ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

41645154

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-8-[2-(4-fluorophenyl)ethyl]-4-methyl-2-(2-thienylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxaz (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)	5.09	10.1	-9.49	0	4	0	43	421.493	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.09	12.97	-54.67	1	4	1	44	422.501	4	↓ MOL2 SDF SMILES Flexibase

41645160

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-8-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-2-(2-thienylmethylene)-7,9-dihydrofuro[2,3-f][1,3]ben (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)	4.57	9.23	-12.52	0	6	0	61	463.555	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.57	12.09	-56.57	1	6	1	62	464.563	6	↓ MOL2 SDF SMILES Flexibase

41645166

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-8-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-(2-thienylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxa (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)	4.98	9.33	-9.81	0	5	0	52	433.529	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.98	12.2	-52.11	1	5	1	53	434.537	5	↓ MOL2 SDF SMILES Flexibase

41645182

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-8-[2-(4-chlorophenyl)ethyl]-4-methyl-2-(2-thienylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxaz (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)	5.61	10.55	-8.73	0	4	0	43	437.948	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.61	13.42	-53.38	1	4	1	44	438.956	4	↓ MOL2 SDF SMILES Flexibase

41645189

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-8-[2-(2,4-dichlorophenyl)ethyl]-4-methyl-2-(2-thienylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benz (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)	6.21	10.95	-9.21	0	4	0	43	472.393	4	↓ MOL2 SDF SMILES Flexibase

41645192

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[2-(2-chlorophenyl)ethyl]-4-methyl-2-(2-thienylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxaz (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)	5.56	10.48	-9.43	0	4	0	43	437.948	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.56	13.36	-48.22	1	4	1	44	438.956	4	↓ MOL2 SDF SMILES Flexibase

41645230

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[2-(2-methoxyphenyl)ethyl]-4-methyl-2-(2-thienylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxa (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)	4.94	9.43	-10.06	0	5	0	52	433.529	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.94	12.31	-47.45	1	5	1	53	434.537	5	↓ MOL2 SDF SMILES Flexibase

41649867

Analogs

28541897
13718957
13718962

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-8-[2-(4-fluorophenyl)ethyl]-4-methyl-2-[(3-methyl-2-thienyl)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)	5.47	10.71	-9.69	0	4	0	43	435.52	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.47	13.57	-54.93	1	4	1	44	436.528	4	↓ MOL2 SDF SMILES Flexibase

41649878

Analogs

28541897
13690984
13718962

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-8-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-2-[(3-methyl-2-thienyl)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)	4.95	9.84	-12.78	0	6	0	61	477.582	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.95	12.7	-56.75	1	6	1	62	478.59	6	↓ MOL2 SDF SMILES Flexibase

41649891

Analogs

28541897
13718962
13718957

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-8-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-[(3-methyl-2-thienyl)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)	5.36	9.95	-10.01	0	5	0	52	447.556	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.36	12.8	-52.35	1	5	1	53	448.564	5	↓ MOL2 SDF SMILES Flexibase

41649926

Analogs

13718957
13718962

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-8-[2-(4-chlorophenyl)ethyl]-4-methyl-2-[(3-methyl-2-thienyl)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)	5.98	11.17	-8.97	0	4	0	43	451.975	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.98	14.02	-53.69	1	4	1	44	452.983	4	↓ MOL2 SDF SMILES Flexibase

41649942

Analogs

13718957
13718962

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-8-[2-(2,4-dichlorophenyl)ethyl]-4-methyl-2-[(3-methyl-2-thienyl)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)	6.59	11.56	-9.46	0	4	0	43	486.42	4	↓ MOL2 SDF SMILES Flexibase

41649948

Analogs

13718962
13718957

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[2-(2-chlorophenyl)ethyl]-4-methyl-2-[(3-methyl-2-thienyl)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)	5.93	11.08	-9.57	0	4	0	43	451.975	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.93	13.95	-48.16	1	4	1	44	452.983	4	↓ MOL2 SDF SMILES Flexibase

41650018

Analogs

28541897
13718957
13718962

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[2-(2-methoxyphenyl)ethyl]-4-methyl-2-[(3-methyl-2-thienyl)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)	5.31	10.04	-10.15	0	5	0	52	447.556	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.31	12.9	-47.38	1	5	1	53	448.564	5	↓ MOL2 SDF SMILES Flexibase

