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ZINC Item

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62993070

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-2-[[4-(diethylamino)phenyl]methylene]-8-[2-(4-fluorophenyl)ethyl]-4-methyl-7,9-dihydrofuro[2,3- (2E)-2-[[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	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.05	13.36	-44.94	1	5	47	487.595	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	6.05	13.24	-10.8	0	5	46	486.587	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.05	16.21	-95.69	2	5	48	488.603	7	↓ MOL2 SDF SMILES Flexibase

62993072

Analogs

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Popular Name: (2E)-2-[[4-(diethylamino)phenyl]methylene]-8-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-7,9-dihydrofuro (2E)-2-[[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	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.53	12.48	-48.3	1	7	66	529.657	9	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.53	12.37	-13.88	0	7	64	528.649	9	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.53	15.34	-97.75	2	7	67	530.665	9	↓ MOL2 SDF SMILES Flexibase

62993074

Analogs

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Popular Name: (2E)-2-[[4-(diethylamino)phenyl]methylene]-8-[2-(4-methoxyphenyl)ethyl]-4-methyl-7,9-dihydrofuro[2,3 (2E)-2-[[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	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.94	12.58	-45.82	1	6	56	499.631	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.94	12.47	-11.11	0	6	55	498.623	8	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.94	15.44	-94.11	2	6	58	500.639	8	↓ MOL2 SDF SMILES Flexibase

62993080

Analogs

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Popular Name: (2E)-8-[2-(4-chlorophenyl)ethyl]-2-[[4-(diethylamino)phenyl]methylene]-4-methyl-7,9-dihydrofuro[2,3- (2E)-8-[2-(4-chlorophenyl)ethyl]…

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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)	6.56	13.81	-44.39	1	5	47	504.05	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	6.56	13.69	-10.09	0	5	46	503.042	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.56	16.67	-91.88	2	5	48	505.058	7	↓ MOL2 SDF SMILES Flexibase

62993083

Analogs

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Popular Name: (2Z)-8-[2-(2-chlorophenyl)ethyl]-2-[[4-(diethylamino)phenyl]methylene]-4-methyl-7,9-dihydrofuro[2,3- (2Z)-8-[2-(2-chlorophenyl)ethyl]…

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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)	6.51	13.85	-49.07	1	5	47	504.05	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	6.51	13.75	-10.36	0	5	46	503.042	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.51	16.71	-109.91	2	5	48	505.058	7	↓ MOL2 SDF SMILES Flexibase

62993096

Analogs

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Popular Name: (2Z)-2-[[4-(diethylamino)phenyl]methylene]-8-[2-(2-methoxyphenyl)ethyl]-4-methyl-7,9-dihydrofuro[2,3 (2Z)-2-[[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	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.89	12.8	-50.08	1	6	56	499.631	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.89	12.69	-10.93	0	6	55	498.623	8	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.89	15.67	-105.97	2	6	58	500.639	8	↓ MOL2 SDF SMILES Flexibase

62993109

Analogs

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Popular Name: (2Z)-2-[[4-(diethylamino)phenyl]methylene]-8-[2-(4-fluorophenyl)ethyl]-7,9-dihydrofuro[2,3-f][1,3]be (2Z)-2-[[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	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.67	12.87	-47.83	1	5	47	473.568	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.67	12.76	-10.79	0	5	46	472.56	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.67	15.72	-117.06	2	5	48	474.576	7	↓ MOL2 SDF SMILES Flexibase

62993111

Analogs

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Popular Name: (2Z)-2-[[4-(diethylamino)phenyl]methylene]-8-[2-(3,4-dimethoxyphenyl)ethyl]-7,9-dihydrofuro[2,3-f][1 (2Z)-2-[[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	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.15	11.99	-52.86	1	7	66	515.63	9	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.15	11.89	-13.79	0	7	64	514.622	9	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.15	14.85	-118.44	2	7	67	516.638	9	↓ MOL2 SDF SMILES Flexibase

