ZINC 12

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Quick Search ZINC ID or SMILES

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ZINC Item

Suppliers, Protomers, & Similar Substances

41650527

Analogs

8993131
20648888

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-8-[2-(4-fluorophenyl)ethyl]-4-methyl-2-[(1-methylindol-3-yl)methylene]-7,9-dihydrofuro[2,3-f][1 (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)	5.41	12.66	-11.79	0	5	0	48	468.528	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.41	15.51	-55.79	1	5	1	49	469.536	4	↓ MOL2 SDF SMILES Flexibase

41650537

Analogs

13728434
28182425
9423544

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-8-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-2-[(1-methylindol-3-yl)methylene]-7,9-dihydrofuro[2,3 (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)	4.89	11.79	-15	0	7	0	66	510.59	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.89	14.64	-57.64	1	7	1	67	511.598	6	↓ MOL2 SDF SMILES Flexibase

41650547

Analogs

9423544
20648888

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-8-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-[(1-methylindol-3-yl)methylene]-7,9-dihydrofuro[2,3-f][ (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)	5.30	11.89	-12.15	0	6	0	57	480.564	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.30	14.74	-53.21	1	6	1	58	481.572	5	↓ MOL2 SDF SMILES Flexibase

41650579

Analogs

9423544
20648888

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-8-[2-(4-chlorophenyl)ethyl]-4-methyl-2-[(1-methylindol-3-yl)methylene]-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)	5.92	13.11	-11.11	0	5	0	48	484.983	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.92	15.96	-54.52	1	5	1	49	485.991	4	↓ MOL2 SDF SMILES Flexibase

41650596

Analogs

20648888
28182425
9423544

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-8-[2-(2,4-dichlorophenyl)ethyl]-4-methyl-2-[(1-methylindol-3-yl)methylene]-7,9-dihydrofuro[2,3- (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)	6.53	13.51	-11.77	0	5	0	48	519.428	4	↓ MOL2 SDF SMILES Flexibase

41650601

Analogs

28182425
9423544
20648888

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[2-(2-chlorophenyl)ethyl]-4-methyl-2-[(1-methylindol-3-yl)methylene]-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)	5.88	13.18	-12.27	0	5	0	48	484.983	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.88	16.03	-55.05	1	5	1	49	485.991	4	↓ MOL2 SDF SMILES Flexibase

41650665

Analogs

20648888
28182425
9423544

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[2-(2-methoxyphenyl)ethyl]-4-methyl-2-[(1-methylindol-3-yl)methylene]-7,9-dihydrofuro[2,3-f][ (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)	5.25	12.13	-12.93	0	6	0	57	480.564	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.25	14.99	-54.32	1	6	1	58	481.572	5	↓ MOL2 SDF SMILES Flexibase

41650735

Analogs

20625037

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.79	13.58	-11.49	0	5	0	48	482.555	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.79	16.44	-55.34	1	5	1	49	483.563	5	↓ MOL2 SDF SMILES Flexibase

41650746

Analogs

20625037

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-8-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(1-ethylindol-3-yl)methylene]-4-methyl-7,9-dihydrofuro[2,3- (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)	5.27	12.71	-14.55	0	7	0	66	524.617	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.27	15.56	-57.17	1	7	1	67	525.625	7	↓ MOL2 SDF SMILES Flexibase

41650755

Analogs

28182775
20625037

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-2-[(1-ethylindol-3-yl)methylene]-8-[2-(4-methoxyphenyl)ethyl]-4-methyl-7,9-dihydrofuro[2,3-f][1 (2E)-2-[(1-ethylindol-3-yl)methy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.68	12.81	-11.79	0	6	0	57	494.591	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.68	15.66	-52.78	1	6	1	58	495.599	6	↓ MOL2 SDF SMILES Flexibase

41650788

Analogs

28182775
20625037

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-8-[2-(4-chlorophenyl)ethyl]-2-[(1-ethylindol-3-yl)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)	6.30	14.03	-10.79	0	5	0	48	499.01	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.30	16.88	-54.09	1	5	1	49	500.018	5	↓ MOL2 SDF SMILES Flexibase

41650803

Analogs

20625037

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[2-(2-chlorophenyl)ethyl]-2-[(1-ethylindol-3-yl)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)	6.25	14.1	-11.94	0	5	0	48	499.01	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.25	16.97	-54.93	1	5	1	49	500.018	5	↓ MOL2 SDF SMILES Flexibase