41653883

Analogs

22935387
13690984

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[2-(4-fluorophenyl)ethyl]-2-(2-thienylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (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)	4.71	9.5	-10.08	0	4	0	43	407.466	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.71	12.34	-56.32	1	4	1	44	408.474	4	↓ MOL2 SDF SMILES Flexibase

41653895

Analogs

13690984

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-thienylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3 (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)	4.20	8.62	-12.96	0	6	0	61	449.528	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.20	11.47	-57.98	1	6	1	62	450.536	6	↓ MOL2 SDF SMILES Flexibase

41653906

Analogs

22935387
13690984
13722960

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[2-(4-methoxyphenyl)ethyl]-2-(2-thienylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (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)	4.61	8.71	-10.39	0	5	0	52	419.502	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.61	11.57	-53.65	1	5	1	53	420.51	5	↓ MOL2 SDF SMILES Flexibase

41653929

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[2-(4-chlorophenyl)ethyl]-2-(2-thienylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (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)	5.23	9.95	-9.36	0	4	0	43	423.921	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.23	12.8	-55.03	1	4	1	44	424.929	4	↓ MOL2 SDF SMILES Flexibase

41653947

Analogs

22935387
13718562
13718559

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[2-(2,4-dichlorophenyl)ethyl]-2-(2-thienylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3- (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)	5.84	10.35	-9.78	0	4	0	43	458.366	4	↓ MOL2 SDF SMILES Flexibase

41653953

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[2-(2-chlorophenyl)ethyl]-2-(2-thienylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (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)	5.18	9.82	-9.5	0	4	0	43	423.921	4	↓ MOL2 SDF SMILES Flexibase

41654031

Analogs

22935387
13690984
20714124

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[2-(2-methoxyphenyl)ethyl]-2-(2-thienylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (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)	4.56	8.77	-10.1	0	5	0	52	419.502	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.56	11.64	-47.7	1	5	1	53	420.51	5	↓ MOL2 SDF SMILES Flexibase

41660992

Analogs

13718957
13718962

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[2-(4-fluorophenyl)ethyl]-2-[(3-methyl-2-thienyl)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)	5.09	10.1	-10.15	0	4	0	43	421.493	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.09	12.95	-56.12	1	4	1	44	422.501	4	↓ MOL2 SDF SMILES Flexibase

41661004

Analogs

13690984

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3-methyl-2-thienyl)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)	4.57	9.23	-13.2	0	6	0	61	463.555	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.57	12.08	-57.94	1	6	1	62	464.563	6	↓ MOL2 SDF SMILES Flexibase

41661020

Analogs

13718962
13718957

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[2-(4-methoxyphenyl)ethyl]-2-[(3-methyl-2-thienyl)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)	4.98	9.33	-10.43	0	5	0	52	433.529	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.98	12.18	-53.49	1	5	1	53	434.537	5	↓ MOL2 SDF SMILES Flexibase

41661057

Analogs

13718957
13718962

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[2-(4-chlorophenyl)ethyl]-2-[(3-methyl-2-thienyl)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)	5.61	10.55	-9.38	0	4	0	43	437.948	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.61	13.41	-54.85	1	4	1	44	438.956	4	↓ MOL2 SDF SMILES Flexibase

41661074

Analogs

13718957
13718962

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[2-(2,4-dichlorophenyl)ethyl]-2-[(3-methyl-2-thienyl)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)	6.21	10.94	-9.84	0	4	0	43	472.393	4	↓ MOL2 SDF SMILES Flexibase

41661080

Analogs

13718957
13718962

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[2-(2-chlorophenyl)ethyl]-2-[(3-methyl-2-thienyl)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)	5.56	10.43	-9.57	0	4	0	43	437.948	4	↓ MOL2 SDF SMILES Flexibase

41661157

Analogs

13718957
13718962

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Popular Name: (2Z)-8-[2-(2-methoxyphenyl)ethyl]-2-[(3-methyl-2-thienyl)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)	4.94	9.39	-10.15	0	5	0	52	433.529	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.94	12.25	-47.62	1	5	1	53	434.537	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 559936
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 = 559936 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=559936&filter.purchasability=annotated

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<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": "559936"        

    });
</script>

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