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ZINC Item

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41550701

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-2-oxo-chromene-4-carboxamide 7-methoxy-N-[(1-methylpyrazol-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)	0.94	5.23	-12.99	1	7	0	86	313.313	4	↓ MOL2 SDF SMILES Flexibase

41550704

Analogs

40763109

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-7-methoxy-N-methyl-2-oxo-chromene-4-carboxamide N-[(1-ethyl-3,5-dimethyl-pyrazol…

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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)	1.54	8.74	-12.58	0	7	0	78	369.421	5	↓ MOL2 SDF SMILES Flexibase

41550757

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-methoxy-N-methyl-2-oxo-chromene-4-carboxamide N-[(1,3-dimethylpyrazol-4-yl)met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.94	7.62	-14.63	0	7	0	78	341.367	4	↓ MOL2 SDF SMILES Flexibase

41550760

Analogs

41550763

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-7-methoxy-2-oxo-chromene-4-carboxamide N-[(1R)-1-(1,3-dimethylpyrazol-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)	1.72	6.56	-13.54	1	7	0	86	341.367	4	↓ MOL2 SDF SMILES Flexibase

41550763

Analogs

41550760

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-7-methoxy-2-oxo-chromene-4-carboxamide N-[(1S)-1-(1,3-dimethylpyrazol-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)	1.72	6.54	-13.53	1	7	0	86	341.367	4	↓ MOL2 SDF SMILES Flexibase

41550820

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-ethylpyrazol-4-yl)methyl]-7-methoxy-2-oxo-chromene-4-carboxamide N-[(1-ethylpyrazol-4-yl)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)	1.32	6.1	-12.76	1	7	0	86	327.34	5	↓ MOL2 SDF SMILES Flexibase

41550823

Analogs

41550826

Draw Identity 99% 90% 80% 70%

Popular Name: 7-methoxy-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-2-oxo-chromene-4-carboxamide 7-methoxy-N-[(1S)-1-(1-methylpyr…

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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)	1.50	6	-12.95	1	7	0	86	327.34	4	↓ MOL2 SDF SMILES Flexibase

41550826

Analogs

41550823

Draw Identity 99% 90% 80% 70%

Popular Name: 7-methoxy-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-2-oxo-chromene-4-carboxamide 7-methoxy-N-[(1R)-1-(1-methylpyr…

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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)	1.50	5.99	-12.93	1	7	0	86	327.34	4	↓ MOL2 SDF SMILES Flexibase

41550907

Analogs

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Popular Name: N-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-7-methoxy-2-oxo-chromene-4-carboxamide N-[(1-ethyl-3-methyl-pyrazol-4-y…

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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)	1.54	6.66	-12.74	1	7	0	86	341.367	5	↓ MOL2 SDF SMILES Flexibase

41550909

Analogs

40763108

Draw Identity 99% 90% 80% 70%

Popular Name: 7-methoxy-N-methyl-2-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]chromene-4-carboxamide 7-methoxy-N-methyl-2-oxo-N-[(1,3…

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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)	1.16	7.87	-14.83	0	7	0	78	355.394	4	↓ MOL2 SDF SMILES Flexibase

41550967

Analogs

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Popular Name: N-[(1,5-dimethylpyrazol-4-yl)methyl]-7-methoxy-2-oxo-chromene-4-carboxamide N-[(1,5-dimethylpyrazol-4-yl)met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.17	5.67	-12.64	1	7	0	86	327.34	4	↓ MOL2 SDF SMILES Flexibase

41550970

Analogs

41550973

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-7-methoxy-2-oxo-chromene-4-carboxamide N-[(1R)-1-(1,5-dimethylpyrazol-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)	1.72	6.46	-13.01	1	7	0	86	341.367	4	↓ MOL2 SDF SMILES Flexibase

41550973

Analogs

41550970

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-7-methoxy-2-oxo-chromene-4-carboxamide N-[(1S)-1-(1,5-dimethylpyrazol-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)	1.72	6.41	-13.06	1	7	0	86	341.367	4	↓ MOL2 SDF SMILES Flexibase

41550978

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-7-methoxy-2-oxo-chromene-4-carboxamide N-[(1-ethyl-5-methyl-pyrazol-4-y…

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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)	1.54	6.5	-12.39	1	7	0	86	341.367	5	↓ MOL2 SDF SMILES Flexibase

41550997

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-ethylpyrazol-4-yl)methyl]-7-methoxy-N-methyl-2-oxo-chromene-4-carboxamide N-[(1-ethylpyrazol-4-yl)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)	1.09	7.96	-12.84	0	7	0	78	341.367	5	↓ MOL2 SDF SMILES Flexibase

41551629

Analogs

41551649

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-7-isopropoxy-2-oxo-chromene-4-carboxamide N-[(1-ethyl-3,5-dimethyl-pyrazol…

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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	8.56	-12.14	1	7	0	86	383.448	6	↓ MOL2 SDF SMILES Flexibase

