ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

62977234

Analogs

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.05	13.59	-48.29	1	5	47	487.595	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	6.05	13.48	-11.2	0	5	46	486.587	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.05	16.48	-115.72	2	5	48	488.603	7	↓ MOL2 SDF SMILES Flexibase

62977236

Analogs

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.53	12.71	-53.92	1	7	66	529.657	9	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.53	15.6	-120.77	2	7	67	530.665	9	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.53	12.61	-14.23	0	7	64	528.649	9	↓ MOL2 SDF SMILES Flexibase

62977238

Analogs

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.94	12.81	-51.17	1	6	56	499.631	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.94	15.7	-116.94	2	6	58	500.639	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.94	12.71	-11.4	0	6	55	498.623	8	↓ MOL2 SDF SMILES Flexibase

62977244

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-3-[2-(4-chlorophenyl)ethyl]-7-[[4-(diethylamino)phenyl]methylene]-9-methyl-2,4-dihydrofuro[3,2- (7Z)-3-[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	14.04	-47.62	1	5	47	504.05	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	6.56	13.93	-10.46	0	5	46	503.042	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.56	16.93	-117.73	2	5	48	505.058	7	↓ MOL2 SDF SMILES Flexibase

62977247

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-3-[2-(2-chlorophenyl)ethyl]-7-[[4-(diethylamino)phenyl]methylene]-9-methyl-2,4-dihydrofuro[3,2- (7Z)-3-[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	13.93	-48.62	1	5	47	504.05	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	6.51	13.82	-10.55	0	5	46	503.042	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.51	16.83	-113.08	2	5	48	505.058	7	↓ MOL2 SDF SMILES Flexibase

62977260

Analogs

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.89	12.87	-51.58	1	6	56	499.631	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.89	12.77	-11.11	0	6	55	498.623	8	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.89	15.78	-108.64	2	6	58	500.639	8	↓ MOL2 SDF SMILES Flexibase

41586713

Analogs

41586753
41586757
41587355
41587475
41587536

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-3-[2-(4-fluorophenyl)ethyl]-9-methyl-7-(p-tolylmethylene)-2,4-dihydrofuro[3,2-g][1,3]benzoxazin (7Z)-3-[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	11.86	-10.34	0	4	0	43	429.491	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.64	14.75	-57.71	1	4	1	44	430.499	4	↓ MOL2 SDF SMILES Flexibase

41586715

Analogs

41587357
41587477
41587538
41588021

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-9-methyl-7-(p-tolylmethylene)-2,4-dihydrofuro[3,2-g][1,3]benzo (7Z)-3-[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	10.99	-13.44	0	6	0	61	471.553	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.12	13.87	-59.5	1	6	1	62	472.561	6	↓ MOL2 SDF SMILES Flexibase

41586717

Analogs

41587359
41587479
41587540
41588025

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-3-[2-(4-methoxyphenyl)ethyl]-9-methyl-7-(p-tolylmethylene)-2,4-dihydrofuro[3,2-g][1,3]benzoxazi (7Z)-3-[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	11.09	-10.51	0	5	0	52	441.527	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.53	13.98	-55.05	1	5	1	53	442.535	5	↓ MOL2 SDF SMILES Flexibase

41586723

Analogs

41586796
41587365
41587485
41587546
41588037

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-3-[2-(4-chlorophenyl)ethyl]-9-methyl-7-(p-tolylmethylene)-2,4-dihydrofuro[3,2-g][1,3]benzoxazin (7Z)-3-[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	12.31	-9.61	0	4	0	43	445.946	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.16	15.2	-56.37	1	4	1	44	446.954	4	↓ MOL2 SDF SMILES Flexibase

41586726

Analogs

41586799
41587368
41587488
41587549
41588043

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-3-[2-(2,4-dichlorophenyl)ethyl]-9-methyl-7-(p-tolylmethylene)-2,4-dihydrofuro[3,2-g][1,3]benzox (7Z)-3-[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	12.71	-10.01	0	4	0	43	480.391	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.76	15.6	-54.14	1	4	1	44	481.399	4	↓ MOL2 SDF SMILES Flexibase

41586727

Analogs

41587369
41587489
41587550
41588045

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-3-[2-(2-chlorophenyl)ethyl]-9-methyl-7-(p-tolylmethylene)-2,4-dihydrofuro[3,2-g][1,3]benzoxazin (7Z)-3-[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	12.2	-9.66	0	4	0	43	445.946	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.11	15.09	-50	1	4	1	44	446.954	4	↓ MOL2 SDF SMILES Flexibase

