ZINC 12

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ZINC Item

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55472171

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-3-(2-methoxyethyl)-2-(2-methoxy-1-naphthalenyl)- 4(1H)-quinazolinone, 2,3-dihydro…

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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)	3.30	9.59	-10.41	1	5	0	51	362.429	5	↓ MOL2 SDF SMILES Flexibase

55472172

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-3-(2-methoxyethyl)-2-(2-methoxy-1-naphthalenyl)- 4(1H)-quinazolinone, 2,3-dihydro…

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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)	3.30	9.35	-9.15	1	5	0	51	362.429	5	↓ MOL2 SDF SMILES Flexibase

66119118

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-3-(1-methylethyl)-2-(1-naphthalenyl)- 4(1H)-quinazolinone, 2,3-dihydro…

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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)	3.98	10.31	-10.25	1	3	0	32	316.404	2	↓ MOL2 SDF SMILES Flexibase

66119120

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-3-(1-methylethyl)-2-(1-naphthalenyl)- 4(1H)-quinazolinone, 2,3-dihydro…

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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)	3.98	10.29	-10.25	1	3	0	32	316.404	2	↓ MOL2 SDF SMILES Flexibase

66119158

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-(2-methoxy-1-naphthalenyl)-3-(1-methylethyl)- 4(1H)-quinazolinone, 2,3-dihydro…

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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)	3.98	11.07	-9.1	1	4	0	42	346.43	3	↓ MOL2 SDF SMILES Flexibase

66119161

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-(2-methoxy-1-naphthalenyl)-3-(1-methylethyl)- 4(1H)-quinazolinone, 2,3-dihydro…

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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)	3.98	10.58	-9.44	1	4	0	42	346.43	3	↓ MOL2 SDF SMILES Flexibase

66119395

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2-(2-ethoxy-1-naphthalenyl)-2,3-dihydro-3-(1-methylethyl)- 4(1H)-quinazolinone, 2-(2-ethoxy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.36	11.55	-7.8	1	4	0	42	360.457	4	↓ MOL2 SDF SMILES Flexibase

66119398

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2-(2-ethoxy-1-naphthalenyl)-2,3-dihydro-3-(1-methylethyl)- 4(1H)-quinazolinone, 2-(2-ethoxy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.36	11.5	-7.79	1	4	0	42	360.457	4	↓ MOL2 SDF SMILES Flexibase

66127477

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-3-(1-methylethyl)-2-(2-propoxy-1-naphthalenyl)- 4(1H)-quinazolinone, 2,3-dihydro…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.86	12.25	-7.7	1	4	0	42	374.484	5	↓ MOL2 SDF SMILES Flexibase

66127478

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-3-(1-methylethyl)-2-(2-propoxy-1-naphthalenyl)- 4(1H)-quinazolinone, 2,3-dihydro…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.86	12.26	-7.67	1	4	0	42	374.484	5	↓ MOL2 SDF SMILES Flexibase

66127479

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2-(2-butoxy-1-naphthalenyl)-2,3-dihydro-3-(1-methylethyl)- 4(1H)-quinazolinone, 2-(2-butoxy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.42	13.03	-7.6	1	4	0	42	388.511	6	↓ MOL2 SDF SMILES Flexibase

66127480

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2-(2-butoxy-1-naphthalenyl)-2,3-dihydro-3-(1-methylethyl)- 4(1H)-quinazolinone, 2-(2-butoxy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.42	13.03	-7.52	1	4	0	42	388.511	6	↓ MOL2 SDF SMILES Flexibase

66127481

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-3-(1-methylethyl)-2-[2-(pentyloxy)-1-naphthalenyl]- 4(1H)-quinazolinone, 2,3-dihydro…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.93	13.81	-7.5	1	4	0	42	402.538	7	↓ MOL2 SDF SMILES Flexibase

66127482

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-3-(1-methylethyl)-2-[2-(pentyloxy)-1-naphthalenyl]- 4(1H)-quinazolinone, 2,3-dihydro…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.93	13.81	-7.41	1	4	0	42	402.538	7	↓ MOL2 SDF SMILES Flexibase

66127483

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2-[2-(hexyloxy)-1-naphthalenyl]-2,3-dihydro-3-(1-methylethyl)- 4(1H)-quinazolinone, 2-[2-(hexyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.43	14.59	-7.47	1	4	0	42	416.565	8	↓ MOL2 SDF SMILES Flexibase

66127484

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2-[2-(hexyloxy)-1-naphthalenyl]-2,3-dihydro-3-(1-methylethyl)- 4(1H)-quinazolinone, 2-[2-(hexyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.43	14.59	-7.35	1	4	0	42	416.565	8	↓ MOL2 SDF SMILES Flexibase

66127485

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-[2-(1-methylethoxy)-1-naphthalenyl]-3-(1-methylethyl)- 4(1H)-quinazolinone, 2,3-dihydro…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.72	11.74	-7.68	1	4	0	42	374.484	4	↓ MOL2 SDF SMILES Flexibase