41551643

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-isopropoxy-N-[(1-methylpyrazol-4-yl)methyl]-2-oxo-chromene-4-carboxamide 7-isopropoxy-N-[(1-methylpyrazol…

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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)	1.68	6.79	-11.94	1	7	0	86	341.367	5	↓ MOL2 SDF SMILES Flexibase

41551646

Analogs

41551922

Draw Identity 99% 90% 80% 70%

Popular Name: 7-isopropoxy-2-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]chromene-4-carboxamide 7-isopropoxy-2-oxo-N-[(1,3,5-tri…

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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)	2.13	7.69	-12.44	1	7	0	86	369.421	5	↓ MOL2 SDF SMILES Flexibase

41551649

Analogs

41551629

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-7-isopropoxy-N-methyl-2-oxo-chromene-4-carboxamide N-[(1-ethyl-3,5-dimethyl-pyrazol…

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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)	2.28	10.31	-12.13	0	7	0	78	397.475	6	↓ MOL2 SDF SMILES Flexibase

41551714

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-isopropoxy-N-methyl-2-oxo-chromene-4-carboxamide N-[(1,3-dimethylpyrazol-4-yl)met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.68	9.15	-13.91	0	7	0	78	369.421	5	↓ MOL2 SDF SMILES Flexibase

41551717

Analogs

41551720

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-7-isopropoxy-2-oxo-chromene-4-carboxamide N-[(1R)-1-(1,3-dimethylpyrazol-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)	2.46	8.12	-13.16	1	7	0	86	369.421	5	↓ MOL2 SDF SMILES Flexibase

41551720

Analogs

41551717

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-7-isopropoxy-2-oxo-chromene-4-carboxamide N-[(1S)-1-(1,3-dimethylpyrazol-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)	2.46	8.1	-13.09	1	7	0	86	369.421	5	↓ MOL2 SDF SMILES Flexibase

41551798

Analogs

41552026

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-ethylpyrazol-4-yl)methyl]-7-isopropoxy-2-oxo-chromene-4-carboxamide N-[(1-ethylpyrazol-4-yl)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)	2.06	7.66	-12.33	1	7	0	86	355.394	6	↓ MOL2 SDF SMILES Flexibase

41551801

Analogs

41551804

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Popular Name: 7-isopropoxy-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-2-oxo-chromene-4-carboxamide 7-isopropoxy-N-[(1S)-1-(1-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)	2.24	7.56	-12.5	1	7	0	86	355.394	5	↓ MOL2 SDF SMILES Flexibase

41551804

Analogs

41551801

Draw Identity 99% 90% 80% 70%

Popular Name: 7-isopropoxy-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-2-oxo-chromene-4-carboxamide 7-isopropoxy-N-[(1R)-1-(1-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)	2.24	7.56	-12.51	1	7	0	86	355.394	5	↓ MOL2 SDF SMILES Flexibase

41551913

Analogs

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Popular Name: N-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-7-isopropoxy-2-oxo-chromene-4-carboxamide N-[(1-ethyl-3-methyl-pyrazol-4-y…

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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)	2.28	8.22	-12.3	1	7	0	86	369.421	6	↓ MOL2 SDF SMILES Flexibase

41551922

Analogs

41551646

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Popular Name: 7-isopropoxy-N-methyl-2-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]chromene-4-carboxamide 7-isopropoxy-N-methyl-2-oxo-N-[(…

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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)	1.90	9.44	-14.36	0	7	0	78	383.448	5	↓ MOL2 SDF SMILES Flexibase

41551987

Analogs

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Popular Name: N-[(1,5-dimethylpyrazol-4-yl)methyl]-7-isopropoxy-2-oxo-chromene-4-carboxamide N-[(1,5-dimethylpyrazol-4-yl)met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.90	7.23	-12.26	1	7	0	86	355.394	5	↓ MOL2 SDF SMILES Flexibase

41551990

Analogs

41551993

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-7-isopropoxy-2-oxo-chromene-4-carboxamide N-[(1R)-1-(1,5-dimethylpyrazol-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)	2.46	8.02	-12.6	1	7	0	86	369.421	5	↓ MOL2 SDF SMILES Flexibase

41551993

Analogs

41551990

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-7-isopropoxy-2-oxo-chromene-4-carboxamide N-[(1S)-1-(1,5-dimethylpyrazol-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)	2.46	7.97	-12.64	1	7	0	86	369.421	5	↓ MOL2 SDF SMILES Flexibase

41551999

Analogs

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Popular Name: N-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-7-isopropoxy-2-oxo-chromene-4-carboxamide N-[(1-ethyl-5-methyl-pyrazol-4-y…

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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)	2.28	8.06	-11.93	1	7	0	86	369.421	6	↓ MOL2 SDF SMILES Flexibase