41586740

Analogs

41587382
41587497
41587561
41588071

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-3-[2-(2-methoxyphenyl)ethyl]-9-methyl-7-(p-tolylmethylene)-2,4-dihydrofuro[3,2-g][1,3]benzoxazi (7Z)-3-[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	11.15	-10.07	0	5	0	52	441.527	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.49	14.04	-49.2	1	5	1	53	442.535	5	↓ MOL2 SDF SMILES Flexibase

41586753

Analogs

41586757
41587355
41587475
41587536
41588017

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-3-[2-(4-fluorophenyl)ethyl]-7-[(4-fluorophenyl)methylene]-9-methyl-2,4-dihydrofuro[3,2-g][1,3]b (7Z)-3-[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	11.26	-10.32	0	4	0	43	433.454	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.36	14.14	-58.27	1	4	1	44	434.462	4	↓ MOL2 SDF SMILES Flexibase

41586755

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-7-[(4-fluorophenyl)methylene]-9-methyl-2,4-dihydrofuro[3,2-g][ (7Z)-3-[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	10.39	-13.32	0	6	0	61	475.516	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.84	13.27	-60.1	1	6	1	62	476.524	6	↓ MOL2 SDF SMILES Flexibase

41586757

Analogs

41587355
41587475
41587536
41588017
41586713

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.25	10.49	-10.53	0	5	0	52	445.49	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.25	13.37	-55.63	1	5	1	53	446.498	5	↓ MOL2 SDF SMILES Flexibase

41586763

Analogs

41586786

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-3-[2-(4-chlorophenyl)ethyl]-7-[(4-fluorophenyl)methylene]-9-methyl-2,4-dihydrofuro[3,2-g][1,3]b (7Z)-3-[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	11.71	-9.62	0	4	0	43	449.909	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.87	14.59	-56.94	1	4	1	44	450.917	4	↓ MOL2 SDF SMILES Flexibase

41586766

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-3-[2-(2,4-dichlorophenyl)ethyl]-7-[(4-fluorophenyl)methylene]-9-methyl-2,4-dihydrofuro[3,2-g][1 (7Z)-3-[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	12.11	-9.91	0	4	0	43	484.354	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.48	15	-54.71	1	4	1	44	485.362	4	↓ MOL2 SDF SMILES Flexibase

41586767

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-3-[2-(2-chlorophenyl)ethyl]-7-[(4-fluorophenyl)methylene]-9-methyl-2,4-dihydrofuro[3,2-g][1,3]b (7Z)-3-[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	11.6	-9.56	0	4	0	43	449.909	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.82	14.49	-50.5	1	4	1	44	450.917	4	↓ MOL2 SDF SMILES Flexibase

41586778

Analogs

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.20	10.55	-10.1	0	5	0	52	445.49	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.20	13.44	-49.71	1	5	1	53	446.498	5	↓ MOL2 SDF SMILES Flexibase

41586786

Analogs

41586763

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.87	11.71	-9.81	0	4	0	43	449.909	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.87	14.58	-57.83	1	4	1	44	450.917	4	↓ MOL2 SDF SMILES Flexibase

41586788

Analogs

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.35	10.84	-12.85	0	6	0	61	491.971	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.35	13.71	-59.68	1	6	1	62	492.979	6	↓ MOL2 SDF SMILES Flexibase

41586790

Analogs

41586796
41587365
41587485
41587546

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.76	10.94	-10.05	0	5	0	52	461.945	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.76	13.81	-55.22	1	5	1	53	462.953	5	↓ MOL2 SDF SMILES Flexibase

41586796

Analogs

41587365
41587485
41587546
41588037
41586723

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-3-[2-(4-chlorophenyl)ethyl]-7-[(4-chlorophenyl)methylene]-9-methyl-2,4-dihydrofuro[3,2-g][1,3]b (7Z)-3-[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	12.16	-9.12	0	4	0	43	466.364	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.38	15.03	-56.5	1	4	1	44	467.372	4	↓ MOL2 SDF SMILES Flexibase

41586799

Analogs

41587368
41587488
41587549
41588043
41586726

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.99	12.56	-9.41	0	4	0	43	500.809	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.99	15.44	-54.23	1	4	1	44	501.817	4	↓ MOL2 SDF SMILES Flexibase