41650874

Analogs

20625037

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(1-ethylindol-3-yl)methylene]-8-[2-(2-methoxyphenyl)ethyl]-4-methyl-7,9-dihydrofuro[2,3-f][1 (2Z)-2-[(1-ethylindol-3-yl)methy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.63	13.05	-12.57	0	6	0	57	494.591	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.63	15.92	-54.19	1	6	1	58	495.599	6	↓ MOL2 SDF SMILES Flexibase

41650938

Analogs

9422256
8993236
20648018

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-8-[2-(4-fluorophenyl)ethyl]-2-[(5-methoxy-1-methyl-indol-3-yl)methylene]-4-methyl-7,9-dihydrofu (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)	5.44	11.95	-13.3	0	6	0	57	498.554	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.44	14.8	-56.39	1	6	1	58	499.562	5	↓ MOL2 SDF SMILES Flexibase

41650955

Analogs

9422256
8993236
28182443

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-2-[(5-methoxy-1-methyl-indol-3-yl)methylene]-8-[2-(4-methoxyphenyl)ethyl]-4-methyl-7,9-dihydrof (2E)-2-[(5-methoxy-1-methyl-indo…

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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)	5.34	11.18	-13.63	0	7	0	66	510.59	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.34	14.03	-53.75	1	7	1	67	511.598	6	↓ MOL2 SDF SMILES Flexibase

41650989

Analogs

9422256
8993236
20648018

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-8-[2-(4-chlorophenyl)ethyl]-2-[(5-methoxy-1-methyl-indol-3-yl)methylene]-4-methyl-7,9-dihydrofu (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)	5.96	12.4	-12.58	0	6	0	57	515.009	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.96	15.25	-55.11	1	6	1	58	516.017	5	↓ MOL2 SDF SMILES Flexibase

41650994

Analogs

9422256
9422266

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[2-(2-chlorophenyl)ethyl]-2-[(5-methoxy-1-methyl-indol-3-yl)methylene]-4-methyl-7,9-dihydrofu (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)	5.91	12.47	-14.27	0	6	0	57	515.009	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.91	15.33	-58	1	6	1	58	516.017	5	↓ MOL2 SDF SMILES Flexibase

41651062

Analogs

9422256
8993236
28182443

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(5-methoxy-1-methyl-indol-3-yl)methylene]-8-[2-(2-methoxyphenyl)ethyl]-4-methyl-7,9-dihydrof (2Z)-2-[(5-methoxy-1-methyl-indo…

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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)	5.29	11.42	-14.89	0	7	0	66	510.59	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.29	14.28	-57.3	1	7	1	67	511.598	6	↓ MOL2 SDF SMILES Flexibase

41651139

Analogs

9422797
28182816
20647759

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-2-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-8-[2-(4-fluorophenyl)ethyl]-4-methyl-7,9-dihydrofur (2E)-2-[(1-ethyl-5-methoxy-indol…

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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	12.87	-12.94	0	6	0	57	512.581	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.82	15.72	-55.98	1	6	1	58	513.589	6	↓ MOL2 SDF SMILES Flexibase

41651153

Analogs

9422797
28182816
20647759

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-2-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-8-[2-(4-methoxyphenyl)ethyl]-4-methyl-7,9-dihydrofu (2E)-2-[(1-ethyl-5-methoxy-indol…

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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	12.09	-13.21	0	7	0	66	524.617	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.71	14.95	-53.41	1	7	1	67	525.625	7	↓ MOL2 SDF SMILES Flexibase

41651178

Analogs

28182816
9422797
20647759

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-8-[2-(4-chlorophenyl)ethyl]-2-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-4-methyl-7,9-dihydrofur (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)	6.33	13.32	-12.19	0	6	0	57	529.036	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.33	16.17	-54.7	1	6	1	58	530.044	6	↓ MOL2 SDF SMILES Flexibase

41651183

Analogs

28182816
9422797
20647759

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[2-(2-chlorophenyl)ethyl]-2-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-4-methyl-7,9-dihydrofur (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	13.38	-13.93	0	6	0	57	529.036	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.29	16.25	-57.77	1	6	1	58	530.044	6	↓ MOL2 SDF SMILES Flexibase

41651250

Analogs

28182816
9422797
20647759

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-8-[2-(2-methoxyphenyl)ethyl]-4-methyl-7,9-dihydrofu (2Z)-2-[(1-ethyl-5-methoxy-indol…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.66	12.34	-14.48	0	7	0	66	524.617	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.66	15.2	-57.12	1	7	1	67	525.625	7	↓ MOL2 SDF SMILES Flexibase

41661738

Analogs

8993131
9423575
9422870

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[2-(4-fluorophenyl)ethyl]-2-[(1-methylindol-3-yl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzox (2Z)-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)	5.03	12.19	-13.38	0	5	0	48	454.501	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.03	15.04	-63.7	1	5	1	49	455.509	4	↓ MOL2 SDF SMILES Flexibase

