ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

41588953

Analogs

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Popular Name: (7Z)-9-methyl-7-[(1-methylindol-3-yl)methylene]-3-(p-tolylmethyl)-2,4-dihydrofuro[3,2-g][1,3]benzoxa (7Z)-9-methyl-7-[(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	12.68	-11.81	0	5	0	48	450.538	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.29	15.55	-51.82	1	5	1	49	451.546	3	↓ MOL2 SDF SMILES Flexibase

41588957

Analogs

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Popular Name: (7Z)-3-[(2-chlorophenyl)methyl]-9-methyl-7-[(1-methylindol-3-yl)methylene]-2,4-dihydrofuro[3,2-g][1, (7Z)-3-[(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	12.62	-12.82	0	5	0	48	470.956	3	↓ MOL2 SDF SMILES Flexibase

41588961

Analogs

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Popular Name: (7Z)-3-[(4-fluorophenyl)methyl]-9-methyl-7-[(1-methylindol-3-yl)methylene]-2,4-dihydrofuro[3,2-g][1, (7Z)-3-[(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	12.08	-13.2	0	5	0	48	454.501	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.00	14.93	-58.35	1	5	1	49	455.509	3	↓ MOL2 SDF SMILES Flexibase

41588963

Analogs

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Popular Name: (7Z)-3-[(4-chlorophenyl)methyl]-9-methyl-7-[(1-methylindol-3-yl)methylene]-2,4-dihydrofuro[3,2-g][1, (7Z)-3-[(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	12.53	-12.49	0	5	0	48	470.956	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.52	15.39	-57.27	1	5	1	49	471.964	3	↓ MOL2 SDF SMILES Flexibase

41588965

Analogs

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Popular Name: (7Z)-3-[(3,4-dimethoxyphenyl)methyl]-9-methyl-7-[(1-methylindol-3-yl)methylene]-2,4-dihydrofuro[3,2- (7Z)-3-[(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	11.21	-15.93	0	7	0	66	496.563	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.49	14.07	-59.34	1	7	1	67	497.571	5	↓ MOL2 SDF SMILES Flexibase

41588973

Analogs

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Popular Name: (7Z)-3-[(2,4-dichlorophenyl)methyl]-9-methyl-7-[(1-methylindol-3-yl)methylene]-2,4-dihydrofuro[3,2-g (7Z)-3-[(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	13.14	-13.19	0	5	0	48	505.401	3	↓ MOL2 SDF SMILES Flexibase

41588975

Analogs

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Popular Name: (7Z)-3-[(3,4-dichlorophenyl)methyl]-9-methyl-7-[(1-methylindol-3-yl)methylene]-2,4-dihydrofuro[3,2-g (7Z)-3-[(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	12.98	-13.09	0	5	0	48	505.401	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.12	15.84	-60.45	1	5	1	49	506.409	3	↓ MOL2 SDF SMILES Flexibase

41588981

Analogs

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Popular Name: (7Z)-9-methyl-7-[(1-methylindol-3-yl)methylene]-3-[(1S)-1-phenylethyl]-2,4-dihydrofuro[3,2-g][1,3]be (7Z)-9-methyl-7-[(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	13.07	-10.85	0	5	0	48	450.538	3	↓ MOL2 SDF SMILES Flexibase

41588983

Analogs

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Popular Name: (7Z)-9-methyl-7-[(1-methylindol-3-yl)methylene]-3-[(1R)-1-phenylethyl]-2,4-dihydrofuro[3,2-g][1,3]be (7Z)-9-methyl-7-[(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	12.91	-11.59	0	5	0	48	450.538	3	↓ MOL2 SDF SMILES Flexibase

41589004

Analogs

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Popular Name: (7Z)-3-benzyl-9-methyl-7-[(1-methylindol-3-yl)methylene]-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one (7Z)-3-benzyl-9-methyl-7-[(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	12.01	-11.8	0	5	0	48	436.511	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.84	14.86	-51.78	1	5	1	49	437.519	3	↓ MOL2 SDF SMILES Flexibase

41589024

Analogs

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Popular Name: (7Z)-3-[(4-methoxyphenyl)methyl]-9-methyl-7-[(1-methylindol-3-yl)methylene]-2,4-dihydrofuro[3,2-g][1 (7Z)-3-[(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	11.31	-13.57	0	6	0	57	466.537	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.90	14.16	-55.31	1	6	1	58	467.545	4	↓ MOL2 SDF SMILES Flexibase

