ZINC 12

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ZINC Item

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66132913

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-[2-(phenylmethoxy)phenyl]-3-(2-propenyl)- 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)	4.39	12.54	-9.96	1	4	0	42	370.452	6	↓ MOL2 SDF SMILES Flexibase

66132914

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-[2-(phenylmethoxy)phenyl]-3-(2-propenyl)- 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)	4.39	11.55	-10.18	1	4	0	42	370.452	6	↓ MOL2 SDF SMILES Flexibase

66132915

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-3-(1-methylethyl)-2-[2-(phenylmethoxy)phenyl]- 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)	4.42	12.12	-9.86	1	4	0	42	372.468	5	↓ MOL2 SDF SMILES Flexibase

66132916

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-3-(1-methylethyl)-2-[2-(phenylmethoxy)phenyl]- 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)	4.42	12.12	-9.86	1	4	0	42	372.468	5	↓ MOL2 SDF SMILES Flexibase

66132917

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-[2-(phenylmethoxy)phenyl]-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)	4.63	12.73	-9.89	1	4	0	42	372.468	6	↓ MOL2 SDF SMILES Flexibase

66132918

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-[2-(phenylmethoxy)phenyl]-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)	4.63	11.81	-10.13	1	4	0	42	372.468	6	↓ MOL2 SDF SMILES Flexibase

66132919

Analogs

15249689
15249692

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 3-ethyl-2,3-dihydro-2-[2-(phenylmethoxy)phenyl]- 4(1H)-quinazolinone, 3-ethyl-2,3…

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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)	4.12	11.98	-10.05	1	4	0	42	358.441	5	↓ MOL2 SDF SMILES Flexibase

66132920

Analogs

15249689
15249692

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 3-ethyl-2,3-dihydro-2-[2-(phenylmethoxy)phenyl]- 4(1H)-quinazolinone, 3-ethyl-2,3…

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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)	4.12	11.06	-10.22	1	4	0	42	358.441	5	↓ MOL2 SDF SMILES Flexibase

66132921

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-3-(3-methoxypropyl)-2-[2-(phenylmethoxy)phenyl]- 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)	4.00	11.8	-11.35	1	5	0	51	402.494	8	↓ MOL2 SDF SMILES Flexibase

66132922

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-3-(3-methoxypropyl)-2-[2-(phenylmethoxy)phenyl]- 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)	4.00	10.88	-11.45	1	5	0	51	402.494	8	↓ MOL2 SDF SMILES Flexibase

66132923

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 3-butyl-2,3-dihydro-2-[2-(phenylmethoxy)phenyl]- 4(1H)-quinazolinone, 3-butyl-2,3…

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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)	5.19	13.51	-9.85	1	4	0	42	386.495	7	↓ MOL2 SDF SMILES Flexibase

66132924

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 3-butyl-2,3-dihydro-2-[2-(phenylmethoxy)phenyl]- 4(1H)-quinazolinone, 3-butyl-2,3…

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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)	5.19	12.59	-10.06	1	4	0	42	386.495	7	↓ MOL2 SDF SMILES Flexibase

66132925

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-3-(1-methylpropyl)-2-[2-(phenylmethoxy)phenyl]- 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)	4.96	12.81	-9.23	1	4	0	42	386.495	6	↓ MOL2 SDF SMILES Flexibase

66132926

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-3-(1-methylpropyl)-2-[2-(phenylmethoxy)phenyl]- 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)	4.96	13.47	-8.81	1	4	0	42	386.495	6	↓ MOL2 SDF SMILES Flexibase

66132927

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-3-(1-methylpropyl)-2-[2-(phenylmethoxy)phenyl]- 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)	4.96	13.55	-8.84	1	4	0	42	386.495	6	↓ MOL2 SDF SMILES Flexibase

66132928

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-3-(1-methylpropyl)-2-[2-(phenylmethoxy)phenyl]- 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)	4.96	12.77	-9.16	1	4	0	42	386.495	6	↓ MOL2 SDF SMILES Flexibase

66133857

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-methyl-2-[2-(phenylmethoxy)phenyl]- 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)	4.42	8.83	-11.78	2	4	0	50	344.414	4	↓ MOL2 SDF SMILES Flexibase

66133858

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-methyl-2-[2-(phenylmethoxy)phenyl]- 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)	4.42	8.82	-11.79	2	4	0	50	344.414	4	↓ MOL2 SDF SMILES Flexibase

66133863

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-methyl-2-[2-(phenylmethoxy)phenyl]-3-(2-propenyl)- 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)	4.84	12.51	-9.79	1	4	0	42	384.479	6	↓ MOL2 SDF SMILES Flexibase

66133864

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-methyl-2-[2-(phenylmethoxy)phenyl]-3-(2-propenyl)- 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)	4.84	12.1	-9.74	1	4	0	42	384.479	6	↓ MOL2 SDF SMILES Flexibase

