ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

41650532

Analogs

9423575
9423948
9422870

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-4-methyl-2-[(1-methylindol-3-yl)methylene]-8-(p-tolylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxa (2Z)-4-methyl-2-[(1-methylindol-…

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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	12.59	-11.89	0	5	0	48	450.538	3	↓ MOL2 SDF SMILES Flexibase

41650542

Analogs

20647485
9423948
9423575

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.47	12.55	-12.67	0	5	0	48	470.956	3	↓ MOL2 SDF SMILES Flexibase

41650553

Analogs

9423575
9423948
9422227

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.00	12	-13.56	0	5	0	48	454.501	3	↓ MOL2 SDF SMILES Flexibase

41650559

Analogs

9423575
9423948
9422227

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.52	12.45	-12.88	0	5	0	48	470.956	3	↓ MOL2 SDF SMILES Flexibase

41650564

Analogs

9423948
9423575
9422227

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[(3,4-dimethoxyphenyl)methyl]-4-methyl-2-[(1-methylindol-3-yl)methylene]-7,9-dihydrofuro[2,3- (2Z)-8-[(3,4-dimethoxyphenyl)met…

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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)	4.49	11.12	-16.25	0	7	0	66	496.563	5	↓ MOL2 SDF SMILES Flexibase

41650585

Analogs

20647485
9423948
9423575

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[(2,4-dichlorophenyl)methyl]-4-methyl-2-[(1-methylindol-3-yl)methylene]-7,9-dihydrofuro[2,3-f (2Z)-8-[(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)	6.12	13.05	-13.25	0	5	0	48	505.401	3	↓ MOL2 SDF SMILES Flexibase

41650590

Analogs

9423575
9423948
9422870

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[(3,4-dichlorophenyl)methyl]-4-methyl-2-[(1-methylindol-3-yl)methylene]-7,9-dihydrofuro[2,3-f (2Z)-8-[(3,4-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)	6.12	12.9	-13.69	0	5	0	48	505.401	3	↓ MOL2 SDF SMILES Flexibase

41650603

Analogs

9423948
9423575
9422227

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-4-methyl-2-[(1-methylindol-3-yl)methylene]-8-[(1S)-1-phenylethyl]-7,9-dihydrofuro[2,3-f][1,3]be (2Z)-4-methyl-2-[(1-methylindol-…

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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)	5.40	12.98	-11.1	0	5	0	48	450.538	3	↓ MOL2 SDF SMILES Flexibase

41650608

Analogs

9423948
9423575
9422227

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-4-methyl-2-[(1-methylindol-3-yl)methylene]-8-[(1R)-1-phenylethyl]-7,9-dihydrofuro[2,3-f][1,3]be (2Z)-4-methyl-2-[(1-methylindol-…

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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)	5.40	12.83	-11.16	0	5	0	48	450.538	3	↓ MOL2 SDF SMILES Flexibase

41650659

Analogs

9423575
9423948
9422870

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-benzyl-4-methyl-2-[(1-methylindol-3-yl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-benzyl-4-methyl-2-[(1-met…

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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	11.93	-11.94	0	5	0	48	436.511	3	↓ MOL2 SDF SMILES Flexibase

41650712

Analogs

9423575
9423948
9422870

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.90	11.22	-13.83	0	6	0	57	466.537	4	↓ MOL2 SDF SMILES Flexibase

41650725

Analogs

9423575
9423948
9422870

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.85	11.36	-12.88	0	6	0	57	466.537	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.85	14.24	-50.85	1	6	1	58	467.545	4	↓ MOL2 SDF SMILES Flexibase

41650741

Analogs

8992305
9423405
20625037

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(1-ethylindol-3-yl)methylene]-4-methyl-8-(p-tolylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxaz (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)	5.66	13.53	-11.6	0	5	0	48	464.565	4	↓ MOL2 SDF SMILES Flexibase

41650751

Analogs

8992305
9423405
20625037

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.85	13.46	-12.37	0	5	0	48	484.983	4	↓ MOL2 SDF SMILES Flexibase

41650760

Analogs

8992305
9423405
28182775

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(1-ethylindol-3-yl)methylene]-8-[(4-fluorophenyl)methyl]-4-methyl-7,9-dihydrofuro[2,3-f][1,3 (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)	5.38	12.92	-13.33	0	5	0	48	468.528	4	↓ MOL2 SDF SMILES Flexibase

41650766

Analogs

8992305
9423405
20625037

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.89	13.37	-12.5	0	5	0	48	484.983	4	↓ MOL2 SDF SMILES Flexibase

41650770

Analogs

9423405
8992305
28182775

Draw Identity 99% 90% 80% 70%

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

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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)	4.86	12.04	-15.89	0	7	0	66	510.59	6	↓ MOL2 SDF SMILES Flexibase