41661750

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(1-methylindol-3-yl)methylene]-7,9-dihydrofuro[2,3-f][1,3]b (2Z)-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)	4.52	11.32	-16.22	0	7	0	66	496.563	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.52	14.17	-65.36	1	7	1	67	497.571	6	↓ MOL2 SDF SMILES Flexibase

41661761

Analogs

9423575
9422870
9422227

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[2-(4-methoxyphenyl)ethyl]-2-[(1-methylindol-3-yl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzo (2Z)-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)	4.93	11.42	-13.55	0	6	0	57	466.537	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.93	14.27	-60.96	1	6	1	58	467.545	5	↓ MOL2 SDF SMILES Flexibase

41661798

Analogs

9423575
9422870
9422227

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[2-(4-chlorophenyl)ethyl]-2-[(1-methylindol-3-yl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzox (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	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.55	12.64	-12.62	0	5	0	48	470.956	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.55	15.49	-62.46	1	5	1	49	471.964	4	↓ MOL2 SDF SMILES Flexibase

41661815

Analogs

9422227
9423544

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[2-(2,4-dichlorophenyl)ethyl]-2-[(1-methylindol-3-yl)methylene]-7,9-dihydrofuro[2,3-f][1,3]be (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)	6.15	13.04	-12.79	0	5	0	48	505.401	4	↓ MOL2 SDF SMILES Flexibase

41661821

Analogs

9422227
9423544

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[2-(2-chlorophenyl)ethyl]-2-[(1-methylindol-3-yl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzox (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)	5.50	12.53	-12.42	0	5	0	48	470.956	4	↓ MOL2 SDF SMILES Flexibase

41661898

Analogs

9423575
9422227
9422870

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[2-(2-methoxyphenyl)ethyl]-2-[(1-methylindol-3-yl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzo (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)	4.88	11.48	-12.95	0	6	0	57	466.537	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.88	14.34	-54.69	1	6	1	58	467.545	5	↓ MOL2 SDF SMILES Flexibase

41661973

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(1-ethylindol-3-yl)methylene]-8-[2-(4-fluorophenyl)ethyl]-7,9-dihydrofuro[2,3-f][1,3]benzoxa (2Z)-2-[(1-ethylindol-3-yl)methy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.41	13.11	-12.93	0	5	0	48	468.528	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.41	15.97	-63.69	1	5	1	49	469.536	5	↓ MOL2 SDF SMILES Flexibase

41661985

Analogs

8992305
9423914
9423312

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(1-ethylindol-3-yl)methylene]-7,9-dihydrofuro[2,3-f][1,3]be (2Z)-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)	4.89	12.24	-15.84	0	7	0	66	510.59	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.89	15.1	-65.29	1	7	1	67	511.598	7	↓ MOL2 SDF SMILES Flexibase

41661996

Analogs

8992305
9423312
9423914

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(1-ethylindol-3-yl)methylene]-8-[2-(4-methoxyphenyl)ethyl]-7,9-dihydrofuro[2,3-f][1,3]benzox (2Z)-2-[(1-ethylindol-3-yl)methy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.30	12.34	-13.17	0	6	0	57	480.564	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.30	15.2	-60.89	1	6	1	58	481.572	6	↓ MOL2 SDF SMILES Flexibase

41662035

Analogs

8992305
9423312
9423914

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[2-(4-chlorophenyl)ethyl]-2-[(1-ethylindol-3-yl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzoxa (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	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.92	13.56	-12.17	0	5	0	48	484.983	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.92	16.42	-62.4	1	5	1	49	485.991	5	↓ MOL2 SDF SMILES Flexibase

41662051

Analogs

28182775
20625037

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[2-(2,4-dichlorophenyl)ethyl]-2-[(1-ethylindol-3-yl)methylene]-7,9-dihydrofuro[2,3-f][1,3]ben (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)	6.53	13.96	-12.46	0	5	0	48	519.428	5	↓ MOL2 SDF SMILES Flexibase

41662057

Analogs

9423312
9423344
28182849

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[2-(2-chlorophenyl)ethyl]-2-[(1-ethylindol-3-yl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzoxa (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)	5.88	13.45	-12.06	0	5	0	48	484.983	5	↓ MOL2 SDF SMILES Flexibase

41662132

Analogs

8992305
28182775
20625037

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(1-ethylindol-3-yl)methylene]-8-[2-(2-methoxyphenyl)ethyl]-7,9-dihydrofuro[2,3-f][1,3]benzox (2Z)-2-[(1-ethylindol-3-yl)methy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.25	12.4	-12.65	0	6	0	57	480.564	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.25	15.27	-54.56	1	6	1	58	481.572	6	↓ MOL2 SDF SMILES Flexibase

