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ZINC Item

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20235830

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-7-imino-2-methyl-6-[[4-(2-phenoxyethoxy)phenyl]methylene]isoxazolo[2,3-a]pyrimidin-5-one (6Z)-7-imino-2-methyl-6-[[4-(2-p…

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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)	2.17	8.78	-19.5	1	7	0	90	389.411	6	↓ MOL2 SDF SMILES Flexibase

20235834

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-6-[[3-chloro-5-ethoxy-4-(2-phenoxyethoxy)phenyl]methylene]-7-imino-2-methyl-isoxazolo[2,3-a]pyr (6Z)-6-[[3-chloro-5-ethoxy-4-(2-…

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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)	2.94	10.28	-22.22	1	8	0	99	467.909	8	↓ MOL2 SDF SMILES Flexibase

20235838

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-6-[[3-chloro-5-methoxy-4-(2-phenoxyethoxy)phenyl]methylene]-7-imino-2-methyl-isoxazolo[2,3-a]py (6Z)-6-[[3-chloro-5-methoxy-4-(2…

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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)	2.57	9.37	-22.48	1	8	0	99	453.882	7	↓ MOL2 SDF SMILES Flexibase

20235842

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-6-[[3-bromo-5-methoxy-4-(2-phenoxyethoxy)phenyl]methylene]-7-imino-2-methyl-isoxazolo[2,3-a]pyr (6Z)-6-[[3-bromo-5-methoxy-4-(2-…

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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)	2.70	9.47	-22.31	1	8	0	99	498.333	7	↓ MOL2 SDF SMILES Flexibase

20235846

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-6-[[3-bromo-5-ethoxy-4-(2-phenoxyethoxy)phenyl]methylene]-7-imino-2-methyl-isoxazolo[2,3-a]pyri (6Z)-6-[[3-bromo-5-ethoxy-4-(2-p…

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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)	3.07	10.39	-22.02	1	8	0	99	512.36	8	↓ MOL2 SDF SMILES Flexibase

20235849

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-7-imino-2-methyl-6-[[4-[2-(4-methylphenoxy)ethoxy]phenyl]methylene]isoxazolo[2,3-a]pyrimidin-5- (6Z)-7-imino-2-methyl-6-[[4-[2-(…

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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)	2.62	9.46	-22.06	1	7	0	90	403.438	6	↓ MOL2 SDF SMILES Flexibase

20235852

Analogs

13110858

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-6-[[3-ethoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl]methylene]-7-imino-2-methyl-isoxazolo[2,3-a]py (6Z)-6-[[3-ethoxy-4-[2-(4-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)	2.59	10.3	-21.36	1	8	0	99	447.491	8	↓ MOL2 SDF SMILES Flexibase

20235856

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-6-[[3-chloro-5-ethoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl]methylene]-7-imino-2-methyl-isoxazolo (6Z)-6-[[3-chloro-5-ethoxy-4-[2-…

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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)	3.39	10.95	-22.21	1	8	0	99	481.936	8	↓ MOL2 SDF SMILES Flexibase

20235860

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-6-[[3-chloro-5-methoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl]methylene]-7-imino-2-methyl-isoxazol (6Z)-6-[[3-chloro-5-methoxy-4-[2…

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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)	3.02	10.04	-22.2	1	8	0	99	467.909	7	↓ MOL2 SDF SMILES Flexibase

20235865

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-6-[[3-bromo-5-methoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl]methylene]-7-imino-2-methyl-isoxazolo (6Z)-6-[[3-bromo-5-methoxy-4-[2-…

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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)	3.15	10.15	-21.95	1	8	0	99	512.36	7	↓ MOL2 SDF SMILES Flexibase

20235869

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-6-[[4-[2-(3,4-dimethylphenoxy)ethoxy]phenyl]methylene]-7-imino-2-methyl-isoxazolo[2,3-a]pyrimid (6Z)-6-[[4-[2-(3,4-dimethylpheno…

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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)	3.00	10.01	-22.29	1	7	0	90	417.465	6	↓ MOL2 SDF SMILES Flexibase

20235873

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-6-[[4-[2-(3,4-dimethylphenoxy)ethoxy]-3-methoxy-phenyl]methylene]-7-imino-2-methyl-isoxazolo[2, (6Z)-6-[[4-[2-(3,4-dimethylpheno…

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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)	2.59	9.94	-21.76	1	8	0	99	447.491	7	↓ MOL2 SDF SMILES Flexibase