62993113

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[[4-(diethylamino)phenyl]methylene]-8-[2-(4-methoxyphenyl)ethyl]-7,9-dihydrofuro[2,3-f][1,3]b (2Z)-2-[[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	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.56	12.1	-50.86	1	6	56	485.604	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.56	12	-11.13	0	6	55	484.596	8	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.56	14.95	-115.16	2	6	58	486.612	8	↓ MOL2 SDF SMILES Flexibase

62993119

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[2-(4-chlorophenyl)ethyl]-2-[[4-(diethylamino)phenyl]methylene]-7,9-dihydrofuro[2,3-f][1,3]be (2Z)-8-[2-(4-chlorophenyl)ethyl]…

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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)	6.18	13.32	-47.22	1	5	47	490.023	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	6.18	13.22	-10.05	0	5	46	489.015	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.18	16.17	-115.93	2	5	48	491.031	7	↓ MOL2 SDF SMILES Flexibase

62993122

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[2-(2,4-dichlorophenyl)ethyl]-2-[[4-(diethylamino)phenyl]methylene]-7,9-dihydrofuro[2,3-f][1, (2Z)-8-[2-(2,4-dichlorophenyl)et…

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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)	6.79	13.72	-47.31	1	5	0	47	524.468	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	6.79	13.61	-10.52	0	5	0	46	523.46	7	↓ MOL2 SDF SMILES Flexibase

62993123

Analogs

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Popular Name: (2Z)-8-[2-(2-chlorophenyl)ethyl]-2-[[4-(diethylamino)phenyl]methylene]-7,9-dihydrofuro[2,3-f][1,3]be (2Z)-8-[2-(2-chlorophenyl)ethyl]…

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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)	6.14	13.21	-47.49	1	5	0	47	490.023	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	6.14	13.1	-10.33	0	5	0	46	489.015	7	↓ MOL2 SDF SMILES Flexibase

62993136

Analogs

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Popular Name: (2Z)-2-[[4-(diethylamino)phenyl]methylene]-8-[2-(2-methoxyphenyl)ethyl]-7,9-dihydrofuro[2,3-f][1,3]b (2Z)-2-[[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	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.51	12.15	-51.07	1	6	56	485.604	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.51	12.05	-10.95	0	6	55	484.596	8	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.51	15.01	-113.4	2	6	58	486.612	8	↓ MOL2 SDF SMILES Flexibase

41644232

Analogs

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Popular Name: (2E)-8-[2-(4-fluorophenyl)ethyl]-4-methyl-2-(p-tolylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin (2E)-8-[2-(4-fluorophenyl)ethyl]…

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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	11.65	-10.09	0	4	0	43	429.491	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.64	14.49	-55.19	1	4	1	44	430.499	4	↓ MOL2 SDF SMILES Flexibase

41644238

Analogs

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Popular Name: (2E)-8-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-2-(p-tolylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzo (2E)-8-[2-(3,4-dimethoxyphenyl)e…

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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)	5.12	10.78	-13.19	0	6	0	61	471.553	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.12	13.61	-57.06	1	6	1	62	472.561	6	↓ MOL2 SDF SMILES Flexibase

41644244

Analogs

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Popular Name: (2E)-8-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-(p-tolylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazi (2E)-8-[2-(4-methoxyphenyl)ethyl…

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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)	5.53	10.88	-10.39	0	5	0	52	441.527	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.53	13.72	-52.61	1	5	1	53	442.535	5	↓ MOL2 SDF SMILES Flexibase

41644262

Analogs

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Popular Name: (2E)-8-[2-(4-chlorophenyl)ethyl]-4-methyl-2-(p-tolylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin (2E)-8-[2-(4-chlorophenyl)ethyl]…

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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)	6.16	12.1	-9.39	0	4	0	43	445.946	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.16	14.94	-53.95	1	4	1	44	446.954	4	↓ MOL2 SDF SMILES Flexibase

41644271

Analogs

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Popular Name: (2E)-8-[2-(2,4-dichlorophenyl)ethyl]-4-methyl-2-(p-tolylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzox (2E)-8-[2-(2,4-dichlorophenyl)et…