41589028

Analogs

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Popular Name: (7Z)-3-[(2-methoxyphenyl)methyl]-9-methyl-7-[(1-methylindol-3-yl)methylene]-2,4-dihydrofuro[3,2-g][1 (7Z)-3-[(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	11.45	-12.98	0	6	0	57	466.537	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.85	14.33	-47.47	1	6	1	58	467.545	4	↓ MOL2 SDF SMILES Flexibase

41589034

Analogs

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Popular Name: (7Z)-7-[(1-ethylindol-3-yl)methylene]-9-methyl-3-(p-tolylmethyl)-2,4-dihydrofuro[3,2-g][1,3]benzoxaz (7Z)-7-[(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	13.61	-11.45	0	5	0	48	464.565	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.66	16.46	-51.44	1	5	1	49	465.573	4	↓ MOL2 SDF SMILES Flexibase

41589038

Analogs

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Popular Name: (7Z)-3-[(2-chlorophenyl)methyl]-7-[(1-ethylindol-3-yl)methylene]-9-methyl-2,4-dihydrofuro[3,2-g][1,3 (7Z)-3-[(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	13.57	-12.45	0	5	0	48	484.983	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.85	16.3	-48.31	1	5	1	49	485.991	4	↓ MOL2 SDF SMILES Flexibase

41589042

Analogs

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Popular Name: (7Z)-7-[(1-ethylindol-3-yl)methylene]-3-[(4-fluorophenyl)methyl]-9-methyl-2,4-dihydrofuro[3,2-g][1,3 (7Z)-7-[(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	12.99	-12.83	0	5	0	48	468.528	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.38	15.85	-58.05	1	5	1	49	469.536	4	↓ MOL2 SDF SMILES Flexibase

41589044

Analogs

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Popular Name: (7Z)-3-[(4-chlorophenyl)methyl]-7-[(1-ethylindol-3-yl)methylene]-9-methyl-2,4-dihydrofuro[3,2-g][1,3 (7Z)-3-[(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	13.44	-12.05	0	5	0	48	484.983	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.89	16.31	-56.86	1	5	1	49	485.991	4	↓ MOL2 SDF SMILES Flexibase

41589046

Analogs

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Popular Name: (7Z)-3-[(3,4-dimethoxyphenyl)methyl]-7-[(1-ethylindol-3-yl)methylene]-9-methyl-2,4-dihydrofuro[3,2-g (7Z)-3-[(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	12.13	-15.49	0	7	0	66	510.59	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.86	14.99	-58.98	1	7	1	67	511.598	6	↓ MOL2 SDF SMILES Flexibase

41589054

Analogs

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Popular Name: (7Z)-3-[(2,4-dichlorophenyl)methyl]-7-[(1-ethylindol-3-yl)methylene]-9-methyl-2,4-dihydrofuro[3,2-g] (7Z)-3-[(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	14.08	-12.88	0	5	0	48	519.428	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.50	16.81	-53.14	1	5	1	49	520.436	4	↓ MOL2 SDF SMILES Flexibase

41589056

Analogs

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Popular Name: (7Z)-3-[(3,4-dichlorophenyl)methyl]-7-[(1-ethylindol-3-yl)methylene]-9-methyl-2,4-dihydrofuro[3,2-g] (7Z)-3-[(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	13.9	-12.66	0	5	0	48	519.428	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.50	16.77	-60.15	1	5	1	49	520.436	4	↓ MOL2 SDF SMILES Flexibase

41589060

Analogs

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Popular Name: (7Z)-7-[(1-ethylindol-3-yl)methylene]-9-methyl-3-[(1S)-1-phenylethyl]-2,4-dihydrofuro[3,2-g][1,3]ben (7Z)-7-[(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	13.99	-10.52	0	5	0	48	464.565	4	↓ MOL2 SDF SMILES Flexibase

41589062

Analogs

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Popular Name: (7Z)-7-[(1-ethylindol-3-yl)methylene]-9-methyl-3-[(1R)-1-phenylethyl]-2,4-dihydrofuro[3,2-g][1,3]ben (7Z)-7-[(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	13.79	-11.14	0	5	0	48	464.565	4	↓ MOL2 SDF SMILES Flexibase