20235876

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-6-[[4-[2-(3,4-dimethylphenoxy)ethoxy]-3-ethoxy-phenyl]methylene]-7-imino-2-methyl-isoxazolo[2,3 (6Z)-6-[[4-[2-(3,4-dimethylpheno…

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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)	2.96	10.84	-21.65	1	8	0	99	461.518	8	↓ MOL2 SDF SMILES Flexibase

20235879

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-6-[[3-chloro-4-[2-(3,4-dimethylphenoxy)ethoxy]-5-ethoxy-phenyl]methylene]-7-imino-2-methyl-isox (6Z)-6-[[3-chloro-4-[2-(3,4-dime…

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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)	3.77	11.49	-22.53	1	8	0	99	495.963	8	↓ MOL2 SDF SMILES Flexibase

20235882

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-6-[[3-chloro-4-[2-(3,4-dimethylphenoxy)ethoxy]-5-methoxy-phenyl]methylene]-7-imino-2-methyl-iso (6Z)-6-[[3-chloro-4-[2-(3,4-dime…

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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)	3.39	10.59	-22.57	1	8	0	99	481.936	7	↓ MOL2 SDF SMILES Flexibase

20235887

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-7-imino-2-methyl-6-[[4-[2-(3-methylphenoxy)ethoxy]phenyl]methylene]isoxazolo[2,3-a]pyrimidin-5- (6Z)-7-imino-2-methyl-6-[[4-[2-(…

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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)	2.60	9.46	-22.18	1	7	0	90	403.438	6	↓ MOL2 SDF SMILES Flexibase

20235891

Analogs

13110858

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-7-imino-6-[[3-methoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl]methylene]-2-methyl-isoxazolo[2,3-a]p (6Z)-7-imino-6-[[3-methoxy-4-[2-…

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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)	2.19	9.38	-21.58	1	8	0	99	433.464	7	↓ MOL2 SDF SMILES Flexibase

20235895

Analogs

13110858

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-6-[[3-ethoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl]methylene]-7-imino-2-methyl-isoxazolo[2,3-a]py (6Z)-6-[[3-ethoxy-4-[2-(3-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)	2.56	10.3	-21.52	1	8	0	99	447.491	8	↓ MOL2 SDF SMILES Flexibase

20235899

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-6-[[3-chloro-5-ethoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl]methylene]-7-imino-2-methyl-isoxazolo (6Z)-6-[[3-chloro-5-ethoxy-4-[2-…

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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)	3.37	10.95	-22.39	1	8	0	99	481.936	8	↓ MOL2 SDF SMILES Flexibase

20235904

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-6-[[3-chloro-5-methoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl]methylene]-7-imino-2-methyl-isoxazol (6Z)-6-[[3-chloro-5-methoxy-4-[2…

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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)	2.99	10.03	-22.44	1	8	0	99	467.909	7	↓ MOL2 SDF SMILES Flexibase

20235909

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-6-[[3-bromo-5-methoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl]methylene]-7-imino-2-methyl-isoxazolo (6Z)-6-[[3-bromo-5-methoxy-4-[2-…

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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)	3.12	10.15	-22.1	1	8	0	99	512.36	7	↓ MOL2 SDF SMILES Flexibase

20235918

Analogs

13110858

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-6-[[3-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylene]-7-imino-2-methyl-isoxazolo[2,3-a]p (6Z)-6-[[3-ethoxy-4-[2-(2-methox…

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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)	1.75	9.55	-24.39	1	9	0	108	463.49	9	↓ MOL2 SDF SMILES Flexibase

20235921

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-6-[[3-chloro-5-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylene]-7-imino-2-methyl-isoxazol (6Z)-6-[[3-chloro-5-ethoxy-4-[2-…

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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)	2.56	10.2	-25.25	1	9	0	108	497.935	9	↓ MOL2 SDF SMILES Flexibase

20235925

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-6-[[3-chloro-5-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylene]-7-imino-2-methyl-isoxazo (6Z)-6-[[3-chloro-5-methoxy-4-[2…

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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)	2.18	9.29	-25.48	1	9	0	108	483.908	8	↓ MOL2 SDF SMILES Flexibase

20235930

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-6-[[4-[2-(4-bromophenoxy)ethoxy]-3-methoxy-phenyl]methylene]-7-imino-2-methyl-isoxazolo[2,3-a]p (6Z)-6-[[4-[2-(4-bromophenoxy)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)	2.57	9.33	-23.75	1	8	0	99	498.333	7	↓ MOL2 SDF SMILES Flexibase

