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ZINC Item

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20236346

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-7-imino-2-methyl-6-[[4-[3-(4-methylphenoxy)propoxy]phenyl]methylene]isoxazolo[2,3-a]pyrimidin-5 (6Z)-7-imino-2-methyl-6-[[4-[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)	2.89	10.05	-20.54	1	7	0	90	417.465	7	↓ MOL2 SDF SMILES Flexibase

20236349

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-7-imino-2-methyl-6-[[4-[3-(3-methylphenoxy)propoxy]phenyl]methylene]isoxazolo[2,3-a]pyrimidin-5 (6Z)-7-imino-2-methyl-6-[[4-[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)	2.87	10.05	-20.68	1	7	0	90	417.465	7	↓ MOL2 SDF SMILES Flexibase

20236352

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-6-[[4-[3-(4-chlorophenoxy)propoxy]phenyl]methylene]-7-imino-2-methyl-isoxazolo[2,3-a]pyrimidin- (6Z)-6-[[4-[3-(4-chlorophenoxy)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)	3.12	9.89	-18.61	1	7	0	90	437.883	7	↓ MOL2 SDF SMILES Flexibase

20236359

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-7-imino-6-[[3-methoxy-4-[3-(4-methylphenoxy)propoxy]phenyl]methylene]-2-methyl-isoxazolo[2,3-a] (6Z)-7-imino-6-[[3-methoxy-4-[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)	2.48	9.95	-20.72	1	8	0	99	447.491	8	↓ MOL2 SDF SMILES Flexibase

20236363

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-7-imino-6-[[3-methoxy-4-[3-(3-methylphenoxy)propoxy]phenyl]methylene]-2-methyl-isoxazolo[2,3-a] (6Z)-7-imino-6-[[3-methoxy-4-[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)	2.46	9.95	-20.89	1	8	0	99	447.491	8	↓ MOL2 SDF SMILES Flexibase

20236366

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-6-[[4-[3-(4-chlorophenoxy)propoxy]-3-methoxy-phenyl]methylene]-7-imino-2-methyl-isoxazolo[2,3-a (6Z)-6-[[4-[3-(4-chlorophenoxy)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)	2.71	9.8	-22.75	1	8	0	99	467.909	8	↓ MOL2 SDF SMILES Flexibase

20236369

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-7-imino-6-[[3-methoxy-4-(3-phenoxypropoxy)phenyl]methylene]-2-methyl-isoxazolo[2,3-a]pyrimidin- (6Z)-7-imino-6-[[3-methoxy-4-(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)	2.03	9.27	-23.05	1	8	0	99	433.464	8	↓ MOL2 SDF SMILES Flexibase

20236372

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-6-[[3-ethoxy-4-[3-(4-methylphenoxy)propoxy]phenyl]methylene]-7-imino-2-methyl-isoxazolo[2,3-a]p (6Z)-6-[[3-ethoxy-4-[3-(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)	2.86	10.87	-20.53	1	8	0	99	461.518	9	↓ MOL2 SDF SMILES Flexibase

20236376

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-6-[[3-ethoxy-4-[3-(3-methylphenoxy)propoxy]phenyl]methylene]-7-imino-2-methyl-isoxazolo[2,3-a]p (6Z)-6-[[3-ethoxy-4-[3-(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)	2.83	10.87	-20.68	1	8	0	99	461.518	9	↓ MOL2 SDF SMILES Flexibase

20236380

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	2.41	10.19	-20.59	1	8	0	99	447.491	9	↓ MOL2 SDF SMILES Flexibase

20236384

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-6-[[3-chloro-5-methoxy-4-(3-phenoxypropoxy)phenyl]methylene]-7-imino-2-methyl-isoxazolo[2,3-a]p (6Z)-6-[[3-chloro-5-methoxy-4-(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)	2.84	9.95	-22.02	1	8	0	99	467.909	8	↓ MOL2 SDF SMILES Flexibase