41662215

Analogs

8993236
9421045
9423120

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[2-(4-fluorophenyl)ethyl]-2-[(5-methoxy-1-methyl-indol-3-yl)methylene]-7,9-dihydrofuro[2,3-f] (2Z)-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)	5.07	11.48	-15.46	0	6	0	57	484.527	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.07	14.34	-66.91	1	6	1	58	485.535	5	↓ MOL2 SDF SMILES Flexibase

41662228

Analogs

8993236
13728434
9421045

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(5-methoxy-1-methyl-indol-3-yl)methylene]-7,9-dihydrofuro[2 (2Z)-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)	4.55	10.61	-18.28	0	8	0	75	526.589	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.55	13.47	-68.4	1	8	1	77	527.597	7	↓ MOL2 SDF SMILES Flexibase

41662242

Analogs

8993236
9423120
9421045

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(5-methoxy-1-methyl-indol-3-yl)methylene]-8-[2-(4-methoxyphenyl)ethyl]-7,9-dihydrofuro[2,3-f (2Z)-2-[(5-methoxy-1-methyl-indo…

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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	10.71	-15.48	0	7	0	66	496.563	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.96	13.57	-64.06	1	7	1	67	497.571	6	↓ MOL2 SDF SMILES Flexibase

41662283

Analogs

8993236
9423120
9421045

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[2-(4-chlorophenyl)ethyl]-2-[(5-methoxy-1-methyl-indol-3-yl)methylene]-7,9-dihydrofuro[2,3-f] (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	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.58	11.93	-14.7	0	6	0	57	500.982	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.58	14.79	-65.52	1	6	1	58	501.99	5	↓ MOL2 SDF SMILES Flexibase

41662304

Analogs

9423120
9422256
28182440

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[2-(2-chlorophenyl)ethyl]-2-[(5-methoxy-1-methyl-indol-3-yl)methylene]-7,9-dihydrofuro[2,3-f] (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)	5.53	11.82	-14.39	0	6	0	57	500.982	5	↓ MOL2 SDF SMILES Flexibase

41662391

Analogs

8993236
28182443
20648018

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(5-methoxy-1-methyl-indol-3-yl)methylene]-8-[2-(2-methoxyphenyl)ethyl]-7,9-dihydrofuro[2,3-f (2Z)-2-[(5-methoxy-1-methyl-indo…

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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	10.77	-15.09	0	7	0	66	496.563	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.91	13.64	-57.69	1	7	1	67	497.571	6	↓ MOL2 SDF SMILES Flexibase

41662485

Analogs

9422207
9420601
9422151

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-8-[2-(4-fluorophenyl)ethyl]-7,9-dihydrofuro[2,3-f][ (2Z)-2-[(1-ethyl-5-methoxy-indol…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.44	12.4	-14.98	0	6	0	57	498.554	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.44	15.26	-66.63	1	6	1	58	499.562	6	↓ MOL2 SDF SMILES Flexibase

41662505

Analogs

9422207
28182851
9420601

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-8-[2-(4-methoxyphenyl)ethyl]-7,9-dihydrofuro[2,3-f] (2Z)-2-[(1-ethyl-5-methoxy-indol…

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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)	5.34	11.62	-15.18	0	7	0	66	510.59	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.34	14.48	-63.88	1	7	1	67	511.598	7	↓ MOL2 SDF SMILES Flexibase

41662548

Analogs

9422207
28182851
9420601

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[2-(4-chlorophenyl)ethyl]-2-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-7,9-dihydrofuro[2,3-f][ (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	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.96	12.85	-14.27	0	6	0	57	515.009	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.96	15.7	-65.37	1	6	1	58	516.017	6	↓ MOL2 SDF SMILES Flexibase

41662555

Analogs

28182851
9422151
28182816

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[2-(2-chlorophenyl)ethyl]-2-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-7,9-dihydrofuro[2,3-f][ (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)	5.91	12.73	-13.98	0	6	0	57	515.009	6	↓ MOL2 SDF SMILES Flexibase

41662650

Analogs

28182806
20647759
9422207

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-8-[2-(2-methoxyphenyl)ethyl]-7,9-dihydrofuro[2,3-f] (2Z)-2-[(1-ethyl-5-methoxy-indol…

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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)	5.29	11.69	-14.63	0	7	0	66	510.59	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.29	14.55	-57.4	1	7	1	67	511.598	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 561836
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 = 561836 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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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": "561836"        

    });
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