20235934

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-6-[[4-[2-(4-bromophenoxy)ethoxy]-3-ethoxy-phenyl]methylene]-7-imino-2-methyl-isoxazolo[2,3-a]py (6Z)-6-[[4-[2-(4-bromophenoxy)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)	2.95	10.25	-20.37	1	8	0	99	512.36	8	↓ MOL2 SDF SMILES Flexibase

20235938

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-6-[[4-[2-(2-allylphenoxy)ethoxy]phenyl]methylene]-7-imino-2-methyl-isoxazolo[2,3-a]pyrimidin-5- (6Z)-6-[[4-[2-(2-allylphenoxy)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)	2.95	10.84	-19.23	1	7	0	90	429.476	8	↓ MOL2 SDF SMILES Flexibase

20235942

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-6-[[4-[2-(2-allylphenoxy)ethoxy]-3-methoxy-phenyl]methylene]-7-imino-2-methyl-isoxazolo[2,3-a]p (6Z)-6-[[4-[2-(2-allylphenoxy)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)	2.54	10.76	-24.2	1	8	0	99	459.502	9	↓ MOL2 SDF SMILES Flexibase

20235945

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-6-[[4-[2-(2-allylphenoxy)ethoxy]-3-ethoxy-phenyl]methylene]-7-imino-2-methyl-isoxazolo[2,3-a]py (6Z)-6-[[4-[2-(2-allylphenoxy)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)	2.91	11.68	-21.04	1	8	0	99	473.529	10	↓ MOL2 SDF SMILES Flexibase

20235949

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-6-[[4-[2-(2-allylphenoxy)ethoxy]-3-chloro-5-methoxy-phenyl]methylene]-7-imino-2-methyl-isoxazol (6Z)-6-[[4-[2-(2-allylphenoxy)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)	3.34	11.42	-22.09	1	8	0	99	493.947	9	↓ MOL2 SDF SMILES Flexibase

20235953

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-7-imino-2-methyl-6-[[4-[2-(2-methylphenoxy)ethoxy]phenyl]methylene]isoxazolo[2,3-a]pyrimidin-5- (6Z)-7-imino-2-methyl-6-[[4-[2-(…

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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)	2.57	9.53	-21.81	1	7	0	90	403.438	6	↓ MOL2 SDF SMILES Flexibase

20235956

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-7-imino-6-[[3-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]methylene]-2-methyl-isoxazolo[2,3-a]p (6Z)-7-imino-6-[[3-methoxy-4-[2-…

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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)	2.16	9.46	-21.36	1	8	0	99	433.464	7	↓ MOL2 SDF SMILES Flexibase

20235960

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-6-[[3-ethoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]methylene]-7-imino-2-methyl-isoxazolo[2,3-a]py (6Z)-6-[[3-ethoxy-4-[2-(2-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)	2.54	10.37	-21.22	1	8	0	99	447.491	8	↓ MOL2 SDF SMILES Flexibase

20235964

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-6-[[3-chloro-5-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]methylene]-7-imino-2-methyl-isoxazol (6Z)-6-[[3-chloro-5-methoxy-4-[2…

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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)	2.97	10.1	-22.06	1	8	0	99	467.909	7	↓ MOL2 SDF SMILES Flexibase

20235968

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-6-[[3-bromo-5-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]methylene]-7-imino-2-methyl-isoxazolo (6Z)-6-[[3-bromo-5-methoxy-4-[2-…

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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)	3.10	10.22	-21.68	1	8	0	99	512.36	7	↓ MOL2 SDF SMILES Flexibase

20235971

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-6-[[4-[2-(3-ethyl-5-methyl-phenoxy)ethoxy]phenyl]methylene]-7-imino-2-methyl-isoxazolo[2,3-a]py (6Z)-6-[[4-[2-(3-ethyl-5-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)	3.46	10.88	-22.04	1	7	0	90	431.492	7	↓ MOL2 SDF SMILES Flexibase

20235974

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-6-[[4-[2-(3-ethyl-5-methyl-phenoxy)ethoxy]-3-methoxy-phenyl]methylene]-7-imino-2-methyl-isoxazo (6Z)-6-[[4-[2-(3-ethyl-5-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)	3.05	10.8	-21.5	1	8	0	99	461.518	8	↓ MOL2 SDF SMILES Flexibase

20235979

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-6-[[3-ethoxy-4-[2-(3-ethyl-5-methyl-phenoxy)ethoxy]phenyl]methylene]-7-imino-2-methyl-isoxazolo (6Z)-6-[[3-ethoxy-4-[2-(3-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)	3.43	11.72	-21.39	1	8	0	99	475.545	9	↓ MOL2 SDF SMILES Flexibase