66127486

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-[2-(1-methylethoxy)-1-naphthalenyl]-3-(1-methylethyl)- 4(1H)-quinazolinone, 2,3-dihydro…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.72	11.85	-7.7	1	4	0	42	374.484	4	↓ MOL2 SDF SMILES Flexibase

66127487

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-3-(1-methylethyl)-2-[2-(1-methylpropoxy)-1-naphthalenyl]- 4(1H)-quinazolinone, 2,3-dihydro…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.23	12.32	-6.9	1	4	0	42	388.511	5	↓ MOL2 SDF SMILES Flexibase

66127488

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-3-(1-methylethyl)-2-[2-(1-methylpropoxy)-1-naphthalenyl]- 4(1H)-quinazolinone, 2,3-dihydro…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.23	12.26	-11.75	1	4	0	42	388.511	5	↓ MOL2 SDF SMILES Flexibase

66127489

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-3-(1-methylethyl)-2-[2-(1-methylpropoxy)-1-naphthalenyl]- 4(1H)-quinazolinone, 2,3-dihydro…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.23	12.47	-11.57	1	4	0	42	388.511	5	↓ MOL2 SDF SMILES Flexibase

66127490

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-3-(1-methylethyl)-2-[2-(1-methylpropoxy)-1-naphthalenyl]- 4(1H)-quinazolinone, 2,3-dihydro…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.23	12.32	-6.97	1	4	0	42	388.511	5	↓ MOL2 SDF SMILES Flexibase

66127491

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-[2-(3-methylbutoxy)-1-naphthalenyl]-3-(1-methylethyl)- 4(1H)-quinazolinone, 2,3-dihydro…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.64	13.57	-7.47	1	4	0	42	402.538	6	↓ MOL2 SDF SMILES Flexibase

66127492

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-[2-(3-methylbutoxy)-1-naphthalenyl]-3-(1-methylethyl)- 4(1H)-quinazolinone, 2,3-dihydro…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.64	13.55	-7.36	1	4	0	42	402.538	6	↓ MOL2 SDF SMILES Flexibase

66127493

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-3-(1-methylethyl)-2-[2-(2-methylpropoxy)-1-naphthalenyl]- 4(1H)-quinazolinone, 2,3-dihydro…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.11	11.89	-9.28	1	4	0	42	388.511	5	↓ MOL2 SDF SMILES Flexibase

66127494

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-3-(1-methylethyl)-2-[2-(2-methylpropoxy)-1-naphthalenyl]- 4(1H)-quinazolinone, 2,3-dihydro…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.11	12.29	-11.06	1	4	0	42	388.511	5	↓ MOL2 SDF SMILES Flexibase

66127495

Analogs

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Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-[2-(2-methoxyethoxy)-1-naphthalenyl]-3-(1-methylethyl)- 4(1H)-quinazolinone, 2,3-dihydro…

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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)	3.88	11.37	-7.64	1	5	0	51	390.483	6	↓ MOL2 SDF SMILES Flexibase

66127496

Analogs

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Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-[2-(2-methoxyethoxy)-1-naphthalenyl]-3-(1-methylethyl)- 4(1H)-quinazolinone, 2,3-dihydro…

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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)	3.88	9.77	-10.94	1	5	0	51	390.483	6	↓ MOL2 SDF SMILES Flexibase

66127497

Analogs

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Popular Name: 4(1H)-quinazolinone, 2-[2-(2-ethoxyethoxy)-1-naphthalenyl]-2,3-dihydro-3-(1-methylethyl)- 4(1H)-quinazolinone, 2-[2-(2-eth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.25	12.34	-7.55	1	5	0	51	404.51	7	↓ MOL2 SDF SMILES Flexibase

66127498

Analogs

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Popular Name: 4(1H)-quinazolinone, 2-[2-(2-ethoxyethoxy)-1-naphthalenyl]-2,3-dihydro-3-(1-methylethyl)- 4(1H)-quinazolinone, 2-[2-(2-eth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.25	10.47	-10.95	1	5	0	51	404.51	7	↓ MOL2 SDF SMILES Flexibase

66127691

Analogs

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Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-(1-naphthalenyl)-3-propyl- 4(1H)-quinazolinone, 2,3-dihydro…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.18	10.58	-10.89	1	3	0	32	316.404	3	↓ MOL2 SDF SMILES Flexibase

66127692

Analogs

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Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-(1-naphthalenyl)-3-propyl- 4(1H)-quinazolinone, 2,3-dihydro…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.18	10.44	-10.91	1	3	0	32	316.404	3	↓ MOL2 SDF SMILES Flexibase

66127697

Analogs

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Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-(2-methoxy-1-naphthalenyl)-3-propyl- 4(1H)-quinazolinone, 2,3-dihydro…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.19	11.23	-10.96	1	4	0	42	346.43	4	↓ MOL2 SDF SMILES Flexibase

