ZINC 12

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ZINC Item

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66127505

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	2.19	6.92	-11.01	1	3	0	32	244.338	3	↓ MOL2 SDF SMILES Flexibase

66127506

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	2.19	6.86	-10.98	1	3	0	32	244.338	3	↓ MOL2 SDF SMILES Flexibase

66127843

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2-cyclopropyl-3-ethyl-2,3-dihydro-2-methyl- 4(1H)-quinazolinone, 2-cycloprop…

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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	6.03	-10.44	1	3	0	32	230.311	2	↓ MOL2 SDF SMILES Flexibase

66127844

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2-cyclopropyl-3-ethyl-2,3-dihydro-2-methyl- 4(1H)-quinazolinone, 2-cycloprop…

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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	6.1	-10.98	1	3	0	32	230.311	2	↓ MOL2 SDF SMILES Flexibase

66128166

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2-cyclopropyl-2,3-dihydro-2,3-dimethyl- 4(1H)-quinazolinone, 2-cycloprop…

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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)	1.31	5.21	-10.23	1	3	0	32	216.284	1	↓ MOL2 SDF SMILES Flexibase

66128167

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2-cyclopropyl-2,3-dihydro-2,3-dimethyl- 4(1H)-quinazolinone, 2-cycloprop…

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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)	1.31	5.22	-10.47	1	3	0	32	216.284	1	↓ MOL2 SDF SMILES Flexibase

66128546

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2-cyclopropyl-2,3-dihydro-3-(3-methoxypropyl)-2-methyl- 4(1H)-quinazolinone, 2-cycloprop…

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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)	1.56	5.91	-12.18	1	4	0	42	274.364	5	↓ MOL2 SDF SMILES Flexibase

66128547

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2-cyclopropyl-2,3-dihydro-3-(3-methoxypropyl)-2-methyl- 4(1H)-quinazolinone, 2-cycloprop…

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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)	1.56	5.86	-11.96	1	4	0	42	274.364	5	↓ MOL2 SDF SMILES Flexibase

66128987

Analogs

Draw Identity 99% 90% 80% 70%

Notice: Undefined index: field_name in /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php on line 244

Notice: Undefined index: synonym in /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php on line 245

Popular Name:

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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)	1.53	3.43	-9.79	2	3	0	41	202.257	1	↓ MOL2 SDF SMILES Flexibase

66128988

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name:

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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)	1.53	3.43	-9.78	2	3	0	41	202.257	1	↓ MOL2 SDF SMILES Flexibase

66129269

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 3-butyl-2-cyclopropyl-2,3-dihydro-2-methyl- 4(1H)-quinazolinone, 3-butyl-2-c…

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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)	2.75	7.57	-10.24	1	3	0	32	258.365	4	↓ MOL2 SDF SMILES Flexibase

66129273

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 3-butyl-2-cyclopropyl-2,3-dihydro-2-methyl- 4(1H)-quinazolinone, 3-butyl-2-c…

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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)	2.75	7.63	-10.93	1	3	0	32	258.365	4	↓ MOL2 SDF SMILES Flexibase

66129865

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2-cyclopropyl-2,3-dihydro-3-(2-methoxyethyl)-2-methyl- 4(1H)-quinazolinone, 2-cycloprop…

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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)	1.29	5.42	-13.57	1	4	0	42	260.337	4	↓ MOL2 SDF SMILES Flexibase

66129866

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2-cyclopropyl-2,3-dihydro-3-(2-methoxyethyl)-2-methyl- 4(1H)-quinazolinone, 2-cycloprop…

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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)	1.29	5.97	-13.64	1	4	0	42	260.337	4	↓ MOL2 SDF SMILES Flexibase

66130199

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2-cyclopropyl-2,3-dihydro-2-methyl-3-(1-methylpropyl)- 4(1H)-quinazolinone, 2-cycloprop…

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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	7.57	-9.08	1	3	0	32	258.365	3	↓ MOL2 SDF SMILES Flexibase