20236387

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-6-[[3-bromo-5-methoxy-4-(3-phenoxypropoxy)phenyl]methylene]-7-imino-2-methyl-isoxazolo[2,3-a]py (6Z)-6-[[3-bromo-5-methoxy-4-(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)	2.97	10.07	-21.85	1	8	0	99	512.36	8	↓ MOL2 SDF SMILES Flexibase

20236428

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-7-imino-6-[[4-[3-(4-methoxyphenoxy)propoxy]phenyl]methylene]-2-methyl-isoxazolo[2,3-a]pyrimidin (6Z)-7-imino-6-[[4-[3-(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)	2.50	8.66	-20.02	1	8	0	99	433.464	8	↓ MOL2 SDF SMILES Flexibase

20236431

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-6-[[4-[3-(2,4-dimethylphenoxy)propoxy]phenyl]methylene]-7-imino-2-methyl-isoxazolo[2,3-a]pyrimi (6Z)-6-[[4-[3-(2,4-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)	3.27	10.79	-20.44	1	7	0	90	431.492	7	↓ MOL2 SDF SMILES Flexibase

20236436

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-6-[[4-[3-(2,5-dimethylphenoxy)propoxy]phenyl]methylene]-7-imino-2-methyl-isoxazolo[2,3-a]pyrimi (6Z)-6-[[4-[3-(2,5-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)	3.27	10.79	-20.53	1	7	0	90	431.492	7	↓ MOL2 SDF SMILES Flexibase

20236439

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-6-[[4-[3-(2,6-dimethylphenoxy)propoxy]phenyl]methylene]-7-imino-2-methyl-isoxazolo[2,3-a]pyrimi (6Z)-6-[[4-[3-(2,6-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)	3.25	10.82	-19.95	1	7	0	90	431.492	7	↓ MOL2 SDF SMILES Flexibase

20236442

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-6-[[4-[3-(2-chlorophenoxy)propoxy]phenyl]methylene]-7-imino-2-methyl-isoxazolo[2,3-a]pyrimidin- (6Z)-6-[[4-[3-(2-chlorophenoxy)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	9.93	-20.11	1	7	0	90	437.883	7	↓ MOL2 SDF SMILES Flexibase

20236445

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-6-[[4-[3-(2,3-dimethylphenoxy)propoxy]phenyl]methylene]-7-imino-2-methyl-isoxazolo[2,3-a]pyrimi (6Z)-6-[[4-[3-(2,3-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)	3.25	10.68	-20.58	1	7	0	90	431.492	7	↓ MOL2 SDF SMILES Flexibase

20236449

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-6-[[4-[3-(3,4-dimethylphenoxy)propoxy]phenyl]methylene]-7-imino-2-methyl-isoxazolo[2,3-a]pyrimi (6Z)-6-[[4-[3-(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)	3.27	10.6	-20.83	1	7	0	90	431.492	7	↓ MOL2 SDF SMILES Flexibase

20236452

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-7-imino-6-[[4-[3-(2-methoxyphenoxy)propoxy]phenyl]methylene]-2-methyl-isoxazolo[2,3-a]pyrimidin (6Z)-7-imino-6-[[4-[3-(2-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)	2.06	9.28	-21.76	1	8	0	99	433.464	8	↓ MOL2 SDF SMILES Flexibase

20236456

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-7-imino-2-methyl-6-[[4-[3-(2-methylphenoxy)propoxy]phenyl]methylene]isoxazolo[2,3-a]pyrimidin-5 (6Z)-7-imino-2-methyl-6-[[4-[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)	2.84	10.13	-20.51	1	7	0	90	417.465	7	↓ MOL2 SDF SMILES Flexibase

20236460

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-7-imino-6-[[4-[3-(3-methoxyphenoxy)propoxy]phenyl]methylene]-2-methyl-isoxazolo[2,3-a]pyrimidin (6Z)-7-imino-6-[[4-[3-(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)	2.48	8.67	-20.93	1	8	0	99	433.464	8	↓ MOL2 SDF SMILES Flexibase

