzodioxol-5-ylmethyl)-2-[(2-fluorophenyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzoxa (2Z)-8-(1,3-benzodioxol-5-ylmeth…

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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)	4.25	8.26	-13.07	0	6	0	61	431.419	3	↓ MOL2 SDF SMILES Flexibase

41653748

Analogs

13693174
13719626

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-(1,3-benzodioxol-5-ylmethyl)-2-[(2-methoxyphenyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzox (2Z)-8-(1,3-benzodioxol-5-ylmeth…

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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)	4.14	7.59	-13.58	0	7	0	70	443.455	4	↓ MOL2 SDF SMILES Flexibase

41654232

Analogs

13731921
13691191

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-(1,3-benzodioxol-5-ylmethyl)-2-[(3,4-dimethoxyphenyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]be (2Z)-8-(1,3-benzodioxol-5-ylmeth…

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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	7.43	-15.2	0	8	0	80	473.481	5	↓ MOL2 SDF SMILES Flexibase

41654383

Analogs

13731921
13691191

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-(1,3-benzodioxol-5-ylmethyl)-2-[(3,4,5-trimethoxyphenyl)methylene]-7,9-dihydrofuro[2,3-f][1,3 (2Z)-8-(1,3-benzodioxol-5-ylmeth…

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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)	3.77	7.34	-16.47	0	9	0	89	503.507	6	↓ MOL2 SDF SMILES Flexibase

41654604

Analogs

28541909

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-(1,3-benzodioxol-5-ylmethyl)-2-[(2-chloro-6-fluoro-phenyl)methylene]-7,9-dihydrofuro[2,3-f][1 (2Z)-8-(1,3-benzodioxol-5-ylmeth…

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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)	4.88	8.7	-12.79	0	6	0	61	465.864	3	↓ MOL2 SDF SMILES Flexibase

41654802

Analogs

13693174
13719626

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-(1,3-benzodioxol-5-ylmethyl)-2-[(2,4-dimethoxyphenyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]be (2Z)-8-(1,3-benzodioxol-5-ylmeth…

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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	6.88	-14.28	0	8	0	80	473.481	5	↓ MOL2 SDF SMILES Flexibase

41655001

Analogs

13735113
13719626

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-(1,3-benzodioxol-5-ylmethyl)-2-[(2,5-dimethoxyphenyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]be (2Z)-8-(1,3-benzodioxol-5-ylmeth…

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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	6.86	-13.83	0	8	0	80	473.481	5	↓ MOL2 SDF SMILES Flexibase

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SQL Query Was

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