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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)	6.76	12.5	-9.91	0	4	0	43	480.391	4	↓ MOL2 SDF SMILES Flexibase

41644273

Analogs

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

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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	12.13	-9.47	0	4	0	43	445.946	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.11	14.99	-48.69	1	4	1	44	446.954	4	↓ MOL2 SDF SMILES Flexibase

41644309

Analogs

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Popular Name: (2Z)-8-[2-(2-methoxyphenyl)ethyl]-4-methyl-2-(p-tolylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazi (2Z)-8-[2-(2-methoxyphenyl)ethyl…

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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)	5.49	11.08	-10.01	0	5	0	52	441.527	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.49	13.94	-47.82	1	5	1	53	442.535	5	↓ MOL2 SDF SMILES Flexibase

41644347

Analogs

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Popular Name: (2E)-8-[2-(4-fluorophenyl)ethyl]-2-[(4-fluorophenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1,3]b (2E)-8-[2-(4-fluorophenyl)ethyl]…

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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)	5.36	11.03	-10.23	0	4	0	43	433.454	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.36	13.9	-57.04	1	4	1	44	434.462	4	↓ MOL2 SDF SMILES Flexibase

41644353

Analogs

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Popular Name: (2E)-8-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-fluorophenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][ (2E)-8-[2-(3,4-dimethoxyphenyl)e…

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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)	4.84	10.16	-13.27	0	6	0	61	475.516	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.84	13.03	-58.82	1	6	1	62	476.524	6	↓ MOL2 SDF SMILES Flexibase

41644358

Analogs

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Popular Name: (2E)-2-[(4-fluorophenyl)methylene]-8-[2-(4-methoxyphenyl)ethyl]-4-methyl-7,9-dihydrofuro[2,3-f][1,3] (2E)-2-[(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)	5.25	10.26	-10.47	0	5	0	52	445.49	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.25	13.13	-54.42	1	5	1	53	446.498	5	↓ MOL2 SDF SMILES Flexibase

41644375

Analogs

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Popular Name: (2E)-8-[2-(4-chlorophenyl)ethyl]-2-[(4-fluorophenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1,3]b (2E)-8-[2-(4-chlorophenyl)ethyl]…

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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)	5.87	11.48	-9.51	0	4	0	43	449.909	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.87	14.35	-55.76	1	4	1	44	450.917	4	↓ MOL2 SDF SMILES Flexibase

41644384

Analogs

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Popular Name: (2E)-8-[2-(2,4-dichlorophenyl)ethyl]-2-[(4-fluorophenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1 (2E)-8-[2-(2,4-dichlorophenyl)et…

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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)	6.48	11.88	-9.89	0	4	0	43	484.354	4	↓ MOL2 SDF SMILES Flexibase

41644387

Analogs

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

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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)	5.82	11.53	-9.45	0	4	0	43	449.909	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.82	14.38	-49.76	1	4	1	44	450.917	4	↓ MOL2 SDF SMILES Flexibase

41644425

Analogs

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Popular Name: (2Z)-2-[(4-fluorophenyl)methylene]-8-[2-(2-methoxyphenyl)ethyl]-4-methyl-7,9-dihydrofuro[2,3-f][1,3] (2Z)-2-[(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)	5.20	10.49	-9.99	0	5	0	52	445.49	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.20	13.33	-48.93	1	5	1	53	446.498	5	↓ MOL2 SDF SMILES Flexibase

41644464

Analogs

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Popular Name: (2E)-2-[(4-chlorophenyl)methylene]-8-[2-(4-fluorophenyl)ethyl]-4-methyl-7,9-dihydrofuro[2,3-f][1,3]b (2E)-2-[(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)	5.87	11.48	-9.73	0	4	0	43	449.909	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.87	14.33	-56.22	1	4	1	44	450.917	4	↓ MOL2 SDF SMILES Flexibase