20235985

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-7-imino-6-[[3-methoxy-4-[2-(p-tolylsulfanyl)ethoxy]phenyl]methylene]-2-methyl-isoxazolo[2,3-a]p (6Z)-7-imino-6-[[3-methoxy-4-[2-…

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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)	2.59	10.81	-19.43	1	7	0	90	449.532	7	↓ MOL2 SDF SMILES Flexibase

20235988

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-6-[[3-ethoxy-4-[2-(p-tolylsulfanyl)ethoxy]phenyl]methylene]-7-imino-2-methyl-isoxazolo[2,3-a]py (6Z)-6-[[3-ethoxy-4-[2-(p-tolyls…

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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)	2.96	11.73	-19.21	1	7	0	90	463.559	8	↓ MOL2 SDF SMILES Flexibase

20235992

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-6-[[4-[2-(4-chlorophenyl)sulfanylethoxy]-3-methoxy-phenyl]methylene]-7-imino-2-methyl-isoxazolo (6Z)-6-[[4-[2-(4-chlorophenyl)su…

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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)	2.82	10.65	-20.11	1	7	0	90	469.95	7	↓ MOL2 SDF SMILES Flexibase

20235995

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-6-[[3-ethoxy-4-[(1S)-1-phenylethoxy]phenyl]methylene]-7-imino-2-methyl-isoxazolo[2,3-a]pyrimidi (6Z)-6-[[3-ethoxy-4-[(1S)-1-phen…

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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)	2.42	10.43	-19.11	1	7	0	90	417.465	6	↓ MOL2 SDF SMILES Flexibase

20235999

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-6-[[3-ethoxy-4-[(1R)-1-phenylethoxy]phenyl]methylene]-7-imino-2-methyl-isoxazolo[2,3-a]pyrimidi (6Z)-6-[[3-ethoxy-4-[(1R)-1-phen…

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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)	2.42	10.43	-19.01	1	7	0	90	417.465	6	↓ MOL2 SDF SMILES Flexibase

20236010

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-6-[[3-allyl-5-methoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl]methylene]-7-imino-2-methyl-isoxazolo (6Z)-6-[[3-allyl-5-methoxy-4-[2-…

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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)	3.16	11.5	-20.19	1	8	0	99	473.529	9	↓ MOL2 SDF SMILES Flexibase

20236015

Analogs

5792468

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-7-imino-2-methyl-6-[[1-[2-(4-methylphenoxy)ethyl]indol-3-yl]methylene]isoxazolo[2,3-a]pyrimidin (6Z)-7-imino-2-methyl-6-[[1-[2-(…

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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)	2.78	11.6	-17.29	1	7	0	86	426.476	5	↓ MOL2 SDF SMILES Flexibase

20236018

Analogs

5792468

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-7-imino-2-methyl-6-[[1-[2-(3-methylphenoxy)ethyl]indol-3-yl]methylene]isoxazolo[2,3-a]pyrimidin (6Z)-7-imino-2-methyl-6-[[1-[2-(…

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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)	2.76	11.6	-17.38	1	7	0	86	426.476	5	↓ MOL2 SDF SMILES Flexibase

20236022

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-7-imino-2-methyl-6-[[1-[2-(2-methylphenoxy)ethyl]indol-3-yl]methylene]isoxazolo[2,3-a]pyrimidin (6Z)-7-imino-2-methyl-6-[[1-[2-(…

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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)	2.73	11.68	-17.34	1	7	0	86	426.476	5	↓ MOL2 SDF SMILES Flexibase

20236026

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-7-imino-6-[[1-[2-(3-methoxyphenoxy)ethyl]indol-3-yl]methylene]-2-methyl-isoxazolo[2,3-a]pyrimid (6Z)-7-imino-6-[[1-[2-(3-methoxy…

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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)	2.37	10.22	-18.98	1	8	0	95	442.475	6	↓ MOL2 SDF SMILES Flexibase

20236030

Analogs

5792468

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-7-imino-6-[[1-[2-(4-methoxyphenoxy)ethyl]indol-3-yl]methylene]-2-methyl-isoxazolo[2,3-a]pyrimid (6Z)-7-imino-6-[[1-[2-(4-methoxy…

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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)	2.39	10.21	-18.4	1	8	0	95	442.475	6	↓ MOL2 SDF SMILES Flexibase

20236034

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-7-imino-6-[[3-methoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl]methylene]-2-methyl-isoxazolo[2,3-a] (6Z)-7-imino-6-[[3-methoxy-4-[2-…

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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)	1.80	8.01	-27.18	1	9	0	108	449.463	8	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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SQL Query Was

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