66130200

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2-cyclopropyl-2,3-dihydro-2-methyl-3-(1-methylpropyl)- 4(1H)-quinazolinone, 2-cycloprop…

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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	7.68	-9.34	1	3	0	32	258.365	3	↓ MOL2 SDF SMILES Flexibase

66130201

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2-cyclopropyl-2,3-dihydro-2-methyl-3-(1-methylpropyl)- 4(1H)-quinazolinone, 2-cycloprop…

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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	7.76	-9.96	1	3	0	32	258.365	3	↓ MOL2 SDF SMILES Flexibase

66130202

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2-cyclopropyl-2,3-dihydro-2-methyl-3-(1-methylpropyl)- 4(1H)-quinazolinone, 2-cycloprop…

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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	7.64	-9.75	1	3	0	32	258.365	3	↓ MOL2 SDF SMILES Flexibase

66131407

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2-cyclopropyl-2,3-dihydro-2-methyl-3-(2-propenyl)- 4(1H)-quinazolinone, 2-cycloprop…

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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)	1.95	6.65	-10.42	1	3	0	32	242.322	3	↓ MOL2 SDF SMILES Flexibase

66131408

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2-cyclopropyl-2,3-dihydro-2-methyl-3-(2-propenyl)- 4(1H)-quinazolinone, 2-cycloprop…

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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)	1.95	6.59	-9.95	1	3	0	32	242.322	3	↓ MOL2 SDF SMILES Flexibase

49283124

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-cyclopropyl-3-isobutyl-1,2-dihydroquinazolin-4-one (2R)-2-cyclopropyl-3-isobutyl-1,…

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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)	2.54	7.35	-9.41	1	3	0	32	244.338	3	↓ MOL2 SDF SMILES Flexibase

49283126

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-cyclopropyl-3-isobutyl-1,2-dihydroquinazolin-4-one (2S)-2-cyclopropyl-3-isobutyl-1,…

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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)	2.54	7.44	-9.63	1	3	0	32	244.338	3	↓ MOL2 SDF SMILES Flexibase

49283168

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-cyclopropyl-3-methyl-1,2-dihydroquinazolin-4-one (2R)-2-cyclopropyl-3-methyl-1,2-…

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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)	1.42	5.15	-10	1	3	0	32	202.257	1	↓ MOL2 SDF SMILES Flexibase

49283170

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-cyclopropyl-3-methyl-1,2-dihydroquinazolin-4-one (2S)-2-cyclopropyl-3-methyl-1,2-…

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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)	1.42	5.3	-10.32	1	3	0	32	202.257	1	↓ MOL2 SDF SMILES Flexibase

49283176

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-cyclopropyl-3-(2,2,2-trifluoroethyl)-1,2-dihydroquinazolin-4-one (2R)-2-cyclopropyl-3-(2,2,2-trif…

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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	6.38	-9.85	1	3	0	32	270.254	3	↓ MOL2 SDF SMILES Flexibase

49283178

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-cyclopropyl-3-(2,2,2-trifluoroethyl)-1,2-dihydroquinazolin-4-one (2S)-2-cyclopropyl-3-(2,2,2-trif…

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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	6.3	-11.71	1	3	0	32	270.254	3	↓ MOL2 SDF SMILES Flexibase

49283197

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-cyclopropyl-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one (2R)-2-cyclopropyl-3-(2-methoxye…

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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)	1.40	5.21	-8.77	1	4	0	42	246.31	4	↓ MOL2 SDF SMILES Flexibase

49283199

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-cyclopropyl-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one (2S)-2-cyclopropyl-3-(2-methoxye…

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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)	1.40	5.58	-9.31	1	4	0	42	246.31	4	↓ MOL2 SDF SMILES Flexibase

49283201

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R)-2-cyclopropyl-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methyl-acetamide 2-[(2R)-2-cyclopropyl-3-methyl-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)	1.27	5.56	-20.02	1	5	0	53	273.336	3	↓ MOL2 SDF SMILES Flexibase