41650793

Analogs

9423405
8992305
28182775

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[(2,4-dichlorophenyl)methyl]-2-[(1-ethylindol-3-yl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f] (2Z)-8-[(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)	6.50	13.97	-12.97	0	5	0	48	519.428	4	↓ MOL2 SDF SMILES Flexibase

41650797

Analogs

8992305
9423405
20625037

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[(3,4-dichlorophenyl)methyl]-2-[(1-ethylindol-3-yl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f] (2Z)-8-[(3,4-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)	6.50	13.82	-13.36	0	5	0	48	519.428	4	↓ MOL2 SDF SMILES Flexibase

41650809

Analogs

9423405
8992305
28182775

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(1-ethylindol-3-yl)methylene]-4-methyl-8-[(1S)-1-phenylethyl]-7,9-dihydrofuro[2,3-f][1,3]ben (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)	5.78	13.9	-10.76	0	5	0	48	464.565	4	↓ MOL2 SDF SMILES Flexibase

41650815

Analogs

9423405
8992305
28182775

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(1-ethylindol-3-yl)methylene]-4-methyl-8-[(1R)-1-phenylethyl]-7,9-dihydrofuro[2,3-f][1,3]ben (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)	5.78	13.73	-11.02	0	5	0	48	464.565	4	↓ MOL2 SDF SMILES Flexibase

41650867

Analogs

8992305
9423405
20625037

Draw Identity 99% 90% 80% 70%

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

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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)	5.22	12.85	-11.59	0	5	0	48	450.538	4	↓ MOL2 SDF SMILES Flexibase

41650918

Analogs

8992305
9423405
20625037

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(1-ethylindol-3-yl)methylene]-8-[(4-methoxyphenyl)methyl]-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)	5.27	12.14	-13.46	0	6	0	57	480.564	5	↓ MOL2 SDF SMILES Flexibase

41650929

Analogs

8992305
9423405
20625037

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(1-ethylindol-3-yl)methylene]-8-[(2-methoxyphenyl)methyl]-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)	5.22	12.28	-12.54	0	6	0	57	480.564	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.22	15.16	-50.8	1	6	1	58	481.572	5	↓ MOL2 SDF SMILES Flexibase

41650943

Analogs

28182429
8993236
9422086

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(5-methoxy-1-methyl-indol-3-yl)methylene]-4-methyl-8-(p-tolylmethyl)-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)	5.32	11.88	-14.01	0	6	0	57	480.564	4	↓ MOL2 SDF SMILES Flexibase

41650949

Analogs

28182429
8993236
9422086

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.50	11.83	-14.7	0	6	0	57	500.982	4	↓ MOL2 SDF SMILES Flexibase

41650959

Analogs

9422086
28182429
8993236

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.04	11.29	-15.9	0	6	0	57	484.527	4	↓ MOL2 SDF SMILES Flexibase

41650964

Analogs

28182429
8993236
9422086

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.55	11.74	-15.04	0	6	0	57	500.982	4	↓ MOL2 SDF SMILES Flexibase

41650969

Analogs

9422086
28182429
8993236

Draw Identity 99% 90% 80% 70%

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

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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	10.41	-18.46	0	8	0	75	526.589	6	↓ MOL2 SDF SMILES Flexibase

41650999

Analogs

9422086
28182429
8993236

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(5-methoxy-1-methyl-indol-3-yl)methylene]-4-methyl-8-[(1S)-1-phenylethyl]-7,9-dihydrofuro[2, (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)	5.43	12.27	-13.24	0	6	0	57	480.564	4	↓ MOL2 SDF SMILES Flexibase

41651004

Analogs

9422086
28182429
8993236

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(5-methoxy-1-methyl-indol-3-yl)methylene]-4-methyl-8-[(1R)-1-phenylethyl]-7,9-dihydrofuro[2, (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)	5.43	12.11	-13.21	0	6	0	57	480.564	4	↓ MOL2 SDF SMILES Flexibase

41651057

Analogs

28182429
8993236
9422086

Draw Identity 99% 90% 80% 70%

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

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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)	4.87	11.22	-14	0	6	0	57	466.537	4	↓ MOL2 SDF SMILES Flexibase

41651116

Analogs

28182429
8993236
9422086

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(5-methoxy-1-methyl-indol-3-yl)methylene]-8-[(4-methoxyphenyl)methyl]-4-methyl-7,9-dihydrofu (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)	4.93	10.52	-15.91	0	7	0	66	496.563	5	↓ MOL2 SDF SMILES Flexibase