66133871

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-methyl-3-(1-methylethyl)-2-[2-(phenylmethoxy)phenyl]- 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)	4.87	12.25	-9.23	1	4	0	42	386.495	5	↓ MOL2 SDF SMILES Flexibase

66133872

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-methyl-3-(1-methylethyl)-2-[2-(phenylmethoxy)phenyl]- 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)	4.87	12.26	-9.24	1	4	0	42	386.495	5	↓ MOL2 SDF SMILES Flexibase

66133873

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-methyl-2-[2-(phenylmethoxy)phenyl]-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	12.31	-10.02	1	4	0	42	386.495	6	↓ MOL2 SDF SMILES Flexibase

66133874

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-methyl-2-[2-(phenylmethoxy)phenyl]-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	12.73	-10.11	1	4	0	42	386.495	6	↓ MOL2 SDF SMILES Flexibase

66133875

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 3-ethyl-2,3-dihydro-2-methyl-2-[2-(phenylmethoxy)phenyl]- 4(1H)-quinazolinone, 3-ethyl-2,3…

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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)	4.57	11.58	-10.1	1	4	0	42	372.468	5	↓ MOL2 SDF SMILES Flexibase

66133876

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 3-ethyl-2,3-dihydro-2-methyl-2-[2-(phenylmethoxy)phenyl]- 4(1H)-quinazolinone, 3-ethyl-2,3…

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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)	4.57	11.96	-10.29	1	4	0	42	372.468	5	↓ MOL2 SDF SMILES Flexibase

66133877

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2,3-dimethyl-2-[2-(phenylmethoxy)phenyl]- 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	11.18	-10.13	1	4	0	42	358.441	4	↓ MOL2 SDF SMILES Flexibase

66133878

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2,3-dimethyl-2-[2-(phenylmethoxy)phenyl]- 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	11.14	-10.31	1	4	0	42	358.441	4	↓ MOL2 SDF SMILES Flexibase

66133879

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-3-(3-methoxypropyl)-2-methyl-2-[2-(phenylmethoxy)phenyl]- 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)	4.45	11.78	-11.32	1	5	0	51	416.521	8	↓ MOL2 SDF SMILES Flexibase

66133880

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-3-(3-methoxypropyl)-2-methyl-2-[2-(phenylmethoxy)phenyl]- 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)	4.45	11.39	-11.47	1	5	0	51	416.521	8	↓ MOL2 SDF SMILES Flexibase

66133881

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 3-butyl-2,3-dihydro-2-methyl-2-[2-(phenylmethoxy)phenyl]- 4(1H)-quinazolinone, 3-butyl-2,3…

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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)	5.63	13.09	-9.88	1	4	0	42	400.522	7	↓ MOL2 SDF SMILES Flexibase

66133882

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 3-butyl-2,3-dihydro-2-methyl-2-[2-(phenylmethoxy)phenyl]- 4(1H)-quinazolinone, 3-butyl-2,3…

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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)	5.63	13.5	-10.07	1	4	0	42	400.522	7	↓ MOL2 SDF SMILES Flexibase

66133883

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-3-(2-methoxyethyl)-2-methyl-2-[2-(phenylmethoxy)phenyl]- 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	11.1	-12.56	1	5	0	51	402.494	7	↓ MOL2 SDF SMILES Flexibase

66133884

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-3-(2-methoxyethyl)-2-methyl-2-[2-(phenylmethoxy)phenyl]- 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	11.74	-11.99	1	5	0	51	402.494	7	↓ MOL2 SDF SMILES Flexibase

66133885

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Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-methyl-3-(1-methylpropyl)-2-[2-(phenylmethoxy)phenyl]- 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)	5.40	13.03	-10.24	1	4	0	42	400.522	6	↓ MOL2 SDF SMILES Flexibase

66133886

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-methyl-3-(1-methylpropyl)-2-[2-(phenylmethoxy)phenyl]- 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)	5.40	13.17	-9.13	1	4	0	42	400.522	6	↓ MOL2 SDF SMILES Flexibase

66133887

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-methyl-3-(1-methylpropyl)-2-[2-(phenylmethoxy)phenyl]- 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)	5.40	13.23	-9.06	1	4	0	42	400.522	6	↓ MOL2 SDF SMILES Flexibase

66133888

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-methyl-3-(1-methylpropyl)-2-[2-(phenylmethoxy)phenyl]- 4(1H)-quinazolinone, 2,3-dihydro…

Find On: PubMed — Wikipedia — Google

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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)	5.40	12.88	-10.37	1	4	0	42	400.522	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 273251
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 = 273251 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=273251&filter.purchasability=annotated

Embed Link to Results

<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
        "ring.id": "273251"        

    });
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