41589082

Analogs

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Popular Name: (7Z)-3-benzyl-7-[(1-ethylindol-3-yl)methylene]-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one (7Z)-3-benzyl-7-[(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	12.93	-11.37	0	5	0	48	450.538	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.22	15.79	-51.46	1	5	1	49	451.546	4	↓ MOL2 SDF SMILES Flexibase

41589102

Analogs

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Popular Name: (7Z)-7-[(1-ethylindol-3-yl)methylene]-3-[(4-methoxyphenyl)methyl]-9-methyl-2,4-dihydrofuro[3,2-g][1, (7Z)-7-[(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	12.22	-13.22	0	6	0	57	480.564	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.27	15.09	-55	1	6	1	58	481.572	5	↓ MOL2 SDF SMILES Flexibase

41589106

Analogs

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Popular Name: (7Z)-7-[(1-ethylindol-3-yl)methylene]-3-[(2-methoxyphenyl)methyl]-9-methyl-2,4-dihydrofuro[3,2-g][1, (7Z)-7-[(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	12.4	-12.73	0	6	0	57	480.564	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.22	15.26	-47.11	1	6	1	58	481.572	5	↓ MOL2 SDF SMILES Flexibase

41589112

Analogs

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Popular Name: (7Z)-7-[(5-methoxy-1-methyl-indol-3-yl)methylene]-9-methyl-3-(p-tolylmethyl)-2,4-dihydrofuro[3,2-g][ (7Z)-7-[(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	11.98	-13.69	0	6	0	57	480.564	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.32	14.83	-53.63	1	6	1	58	481.572	4	↓ MOL2 SDF SMILES Flexibase

41589114

Analogs

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Popular Name: (7Z)-3-[(2-chlorophenyl)methyl]-7-[(5-methoxy-1-methyl-indol-3-yl)methylene]-9-methyl-2,4-dihydrofur (7Z)-3-[(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	11.92	-14.83	0	6	0	57	500.982	4	↓ MOL2 SDF SMILES Flexibase

41589118

Analogs

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Popular Name: (7Z)-3-[(4-fluorophenyl)methyl]-7-[(5-methoxy-1-methyl-indol-3-yl)methylene]-9-methyl-2,4-dihydrofur (7Z)-3-[(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	11.37	-15.14	0	6	0	57	484.527	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.04	14.23	-60.13	1	6	1	58	485.535	4	↓ MOL2 SDF SMILES Flexibase

41589120

Analogs

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Popular Name: (7Z)-3-[(4-chlorophenyl)methyl]-7-[(5-methoxy-1-methyl-indol-3-yl)methylene]-9-methyl-2,4-dihydrofur (7Z)-3-[(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	11.82	-14.38	0	6	0	57	500.982	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.55	14.69	-59	1	6	1	58	501.99	4	↓ MOL2 SDF SMILES Flexibase

41589122

Analogs

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Popular Name: (7Z)-3-[(3,4-dimethoxyphenyl)methyl]-7-[(5-methoxy-1-methyl-indol-3-yl)methylene]-9-methyl-2,4-dihyd (7Z)-3-[(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	10.49	-17.77	0	8	0	75	526.589	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.52	13.37	-61.14	1	8	1	77	527.597	6	↓ MOL2 SDF SMILES Flexibase

41589132

Analogs

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Popular Name: (7Z)-7-[(5-methoxy-1-methyl-indol-3-yl)methylene]-9-methyl-3-[(1S)-1-phenylethyl]-2,4-dihydrofuro[3, (7Z)-7-[(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	12.36	-12.77	0	6	0	57	480.564	4	↓ MOL2 SDF SMILES Flexibase

41589134

Analogs

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Popular Name: (7Z)-7-[(5-methoxy-1-methyl-indol-3-yl)methylene]-9-methyl-3-[(1R)-1-phenylethyl]-2,4-dihydrofuro[3, (7Z)-7-[(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	12.21	-13.57	0	6	0	57	480.564	4	↓ MOL2 SDF SMILES Flexibase