41586800

Analogs

41587369
41587489
41587550

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-3-[2-(2-chlorophenyl)ethyl]-7-[(4-chlorophenyl)methylene]-9-methyl-2,4-dihydrofuro[3,2-g][1,3]b (7Z)-3-[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	12.05	-9.08	0	4	0	43	466.364	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.34	14.93	-50.07	1	4	1	44	467.372	4	↓ MOL2 SDF SMILES Flexibase

41586813

Analogs

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.71	11	-9.58	0	5	0	52	461.945	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.71	13.88	-49.26	1	5	1	53	462.953	5	↓ MOL2 SDF SMILES Flexibase

41586826

Analogs

41587319

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-7-[(2,4-dichlorophenyl)methylene]-3-[2-(4-fluorophenyl)ethyl]-9-methyl-2,4-dihydrofuro[3,2-g][1 (7Z)-7-[(2,4-dichlorophenyl)meth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.48	12.15	-8.61	0	4	0	43	484.354	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.48	15.01	-57.94	1	4	1	44	485.362	4	↓ MOL2 SDF SMILES Flexibase

41586829

Analogs

41587322
41587328

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-7-[(2,4-dichlorophenyl)methylene]-3-[2-(4-methoxyphenyl)ethyl]-9-methyl-2,4-dihydrofuro[3,2-g][ (7Z)-7-[(2,4-dichlorophenyl)meth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.37	11.38	-8.78	0	5	0	52	496.39	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	6.37	14.24	-55.27	1	5	1	53	497.398	5	↓ MOL2 SDF SMILES Flexibase

41586835

Analogs

41587328

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-3-[2-(4-chlorophenyl)ethyl]-7-[(2,4-dichlorophenyl)methylene]-9-methyl-2,4-dihydrofuro[3,2-g][1 (7Z)-3-[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	12.6	-7.86	0	4	0	43	500.809	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.99	15.47	-56.64	1	4	1	44	501.817	4	↓ MOL2 SDF SMILES Flexibase

41586836

Analogs

41586875
41587329

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-3-[2-(2-chlorophenyl)ethyl]-7-[(2,4-dichlorophenyl)methylene]-9-methyl-2,4-dihydrofuro[3,2-g][1 (7Z)-3-[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	12.48	-7.78	0	4	0	43	500.809	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.94	15.36	-50.13	1	4	1	44	501.817	4	↓ MOL2 SDF SMILES Flexibase

41586849

Analogs

41587342

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-7-[(2,4-dichlorophenyl)methylene]-3-[2-(2-methoxyphenyl)ethyl]-9-methyl-2,4-dihydrofuro[3,2-g][ (7Z)-7-[(2,4-dichlorophenyl)meth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.32	11.43	-8.32	0	5	0	52	496.39	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	6.32	14.31	-49.28	1	5	1	53	497.398	5	↓ MOL2 SDF SMILES Flexibase

41586862

Analogs

41587319

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.82	11.64	-10.17	0	4	0	43	449.909	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.82	14.51	-58.67	1	4	1	44	450.917	4	↓ MOL2 SDF SMILES Flexibase

41586864

Analogs

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.30	10.76	-13.19	0	6	0	61	491.971	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.30	13.64	-60.47	1	6	1	62	492.979	6	↓ MOL2 SDF SMILES Flexibase

41586866

Analogs

41586872
41587322

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.71	10.87	-10.33	0	5	0	52	461.945	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.71	13.74	-56.02	1	5	1	53	462.953	5	↓ MOL2 SDF SMILES Flexibase

41586872

Analogs

41587328
41586866

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-3-[2-(4-chlorophenyl)ethyl]-7-[(2-chlorophenyl)methylene]-9-methyl-2,4-dihydrofuro[3,2-g][1,3]b (7Z)-3-[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	12.09	-9.5	0	4	0	43	466.364	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.34	14.96	-57.34	1	4	1	44	467.372	4	↓ MOL2 SDF SMILES Flexibase

41586875

Analogs

41587329
41586836

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.94	12.48	-9.86	0	4	0	43	500.809	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.94	15.37	-55.14	1	4	1	44	501.817	4	↓ MOL2 SDF SMILES Flexibase

41586876

Analogs

41587329

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-3-[2-(2-chlorophenyl)ethyl]-7-[(2-chlorophenyl)methylene]-9-methyl-2,4-dihydrofuro[3,2-g][1,3]b (7Z)-3-[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	11.97	-9.43	0	4	0	43	466.364	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.29	14.86	-50.93	1	4	1	44	467.372	4	↓ MOL2 SDF SMILES Flexibase

