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ZINC Item

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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

20236075

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-6-[[4-[(2-chlorophenyl)methoxy]-3-ethoxy-phenyl]methylene]-7-imino-2-methyl-isoxazolo[2,3-a]pyr (6Z)-6-[[4-[(2-chlorophenyl)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)	2.68	10.37	-18.87	1	7	0	90	437.883	6	↓ MOL2 SDF SMILES Flexibase

20236078

Analogs

Draw Identity 99% 90% 80% 70%

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

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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	9.54	-20.96	1	7	0	90	468.307	5	↓ MOL2 SDF SMILES Flexibase

20236088

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	2.05	9.84	-19.41	1	7	0	90	403.438	6	↓ MOL2 SDF SMILES Flexibase

20236091

Analogs

Draw Identity 99% 90% 80% 70%

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

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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	9.58	-20.87	1	7	0	90	423.856	5	↓ MOL2 SDF SMILES Flexibase

20236094

Analogs

Draw Identity 99% 90% 80% 70%

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

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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	-20.46	1	7	0	90	437.883	6	↓ MOL2 SDF SMILES Flexibase

20236098

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	2.61	9.7	-20.66	1	7	0	90	468.307	5	↓ MOL2 SDF SMILES Flexibase

20236110

Analogs

Draw Identity 99% 90% 80% 70%

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

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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	9.95	-19.4	1	7	0	90	421.428	6	↓ MOL2 SDF SMILES Flexibase

20236114

Analogs

Draw Identity 99% 90% 80% 70%

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

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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	9.7	-20.79	1	7	0	90	441.846	5	↓ MOL2 SDF SMILES Flexibase

20236118

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-6-[[3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylene]-7-imino-2-methyl-isoxazolo[2 (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)	2.97	10.62	-20.37	1	7	0	90	455.873	6	↓ MOL2 SDF SMILES Flexibase

20236122

Analogs

Draw Identity 99% 90% 80% 70%

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

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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	9.82	-20.55	1	7	0	90	486.297	5	↓ MOL2 SDF SMILES Flexibase

20236135

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	2.21	9.91	-19.09	1	7	0	90	421.428	6	↓ MOL2 SDF SMILES Flexibase

20236139

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	2.77	9.77	-20.3	1	7	0	90	486.297	5	↓ MOL2 SDF SMILES Flexibase

20236147

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-6-[[4-[(2-chlorophenyl)methoxy]-3-methoxy-phenyl]methylene]-7-imino-2-methyl-isoxazolo[2,3-a]py (6Z)-6-[[4-[(2-chlorophenyl)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)	2.31	9.45	-19.74	1	7	0	90	423.856	5	↓ MOL2 SDF SMILES Flexibase

20236293

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	2.49	9.7	-18.98	1	6	0	81	373.412	4	↓ MOL2 SDF SMILES Flexibase

20236296

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	2.51	9.68	-18.8	1	6	0	81	373.412	4	↓ MOL2 SDF SMILES Flexibase

20236299

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	2.53	9.69	-18.78	1	6	0	81	373.412	4	↓ MOL2 SDF SMILES Flexibase

20236305

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	2.08	9.56	-19.46	1	7	0	90	403.438	5	↓ MOL2 SDF SMILES Flexibase

20236308

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	2.10	9.58	-19.62	1	7	0	90	403.438	5	↓ MOL2 SDF SMILES Flexibase

20236311

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-7-imino-6-[[3-methoxy-4-(p-tolylmethoxy)phenyl]methylene]-2-methyl-isoxazolo[2,3-a]pyrimidin-5- (6Z)-7-imino-6-[[3-methoxy-4-(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)	2.12	9.59	-19.59	1	7	0	90	403.438	5	↓ MOL2 SDF SMILES Flexibase

20236314

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-6-[[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]methylene]-7-imino-2-methyl-isoxazolo[2,3-a]py (6Z)-6-[[4-[(4-chlorophenyl)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)	2.35	9.44	-20.93	1	7	0	90	423.856	5	↓ MOL2 SDF SMILES Flexibase

20236317

Analogs

Draw Identity 99% 90% 80% 70%

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

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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	10.47	-19.33	1	7	0	90	417.465	6	↓ MOL2 SDF SMILES Flexibase

20236320

Analogs

Draw Identity 99% 90% 80% 70%

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

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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	10.5	-19.43	1	7	0	90	417.465	6	↓ MOL2 SDF SMILES Flexibase