49283203

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-2-cyclopropyl-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methyl-acetamide 2-[(2S)-2-cyclopropyl-3-methyl-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)	1.27	5.58	-20.58	1	5	0	53	273.336	3	↓ MOL2 SDF SMILES Flexibase

49283213

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-cyclopropyl-3-ethyl-1,2-dihydroquinazolin-4-one (2R)-2-cyclopropyl-3-ethyl-1,2-d…

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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)	1.80	6.07	-10.11	1	3	0	32	216.284	2	↓ MOL2 SDF SMILES Flexibase

49283215

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-cyclopropyl-3-ethyl-1,2-dihydroquinazolin-4-one (2S)-2-cyclopropyl-3-ethyl-1,2-d…

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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)	1.80	6.16	-10.57	1	3	0	32	216.284	2	↓ MOL2 SDF SMILES Flexibase

49283225

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-6-chloro-2-cyclopropyl-3-methyl-1,2-dihydroquinazolin-4-one (2R)-6-chloro-2-cyclopropyl-3-me…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.07	5.66	-10.22	1	3	0	32	236.702	1	↓ MOL2 SDF SMILES Flexibase

49283227

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-6-chloro-2-cyclopropyl-3-methyl-1,2-dihydroquinazolin-4-one (2S)-6-chloro-2-cyclopropyl-3-me…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.07	5.81	-10.57	1	3	0	32	236.702	1	↓ MOL2 SDF SMILES Flexibase

49283237

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-7-chloro-2-cyclopropyl-3-methyl-1,2-dihydroquinazolin-4-one (2R)-7-chloro-2-cyclopropyl-3-me…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.07	5.67	-8.23	1	3	0	32	236.702	1	↓ MOL2 SDF SMILES Flexibase

49283239

Analogs

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Popular Name: (2S)-7-chloro-2-cyclopropyl-3-methyl-1,2-dihydroquinazolin-4-one (2S)-7-chloro-2-cyclopropyl-3-me…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.07	5.82	-8.46	1	3	0	32	236.702	1	↓ MOL2 SDF SMILES Flexibase

49283249

Analogs

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Popular Name: (2R)-7-chloro-2-cyclopropyl-3-propyl-1,2-dihydroquinazolin-4-one (2R)-7-chloro-2-cyclopropyl-3-pr…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.95	7.34	-8.19	1	3	0	32	264.756	3	↓ MOL2 SDF SMILES Flexibase

49283251

Analogs

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Popular Name: (2S)-7-chloro-2-cyclopropyl-3-propyl-1,2-dihydroquinazolin-4-one (2S)-7-chloro-2-cyclopropyl-3-pr…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.95	7.42	-8.6	1	3	0	32	264.756	3	↓ MOL2 SDF SMILES Flexibase

49283261

Analogs

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Popular Name: (2R)-7-chloro-2-cyclopropyl-3-ethyl-1,2-dihydroquinazolin-4-one (2R)-7-chloro-2-cyclopropyl-3-et…

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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	6.58	-8.32	1	3	0	32	250.729	2	↓ MOL2 SDF SMILES Flexibase

49283263

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-7-chloro-2-cyclopropyl-3-ethyl-1,2-dihydroquinazolin-4-one (2S)-7-chloro-2-cyclopropyl-3-et…

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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	6.68	-8.71	1	3	0	32	250.729	2	↓ MOL2 SDF SMILES Flexibase

49283273

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-6-chloro-2-cyclopropyl-2,3-dihydro-1H-quinazolin-4-one (2R)-6-chloro-2-cyclopropyl-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)	2.30	3.74	-9.9	2	3	0	41	222.675	1	↓ MOL2 SDF SMILES Flexibase

49283275

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-6-chloro-2-cyclopropyl-2,3-dihydro-1H-quinazolin-4-one (2S)-6-chloro-2-cyclopropyl-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)	2.30	3.74	-10.21	2	3	0	41	222.675	1	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 265959
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 = 265959 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=265959&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": "265959"        

    });
</script>

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