41644470

Analogs

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Popular Name: (2E)-2-[(4-chlorophenyl)methylene]-8-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-7,9-dihydrofuro[2,3-f][ (2E)-2-[(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)	5.35	10.61	-12.68	0	6	0	61	491.971	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.35	13.46	-58.07	1	6	1	62	492.979	6	↓ MOL2 SDF SMILES Flexibase

41644476

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-2-[(4-chlorophenyl)methylene]-8-[2-(4-methoxyphenyl)ethyl]-4-methyl-7,9-dihydrofuro[2,3-f][1,3] (2E)-2-[(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)	5.76	10.71	-9.92	0	5	0	52	461.945	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.76	13.56	-53.67	1	5	1	53	462.953	5	↓ MOL2 SDF SMILES Flexibase

41644493

Analogs

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Popular Name: (2E)-8-[2-(4-chlorophenyl)ethyl]-2-[(4-chlorophenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1,3]b (2E)-8-[2-(4-chlorophenyl)ethyl]…

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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	11.93	-8.97	0	4	0	43	466.364	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.38	14.78	-55	1	4	1	44	467.372	4	↓ MOL2 SDF SMILES Flexibase

41644502

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-2-[(4-chlorophenyl)methylene]-8-[2-(2,4-dichlorophenyl)ethyl]-4-methyl-7,9-dihydrofuro[2,3-f][1 (2E)-2-[(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)	6.99	12.33	-9.32	0	4	0	43	500.809	4	↓ MOL2 SDF SMILES Flexibase

41644505

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	6.34	11.97	-8.97	0	4	0	43	466.364	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.34	14.84	-49.28	1	4	1	44	467.372	4	↓ MOL2 SDF SMILES Flexibase

41644544

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(4-chlorophenyl)methylene]-8-[2-(2-methoxyphenyl)ethyl]-4-methyl-7,9-dihydrofuro[2,3-f][1,3] (2Z)-2-[(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)	5.71	10.92	-9.49	0	5	0	52	461.945	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.71	13.79	-48.43	1	5	1	53	462.953	5	↓ MOL2 SDF SMILES Flexibase

41644583

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-2-[(2,4-dichlorophenyl)methylene]-8-[2-(4-fluorophenyl)ethyl]-4-methyl-7,9-dihydrofuro[2,3-f][1 (2E)-2-[(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)	6.48	11.93	-7.77	0	4	0	43	484.354	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.48	14.78	-54.03	1	4	1	44	485.362	4	↓ MOL2 SDF SMILES Flexibase

41644593

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-2-[(2,4-dichlorophenyl)methylene]-8-[2-(4-methoxyphenyl)ethyl]-4-methyl-7,9-dihydrofuro[2,3-f][ (2E)-2-[(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)	6.37	11.16	-7.95	0	5	0	52	496.39	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	6.37	14.01	-51.42	1	5	1	53	497.398	5	↓ MOL2 SDF SMILES Flexibase

41644611

Analogs

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Popular Name: (2E)-8-[2-(4-chlorophenyl)ethyl]-2-[(2,4-dichlorophenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1 (2E)-8-[2-(4-chlorophenyl)ethyl]…

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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)	6.99	12.38	-7.01	0	4	0	43	500.809	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.99	15.23	-52.77	1	4	1	44	501.817	4	↓ MOL2 SDF SMILES Flexibase

41644614

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	6.94	12.4	-7.78	0	4	0	43	500.809	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.94	15.26	-51.48	1	4	1	44	501.817	4	↓ MOL2 SDF SMILES Flexibase

41644653

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(2,4-dichlorophenyl)methylene]-8-[2-(2-methoxyphenyl)ethyl]-4-methyl-7,9-dihydrofuro[2,3-f][ (2Z)-2-[(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)	6.32	11.35	-8.21	0	5	0	52	496.39	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.32	14.22	-50.57	1	5	1	53	497.398	5	↓ MOL2 SDF SMILES Flexibase

41644691

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-2-[(2-chlorophenyl)methylene]-8-[2-(4-fluorophenyl)ethyl]-4-methyl-7,9-dihydrofuro[2,3-f][1,3]b (2E)-2-[(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)	5.82	11.41	-9.05	0	4	0	43	449.909	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.82	14.26	-53.75	1	4	1	44	450.917	4	↓ MOL2 SDF SMILES Flexibase