41589154

Analogs

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Popular Name: (7Z)-3-benzyl-7-[(5-methoxy-1-methyl-indol-3-yl)methylene]-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzo (7Z)-3-benzyl-7-[(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	11.3	-13.71	0	6	0	57	466.537	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.87	14.17	-53.61	1	6	1	58	467.545	4	↓ MOL2 SDF SMILES Flexibase

41589174

Analogs

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Popular Name: (7Z)-7-[(5-methoxy-1-methyl-indol-3-yl)methylene]-3-[(4-methoxyphenyl)methyl]-9-methyl-2,4-dihydrofu (7Z)-7-[(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	10.6	-15.51	0	7	0	66	496.563	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.93	13.47	-57.16	1	7	1	67	497.571	5	↓ MOL2 SDF SMILES Flexibase

41589178

Analogs

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Popular Name: (7Z)-7-[(5-methoxy-1-methyl-indol-3-yl)methylene]-3-[(2-methoxyphenyl)methyl]-9-methyl-2,4-dihydrofu (7Z)-7-[(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	10.74	-14.97	0	7	0	66	496.563	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.88	13.62	-49.35	1	7	1	67	497.571	5	↓ MOL2 SDF SMILES Flexibase

41589184

Analogs

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Popular Name: (7Z)-7-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-9-methyl-3-(p-tolylmethyl)-2,4-dihydrofuro[3,2-g][1 (7Z)-7-[(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	12.9	-13.26	0	6	0	57	494.591	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.70	15.75	-53.24	1	6	1	58	495.599	5	↓ MOL2 SDF SMILES Flexibase

41589186

Analogs

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Popular Name: (7Z)-3-[(2-chlorophenyl)methyl]-7-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-9-methyl-2,4-dihydrofuro (7Z)-3-[(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	12.86	-14.39	0	6	0	57	515.009	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.88	15.59	-50.08	1	6	1	58	516.017	5	↓ MOL2 SDF SMILES Flexibase

41589190

Analogs

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Popular Name: (7Z)-7-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-3-[(4-fluorophenyl)methyl]-9-methyl-2,4-dihydrofuro (7Z)-7-[(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	12.28	-14.62	0	6	0	57	498.554	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.41	15.15	-59.75	1	6	1	58	499.562	5	↓ MOL2 SDF SMILES Flexibase

41589192

Analogs

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Popular Name: (7Z)-3-[(4-chlorophenyl)methyl]-7-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-9-methyl-2,4-dihydrofuro (7Z)-3-[(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	12.73	-13.91	0	6	0	57	515.009	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.93	15.6	-58.58	1	6	1	58	516.017	5	↓ MOL2 SDF SMILES Flexibase

41589202

Analogs

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Popular Name: (7Z)-7-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-9-methyl-3-[(1S)-1-phenylethyl]-2,4-dihydrofuro[3,2 (7Z)-7-[(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	13.28	-12.36	0	6	0	57	494.591	5	↓ MOL2 SDF SMILES Flexibase

41589204

Analogs

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Popular Name: (7Z)-7-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-9-methyl-3-[(1R)-1-phenylethyl]-2,4-dihydrofuro[3,2 (7Z)-7-[(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	13.08	-13.15	0	6	0	57	494.591	5	↓ MOL2 SDF SMILES Flexibase

41589224

Analogs

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Popular Name: (7Z)-3-benzyl-7-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzox (7Z)-3-benzyl-7-[(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	12.22	-13.25	0	6	0	57	480.564	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.25	15.08	-53.15	1	6	1	58	481.572	5	↓ MOL2 SDF SMILES Flexibase

41589244

Analogs

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Popular Name: (7Z)-7-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-3-[(4-methoxyphenyl)methyl]-9-methyl-2,4-dihydrofur (7Z)-7-[(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	11.51	-15.06	0	7	0	66	510.59	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.31	14.38	-56.81	1	7	1	67	511.598	6	↓ MOL2 SDF SMILES Flexibase

41589248

Analogs

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Popular Name: (7Z)-7-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-3-[(2-methoxyphenyl)methyl]-9-methyl-2,4-dihydrofur (7Z)-7-[(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	11.68	-14.6	0	7	0	66	510.59	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.26	14.55	-48.91	1	7	1	67	511.598	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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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 = 551064 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
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    window.zinc.embed('zinc-link', {
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