20236323

Analogs

Draw Identity 99% 90% 80% 70%

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

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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	10.51	-19.46	1	7	0	90	417.465	6	↓ MOL2 SDF SMILES Flexibase

20236326

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-6-[[4-[(4-chlorophenyl)methoxy]-3-ethoxy-phenyl]methylene]-7-imino-2-methyl-isoxazolo[2,3-a]pyr (6Z)-6-[[4-[(4-chlorophenyl)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)	2.73	10.36	-18.7	1	7	0	90	437.883	6	↓ MOL2 SDF SMILES Flexibase

20236328

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	2.88	10.22	-19.91	1	7	0	90	437.883	5	↓ MOL2 SDF SMILES Flexibase

20236331

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	2.90	10.25	-20.13	1	7	0	90	437.883	5	↓ MOL2 SDF SMILES Flexibase

20236334

Analogs

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Popular Name: (6Z)-6-[[3-chloro-5-methoxy-4-(p-tolylmethoxy)phenyl]methylene]-7-imino-2-methyl-isoxazolo[2,3-a]pyr (6Z)-6-[[3-chloro-5-methoxy-4-(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)	2.93	10.26	-20.12	1	7	0	90	437.883	5	↓ MOL2 SDF SMILES Flexibase

20236337

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	3.01	10.34	-19.67	1	7	0	90	482.334	5	↓ MOL2 SDF SMILES Flexibase

20236340

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-6-[[3-bromo-5-methoxy-4-(p-tolylmethoxy)phenyl]methylene]-7-imino-2-methyl-isoxazolo[2,3-a]pyri (6Z)-6-[[3-bromo-5-methoxy-4-(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)	3.06	10.38	-19.9	1	7	0	90	482.334	5	↓ MOL2 SDF SMILES Flexibase

20236343

Analogs

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

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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	10.42	-22.56	1	10	0	136	513.304	6	↓ MOL2 SDF SMILES Flexibase

20236815

Analogs

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

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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	9.68	-20.62	1	6	0	81	438.281	4	↓ MOL2 SDF SMILES Flexibase

20236818

Analogs

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

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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)	2.74	11.1	-19.96	1	7	0	90	447.466	7	↓ MOL2 SDF SMILES Flexibase

20236821

Analogs

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

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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)	2.79	11.04	-20.36	1	7	0	90	447.466	7	↓ MOL2 SDF SMILES Flexibase

20236863

Analogs

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Popular Name: (6Z)-7-imino-6-[[3-methoxy-4-[(2-nitrophenyl)methoxy]phenyl]methylene]-2-methyl-isoxazolo[2,3-a]pyri (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)	1.59	9.54	-22.04	1	10	0	136	434.408	6	↓ MOL2 SDF SMILES Flexibase

20236866

Analogs

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

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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)	1.64	9.63	-24.72	1	10	0	136	434.408	6	↓ MOL2 SDF SMILES Flexibase

20236869

Analogs

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

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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)	2.01	10.55	-21.68	1	10	0	136	448.435	7	↓ MOL2 SDF SMILES Flexibase

20236872

Analogs

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

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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	10.3	-22.73	1	10	0	136	468.853	6	↓ MOL2 SDF SMILES Flexibase

20236875

Analogs

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Popular Name: (6Z)-6-[[3-bromo-5-methoxy-4-[(2-nitrophenyl)methoxy]phenyl]methylene]-7-imino-2-methyl-isoxazolo[2, (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)	2.52	10.32	-23.46	1	10	0	136	513.304	6	↓ MOL2 SDF SMILES Flexibase

20236878

Analogs

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Popular Name: (6Z)-6-[[3-chloro-5-ethoxy-4-[(2-nitrophenyl)methoxy]phenyl]methylene]-7-imino-2-methyl-isoxazolo[2, (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)	2.77	11.12	-23.26	1	10	0	136	482.88	7	↓ MOL2 SDF SMILES Flexibase

20236881

Analogs

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

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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	11.22	-22.23	1	10	0	136	482.88	7	↓ MOL2 SDF SMILES Flexibase

20236884

Analogs

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

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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	10.23	-21.35	1	9	0	126	438.827	5	↓ MOL2 SDF SMILES Flexibase

20236887

Analogs

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

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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	10.34	-21.15	1	9	0	126	483.278	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 67715
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 = 67715 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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