41644697

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-2-[(2-chlorophenyl)methylene]-8-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-7,9-dihydrofuro[2,3-f][ (2E)-2-[(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)	5.30	10.54	-12.13	0	6	0	61	491.971	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.30	13.39	-55.59	1	6	1	62	492.979	6	↓ MOL2 SDF SMILES Flexibase

41644703

Analogs

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Popular Name: (2E)-2-[(2-chlorophenyl)methylene]-8-[2-(4-methoxyphenyl)ethyl]-4-methyl-7,9-dihydrofuro[2,3-f][1,3] (2E)-2-[(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)	5.71	10.65	-9.34	0	5	0	52	461.945	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.71	13.49	-51.14	1	5	1	53	462.953	5	↓ MOL2 SDF SMILES Flexibase

41644721

Analogs

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Popular Name: (2E)-8-[2-(4-chlorophenyl)ethyl]-2-[(2-chlorophenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1,3]b (2E)-8-[2-(4-chlorophenyl)ethyl]…

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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)	6.34	11.87	-8.36	0	4	0	43	466.364	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.34	14.71	-52.43	1	4	1	44	467.372	4	↓ MOL2 SDF SMILES Flexibase

41644729

Analogs

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Popular Name: (2E)-2-[(2-chlorophenyl)methylene]-8-[2-(2,4-dichlorophenyl)ethyl]-4-methyl-7,9-dihydrofuro[2,3-f][1 (2E)-2-[(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)	6.94	12.26	-8.93	0	4	0	43	500.809	4	↓ MOL2 SDF SMILES Flexibase

41644732

Analogs

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

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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	11.89	-9.26	0	4	0	43	466.364	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.29	14.73	-51.76	1	4	1	44	467.372	4	↓ MOL2 SDF SMILES Flexibase

41644767

Analogs

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Popular Name: (2Z)-2-[(2-chlorophenyl)methylene]-8-[2-(2-methoxyphenyl)ethyl]-4-methyl-7,9-dihydrofuro[2,3-f][1,3] (2Z)-2-[(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)	5.67	10.84	-9.85	0	5	0	52	461.945	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.67	13.69	-50.88	1	5	1	53	462.953	5	↓ MOL2 SDF SMILES Flexibase

41644806

Analogs

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Popular Name: (2E)-8-[2-(4-fluorophenyl)ethyl]-2-[(2-fluorophenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1,3]b (2E)-8-[2-(4-fluorophenyl)ethyl]…

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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	11.02	-9.54	0	4	0	43	433.454	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.31	13.87	-54.17	1	4	1	44	434.462	4	↓ MOL2 SDF SMILES Flexibase

41644812

Analogs

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Popular Name: (2E)-8-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-fluorophenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][ (2E)-8-[2-(3,4-dimethoxyphenyl)e…

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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	10.15	-12.64	0	6	0	61	475.516	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.79	13	-55.96	1	6	1	62	476.524	6	↓ MOL2 SDF SMILES Flexibase

41644818

Analogs

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Popular Name: (2E)-2-[(2-fluorophenyl)methylene]-8-[2-(4-methoxyphenyl)ethyl]-4-methyl-7,9-dihydrofuro[2,3-f][1,3] (2E)-2-[(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)	5.20	10.25	-9.79	0	5	0	52	445.49	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.20	13.1	-51.46	1	5	1	53	446.498	5	↓ MOL2 SDF SMILES Flexibase

41644836

Analogs

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Popular Name: (2E)-8-[2-(4-chlorophenyl)ethyl]-2-[(2-fluorophenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1,3]b (2E)-8-[2-(4-chlorophenyl)ethyl]…

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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)	5.82	11.47	-8.83	0	4	0	43	449.909	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.82	14.32	-52.78	1	4	1	44	450.917	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 329202
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 = 329202 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=329202&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": "329202"        

    });
</script>

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