66127698

Analogs

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Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-(2-methoxy-1-naphthalenyl)-3-propyl- 4(1H)-quinazolinone, 2,3-dihydro…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.19	10.93	-9.91	1	4	0	42	346.43	4	↓ MOL2 SDF SMILES Flexibase

66127807

Analogs

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Popular Name: 4(1H)-quinazolinone, 2-(2-ethoxy-1-naphthalenyl)-2,3-dihydro-3-propyl- 4(1H)-quinazolinone, 2-(2-ethoxy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.57	12.03	-10.09	1	4	0	42	360.457	5	↓ MOL2 SDF SMILES Flexibase

66127808

Analogs

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Popular Name: 4(1H)-quinazolinone, 2-(2-ethoxy-1-naphthalenyl)-2,3-dihydro-3-propyl- 4(1H)-quinazolinone, 2-(2-ethoxy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.57	11.63	-8.73	1	4	0	42	360.457	5	↓ MOL2 SDF SMILES Flexibase

66127809

Analogs

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Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-(2-propoxy-1-naphthalenyl)-3-propyl- 4(1H)-quinazolinone, 2,3-dihydro…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.07	12.83	-9.99	1	4	0	42	374.484	6	↓ MOL2 SDF SMILES Flexibase

66127810

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-(2-propoxy-1-naphthalenyl)-3-propyl- 4(1H)-quinazolinone, 2,3-dihydro…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.07	12.4	-8.62	1	4	0	42	374.484	6	↓ MOL2 SDF SMILES Flexibase

66127811

Analogs

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Popular Name: 4(1H)-quinazolinone, 2-(2-butoxy-1-naphthalenyl)-2,3-dihydro-3-propyl- 4(1H)-quinazolinone, 2-(2-butoxy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.63	13.1	-8.64	1	4	0	42	388.511	7	↓ MOL2 SDF SMILES Flexibase

66127812

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2-(2-butoxy-1-naphthalenyl)-2,3-dihydro-3-propyl- 4(1H)-quinazolinone, 2-(2-butoxy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.63	13.58	-9.92	1	4	0	42	388.511	7	↓ MOL2 SDF SMILES Flexibase

66127813

Analogs

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Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-[2-(pentyloxy)-1-naphthalenyl]-3-propyl- 4(1H)-quinazolinone, 2,3-dihydro…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.13	13.88	-8.52	1	4	0	42	402.538	8	↓ MOL2 SDF SMILES Flexibase

66127814

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-[2-(pentyloxy)-1-naphthalenyl]-3-propyl- 4(1H)-quinazolinone, 2,3-dihydro…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.13	14.36	-9.86	1	4	0	42	402.538	8	↓ MOL2 SDF SMILES Flexibase

66127815

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2-[2-(hexyloxy)-1-naphthalenyl]-2,3-dihydro-3-propyl- 4(1H)-quinazolinone, 2-[2-(hexyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.64	14.66	-8.48	1	4	0	42	416.565	9	↓ MOL2 SDF SMILES Flexibase

66127816

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2-[2-(hexyloxy)-1-naphthalenyl]-2,3-dihydro-3-propyl- 4(1H)-quinazolinone, 2-[2-(hexyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.64	15.14	-9.78	1	4	0	42	416.565	9	↓ MOL2 SDF SMILES Flexibase

66127817

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-[2-(1-methylethoxy)-1-naphthalenyl]-3-propyl- 4(1H)-quinazolinone, 2,3-dihydro…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.93	12.8	-9.63	1	4	0	42	374.484	5	↓ MOL2 SDF SMILES Flexibase

66127818

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-[2-(1-methylethoxy)-1-naphthalenyl]-3-propyl- 4(1H)-quinazolinone, 2,3-dihydro…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.93	12.11	-8.35	1	4	0	42	374.484	5	↓ MOL2 SDF SMILES Flexibase

66127819

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-[2-(1-methylpropoxy)-1-naphthalenyl]-3-propyl- 4(1H)-quinazolinone, 2,3-dihydro…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.43	13.3	-9.98	1	4	0	42	388.511	6	↓ MOL2 SDF SMILES Flexibase

66127820

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-[2-(1-methylpropoxy)-1-naphthalenyl]-3-propyl- 4(1H)-quinazolinone, 2,3-dihydro…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.43	12.52	-8.18	1	4	0	42	388.511	6	↓ MOL2 SDF SMILES Flexibase

66127821

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-[2-(1-methylpropoxy)-1-naphthalenyl]-3-propyl- 4(1H)-quinazolinone, 2,3-dihydro…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.43	13.48	-9.01	1	4	0	42	388.511	6	↓ MOL2 SDF SMILES Flexibase

66127822

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-[2-(1-methylpropoxy)-1-naphthalenyl]-3-propyl- 4(1H)-quinazolinone, 2,3-dihydro…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.43	11.6	-9.49	1	4	0	42	388.511	6	↓ MOL2 SDF SMILES Flexibase

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SQL Query Was

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