20236464

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-7-imino-6-[[3-methoxy-4-[3-(4-methoxyphenoxy)propoxy]phenyl]methylene]-2-methyl-isoxazolo[2,3-a (6Z)-7-imino-6-[[3-methoxy-4-[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)	2.09	8.56	-24.02	1	9	0	108	463.49	9	↓ MOL2 SDF SMILES Flexibase

20236468

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-6-[[4-[3-(3,5-dimethylphenoxy)propoxy]-3-methoxy-phenyl]methylene]-7-imino-2-methyl-isoxazolo[2 (6Z)-6-[[4-[3-(3,5-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)	2.86	10.61	-20.94	1	8	0	99	461.518	8	↓ MOL2 SDF SMILES Flexibase

20236472

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-6-[[4-[3-(2,4-dimethylphenoxy)propoxy]-3-methoxy-phenyl]methylene]-7-imino-2-methyl-isoxazolo[2 (6Z)-6-[[4-[3-(2,4-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)	2.86	10.69	-20.73	1	8	0	99	461.518	8	↓ MOL2 SDF SMILES Flexibase

20236476

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-6-[[4-[3-(2,5-dimethylphenoxy)propoxy]-3-methoxy-phenyl]methylene]-7-imino-2-methyl-isoxazolo[2 (6Z)-6-[[4-[3-(2,5-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)	2.86	10.69	-20.74	1	8	0	99	461.518	8	↓ MOL2 SDF SMILES Flexibase

20236479

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-6-[[4-[3-(2,6-dimethylphenoxy)propoxy]-3-methoxy-phenyl]methylene]-7-imino-2-methyl-isoxazolo[2 (6Z)-6-[[4-[3-(2,6-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)	2.83	10.71	-20.44	1	8	0	99	461.518	8	↓ MOL2 SDF SMILES Flexibase

20236482

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-6-[[4-[3-(2-chlorophenoxy)propoxy]-3-methoxy-phenyl]methylene]-7-imino-2-methyl-isoxazolo[2,3-a (6Z)-6-[[4-[3-(2-chlorophenoxy)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)	2.66	9.84	-24.62	1	8	0	99	467.909	8	↓ MOL2 SDF SMILES Flexibase

20236486

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-6-[[4-[3-(2,3-dimethylphenoxy)propoxy]-3-methoxy-phenyl]methylene]-7-imino-2-methyl-isoxazolo[2 (6Z)-6-[[4-[3-(2,3-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)	2.83	10.58	-20.85	1	8	0	99	461.518	8	↓ MOL2 SDF SMILES Flexibase

20236489

Analogs

Draw Identity 99% 90% 80% 70%

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

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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	10.72	-20.51	1	8	0	99	461.518	9	↓ MOL2 SDF SMILES Flexibase

20236493

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-6-[[4-[3-(3,4-dimethylphenoxy)propoxy]-3-methoxy-phenyl]methylene]-7-imino-2-methyl-isoxazolo[2 (6Z)-6-[[4-[3-(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)	2.86	10.5	-21.01	1	8	0	99	461.518	8	↓ MOL2 SDF SMILES Flexibase

20236496

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-7-imino-6-[[3-methoxy-4-[3-(2-methoxyphenoxy)propoxy]phenyl]methylene]-2-methyl-isoxazolo[2,3-a (6Z)-7-imino-6-[[3-methoxy-4-[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)	1.65	9.18	-26.12	1	9	0	108	463.49	9	↓ MOL2 SDF SMILES Flexibase

20236499

Analogs

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Popular Name: (6Z)-7-imino-6-[[3-methoxy-4-[3-(2-methylphenoxy)propoxy]phenyl]methylene]-2-methyl-isoxazolo[2,3-a] (6Z)-7-imino-6-[[3-methoxy-4-[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)	2.43	10.03	-20.72	1	8	0	99	447.491	8	↓ MOL2 SDF SMILES Flexibase