41651129

Analogs

28182429
8993236
9422086

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(5-methoxy-1-methyl-indol-3-yl)methylene]-8-[(2-methoxyphenyl)methyl]-4-methyl-7,9-dihydrofu (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)	4.88	10.65	-14.94	0	7	0	66	496.563	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.88	13.53	-53.93	1	7	1	67	497.571	5	↓ MOL2 SDF SMILES Flexibase

41651145

Analogs

9422207
9423320

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-4-methyl-8-(p-tolylmethyl)-7,9-dihydrofuro[2,3-f][1 (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)	5.70	12.81	-13.6	0	6	0	57	494.591	5	↓ MOL2 SDF SMILES Flexibase

41651149

Analogs

9423320
9422207

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.88	12.76	-14.37	0	6	0	57	515.009	5	↓ MOL2 SDF SMILES Flexibase

41651159

Analogs

9422207
9423320

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-8-[(4-fluorophenyl)methyl]-4-methyl-7,9-dihydrofuro (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)	5.41	12.2	-15.37	0	6	0	57	498.554	5	↓ MOL2 SDF SMILES Flexibase

41651164

Analogs

9422207
9423320

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.93	12.65	-14.65	0	6	0	57	515.009	5	↓ MOL2 SDF SMILES Flexibase

41651187

Analogs

9423320
9422207

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-4-methyl-8-[(1S)-1-phenylethyl]-7,9-dihydrofuro[2,3 (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)	5.81	13.18	-12.78	0	6	0	57	494.591	5	↓ MOL2 SDF SMILES Flexibase

41651192

Analogs

9423320
9422207

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-4-methyl-8-[(1R)-1-phenylethyl]-7,9-dihydrofuro[2,3 (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)	5.81	13.02	-12.97	0	6	0	57	494.591	5	↓ MOL2 SDF SMILES Flexibase

41651245

Analogs

9422207
9423320

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-benzyl-2-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzox (2Z)-8-benzyl-2-[(1-ethyl-5-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)	5.25	12.14	-13.64	0	6	0	57	480.564	5	↓ MOL2 SDF SMILES Flexibase

41651298

Analogs

9422207
9423320

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-8-[(4-methoxyphenyl)methyl]-4-methyl-7,9-dihydrofur (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)	5.31	11.42	-15.58	0	7	0	66	510.59	6	↓ MOL2 SDF SMILES Flexibase

41651309

Analogs

9422207
9423320

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-8-[(2-methoxyphenyl)methyl]-4-methyl-7,9-dihydrofur (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)	5.26	11.56	-14.47	0	7	0	66	510.59	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.26	14.45	-53.75	1	7	1	67	511.598	6	↓ MOL2 SDF SMILES Flexibase

41661744

Analogs

9423948
9423575
9422227

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(1-methylindol-3-yl)methylene]-8-(p-tolylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-2-[(1-methylindol-3-yl)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)	4.91	11.94	-12.1	0	5	0	48	436.511	3	↓ MOL2 SDF SMILES Flexibase

41661755

Analogs

20647485
9423948
9423575

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[(2-chlorophenyl)methyl]-2-[(1-methylindol-3-yl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzoxa (2Z)-8-[(2-chlorophenyl)methyl]-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.09	11.89	-12.79	0	5	0	48	456.929	3	↓ MOL2 SDF SMILES Flexibase

41661767

Analogs

9423575
9423948
9422227

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.63	11.35	-13.77	0	5	0	48	440.474	3	↓ MOL2 SDF SMILES Flexibase

41661773

Analogs

9423575
9423948
9422870

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.14	11.8	-13	0	5	0	48	456.929	3	↓ MOL2 SDF SMILES Flexibase

41661779

Analogs

9423948
9423575
9422227

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[(3,4-dimethoxyphenyl)methyl]-2-[(1-methylindol-3-yl)methylene]-7,9-dihydrofuro[2,3-f][1,3]be (2Z)-8-[(3,4-dimethoxyphenyl)met…

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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)	4.11	10.47	-16.39	0	7	0	66	482.536	5	↓ MOL2 SDF SMILES Flexibase

41661804

Analogs

20647485
9423948
9423575

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[(2,4-dichlorophenyl)methyl]-2-[(1-methylindol-3-yl)methylene]-7,9-dihydrofuro[2,3-f][1,3]ben (2Z)-8-[(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)	5.75	12.4	-13.47	0	5	0	48	491.374	3	↓ MOL2 SDF SMILES Flexibase

41661809

Analogs

9423948
9423575
9422870

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[(3,4-dichlorophenyl)methyl]-2-[(1-methylindol-3-yl)methylene]-7,9-dihydrofuro[2,3-f][1,3]ben (2Z)-8-[(3,4-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)	5.75	12.25	-13.91	0	5	0	48	491.374	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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SQL Query Was

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