41586889

Analogs

41587342

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.67	10.92	-9.84	0	5	0	52	461.945	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.67	13.81	-50.01	1	5	1	53	462.953	5	↓ MOL2 SDF SMILES Flexibase

41586902

Analogs

41586906

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-3-[2-(4-fluorophenyl)ethyl]-7-[(2-fluorophenyl)methylene]-9-methyl-2,4-dihydrofuro[3,2-g][1,3]b (7Z)-3-[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	11.25	-10.69	0	4	0	43	433.454	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.31	14.13	-59.23	1	4	1	44	434.462	4	↓ MOL2 SDF SMILES Flexibase

41586904

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-7-[(2-fluorophenyl)methylene]-9-methyl-2,4-dihydrofuro[3,2-g][ (7Z)-3-[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	10.38	-13.75	0	6	0	61	475.516	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.79	13.26	-61.05	1	6	1	62	476.524	6	↓ MOL2 SDF SMILES Flexibase

41586906

Analogs

41586902

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.20	10.48	-10.87	0	5	0	52	445.49	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.20	13.36	-56.61	1	5	1	53	446.498	5	↓ MOL2 SDF SMILES Flexibase

41586912

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-3-[2-(4-chlorophenyl)ethyl]-7-[(2-fluorophenyl)methylene]-9-methyl-2,4-dihydrofuro[3,2-g][1,3]b (7Z)-3-[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	11.7	-10.05	0	4	0	43	449.909	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.82	14.58	-57.95	1	4	1	44	450.917	4	↓ MOL2 SDF SMILES Flexibase

41586915

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-3-[2-(2,4-dichlorophenyl)ethyl]-7-[(2-fluorophenyl)methylene]-9-methyl-2,4-dihydrofuro[3,2-g][1 (7Z)-3-[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)	6.43	12.1	-10.42	0	4	0	43	484.354	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.43	14.99	-55.7	1	4	1	44	485.362	4	↓ MOL2 SDF SMILES Flexibase

41586916

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-3-[2-(2-chlorophenyl)ethyl]-7-[(2-fluorophenyl)methylene]-9-methyl-2,4-dihydrofuro[3,2-g][1,3]b (7Z)-3-[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)	5.77	11.59	-10.01	0	4	0	43	449.909	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.77	14.48	-51.46	1	4	1	44	450.917	4	↓ MOL2 SDF SMILES Flexibase

41586926

Analogs

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.15	10.54	-10.37	0	5	0	52	445.49	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.15	13.43	-50.57	1	5	1	53	446.498	5	↓ MOL2 SDF SMILES Flexibase

41586934

Analogs

41587138
41587395

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-3-[2-(4-fluorophenyl)ethyl]-7-[(2-methoxyphenyl)methylene]-9-methyl-2,4-dihydrofuro[3,2-g][1,3] (7Z)-3-[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)	5.20	10.57	-11.71	0	5	0	52	445.49	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.20	13.45	-59.13	1	5	1	53	446.498	5	↓ MOL2 SDF SMILES Flexibase

41586936

Analogs

41587140
41587397
41588389

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-7-[(2-methoxyphenyl)methylene]-9-methyl-2,4-dihydrofuro[3,2-g] (7Z)-3-[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)	4.68	9.7	-14.74	0	7	0	70	487.552	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.68	12.58	-60.89	1	7	1	72	488.56	7	↓ MOL2 SDF SMILES Flexibase

41586938

Analogs

41587142
41587399

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-3-[2-(4-methoxyphenyl)ethyl]-7-[(2-methoxyphenyl)methylene]-9-methyl-2,4-dihydrofuro[3,2-g][1,3 (7Z)-3-[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)	5.09	9.8	-11.89	0	6	0	61	457.526	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.09	12.68	-56.5	1	6	1	62	458.534	6	↓ MOL2 SDF SMILES Flexibase

41586944

Analogs

41587148
41587405

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-3-[2-(4-chlorophenyl)ethyl]-7-[(2-methoxyphenyl)methylene]-9-methyl-2,4-dihydrofuro[3,2-g][1,3] (7Z)-3-[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)	5.71	11.02	-11	0	5	0	52	461.945	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.71	13.9	-57.74	1	5	1	53	462.953	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 325163
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 = 325163 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=325163&filter.purchasability=annotated

Embed Link to Results

<div id="zinc-link"></div>
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