20236502

Analogs

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Popular Name: (6Z)-7-imino-6-[[3-methoxy-4-[3-(3-methoxyphenoxy)propoxy]phenyl]methylene]-2-methyl-isoxazolo[2,3-a (6Z)-7-imino-6-[[3-methoxy-4-[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)	2.07	8.57	-25.33	1	9	0	108	463.49	9	↓ MOL2 SDF SMILES Flexibase

20236505

Analogs

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Popular Name: (6Z)-6-[[3-ethoxy-4-[3-(4-methoxyphenoxy)propoxy]phenyl]methylene]-7-imino-2-methyl-isoxazolo[2,3-a] (6Z)-6-[[3-ethoxy-4-[3-(4-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)	2.47	9.48	-21.47	1	9	0	108	477.517	10	↓ MOL2 SDF SMILES Flexibase

20236508

Analogs

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Popular Name: (6Z)-6-[[3-ethoxy-4-[3-(2-methoxyphenoxy)propoxy]phenyl]methylene]-7-imino-2-methyl-isoxazolo[2,3-a] (6Z)-6-[[3-ethoxy-4-[3-(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)	2.02	10.1	-23.49	1	9	0	108	477.517	10	↓ MOL2 SDF SMILES Flexibase

20236511

Analogs

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Popular Name: (6Z)-6-[[3-ethoxy-4-[3-(2-methylphenoxy)propoxy]phenyl]methylene]-7-imino-2-methyl-isoxazolo[2,3-a]p (6Z)-6-[[3-ethoxy-4-[3-(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)	2.81	10.95	-20.54	1	8	0	99	461.518	9	↓ MOL2 SDF SMILES Flexibase

20236515

Analogs

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Popular Name: (6Z)-6-[[3-ethoxy-4-[3-(3-methoxyphenoxy)propoxy]phenyl]methylene]-7-imino-2-methyl-isoxazolo[2,3-a] (6Z)-6-[[3-ethoxy-4-[3-(3-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)	2.44	9.49	-22.57	1	9	0	108	477.517	10	↓ MOL2 SDF SMILES Flexibase

20236518

Analogs

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Popular Name: (6Z)-6-[[3-chloro-5-methoxy-4-[3-(4-methoxyphenoxy)propoxy]phenyl]methylene]-7-imino-2-methyl-isoxaz (6Z)-6-[[3-chloro-5-methoxy-4-[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)	2.89	9.23	-22.87	1	9	0	108	497.935	9	↓ MOL2 SDF SMILES Flexibase

20236521

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-6-[[3-chloro-5-methoxy-4-[3-(2-methoxyphenoxy)propoxy]phenyl]methylene]-7-imino-2-methyl-isoxaz (6Z)-6-[[3-chloro-5-methoxy-4-[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)	2.45	9.85	-25.01	1	9	0	108	497.935	9	↓ MOL2 SDF SMILES Flexibase

20236524

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-6-[[3-chloro-5-methoxy-4-[3-(3-methoxyphenoxy)propoxy]phenyl]methylene]-7-imino-2-methyl-isoxaz (6Z)-6-[[3-chloro-5-methoxy-4-[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)	2.87	9.25	-24.06	1	9	0	108	497.935	9	↓ MOL2 SDF SMILES Flexibase

20236527

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-6-[[3-chloro-5-ethoxy-4-[3-(2-methoxyphenoxy)propoxy]phenyl]methylene]-7-imino-2-methyl-isoxazo (6Z)-6-[[3-chloro-5-ethoxy-4-[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)	2.83	10.76	-24.6	1	9	0	108	511.962	10	↓ MOL2 SDF SMILES Flexibase

20236846

Analogs

Draw Identity 99% 90% 80% 70%

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

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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	9.92	-22.92	1	7	0	90	437.883	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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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 = 67903 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
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