41552026

Analogs

41551798

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-ethylpyrazol-4-yl)methyl]-7-isopropoxy-N-methyl-2-oxo-chromene-4-carboxamide N-[(1-ethylpyrazol-4-yl)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)	1.83	9.52	-12.43	0	7	0	78	369.421	6	↓ MOL2 SDF SMILES Flexibase

41643626

Analogs

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Popular Name: 7-ethoxy-N-[(1-methylpyrazol-4-yl)methyl]-2-oxo-chromene-4-carboxamide 7-ethoxy-N-[(1-methylpyrazol-4-y…

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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)	1.32	6.16	-12.65	1	7	0	86	327.34	5	↓ MOL2 SDF SMILES Flexibase

41643628

Analogs

40756603

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Popular Name: 7-ethoxy-N-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-N-methyl-2-oxo-chromene-4-carboxamide 7-ethoxy-N-[(1-ethyl-3,5-dimethy…

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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)	1.91	9.67	-12.31	0	7	0	78	383.448	6	↓ MOL2 SDF SMILES Flexibase

41643659

Analogs

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Popular Name: N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-ethoxy-N-methyl-2-oxo-chromene-4-carboxamide N-[(1,3-dimethylpyrazol-4-yl)met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.32	8.35	-15.06	0	7	0	78	355.394	5	↓ MOL2 SDF SMILES Flexibase

41643661

Analogs

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Popular Name: N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-7-ethoxy-2-oxo-chromene-4-carboxamide N-[(1S)-1-(1,3-dimethylpyrazol-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)	2.10	7.5	-13.34	1	7	0	86	355.394	5	↓ MOL2 SDF SMILES Flexibase

41643662

Analogs

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Popular Name: N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-7-ethoxy-2-oxo-chromene-4-carboxamide N-[(1R)-1-(1,3-dimethylpyrazol-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)	2.10	7.5	-13.3	1	7	0	86	355.394	5	↓ MOL2 SDF SMILES Flexibase

41643699

Analogs

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Popular Name: 7-ethoxy-N-[(1-ethylpyrazol-4-yl)methyl]-2-oxo-chromene-4-carboxamide 7-ethoxy-N-[(1-ethylpyrazol-4-yl…

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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)	1.70	7.02	-12.5	1	7	0	86	341.367	6	↓ MOL2 SDF SMILES Flexibase

41643700

Analogs

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Popular Name: 7-ethoxy-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-2-oxo-chromene-4-carboxamide 7-ethoxy-N-[(1S)-1-(1-methylpyra…

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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)	1.88	6.93	-12.68	1	7	0	86	341.367	5	↓ MOL2 SDF SMILES Flexibase

41643702

Analogs

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Popular Name: 7-ethoxy-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-2-oxo-chromene-4-carboxamide 7-ethoxy-N-[(1R)-1-(1-methylpyra…

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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)	1.88	6.92	-12.65	1	7	0	86	341.367	5	↓ MOL2 SDF SMILES Flexibase

41643756

Analogs

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Popular Name: 7-ethoxy-N-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-2-oxo-chromene-4-carboxamide 7-ethoxy-N-[(1-ethyl-3-methyl-py…

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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)	1.92	7.58	-12.45	1	7	0	86	355.394	6	↓ MOL2 SDF SMILES Flexibase

41643758

Analogs

40756601

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Popular Name: 7-ethoxy-N-methyl-2-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]chromene-4-carboxamide 7-ethoxy-N-methyl-2-oxo-N-[(1,3,…

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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)	1.54	8.85	-16.68	0	7	0	78	369.421	5	↓ MOL2 SDF SMILES Flexibase

41643796

Analogs

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Popular Name: N-[(1,5-dimethylpyrazol-4-yl)methyl]-7-ethoxy-2-oxo-chromene-4-carboxamide N-[(1,5-dimethylpyrazol-4-yl)met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.54	6.63	-12.38	1	7	0	86	341.367	5	↓ MOL2 SDF SMILES Flexibase

41643798

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-7-ethoxy-2-oxo-chromene-4-carboxamide N-[(1S)-1-(1,5-dimethylpyrazol-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)	2.10	7.39	-12.86	1	7	0	86	355.394	5	↓ MOL2 SDF SMILES Flexibase

41643799

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-7-ethoxy-2-oxo-chromene-4-carboxamide N-[(1R)-1-(1,5-dimethylpyrazol-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)	2.10	7.38	-12.75	1	7	0	86	355.394	5	↓ MOL2 SDF SMILES Flexibase

41643803

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-ethoxy-N-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-2-oxo-chromene-4-carboxamide 7-ethoxy-N-[(1-ethyl-5-methyl-py…

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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)	1.92	7.43	-12.15	1	7	0	86	355.394	6	↓ MOL2 SDF SMILES Flexibase

41643815

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-ethoxy-N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-2-oxo-chromene-4-carboxamide 7-ethoxy-N-[(1-ethylpyrazol-4-yl…

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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)	1.47	8.89	-12.62	0	7	0	78	355.394	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

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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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