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ZINC Item

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49283108

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(3S)-tetrahydrofuran-3-yl]-2,3-dihydro-1H-quinazolin-4-one (2R)-2-[(3S)-tetrahydrofuran-3-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)	1.26	1.8	-10.55	2	4	0	50	218.256	1	↓ MOL2 SDF SMILES Flexibase

49283110

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(3S)-tetrahydrofuran-3-yl]-2,3-dihydro-1H-quinazolin-4-one (2S)-2-[(3S)-tetrahydrofuran-3-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)	1.26	1.8	-10.06	2	4	0	50	218.256	1	↓ MOL2 SDF SMILES Flexibase

49283112

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(3R)-tetrahydrofuran-3-yl]-2,3-dihydro-1H-quinazolin-4-one (2R)-2-[(3R)-tetrahydrofuran-3-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)	1.26	1.77	-10.67	2	4	0	50	218.256	1	↓ MOL2 SDF SMILES Flexibase

49283114

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(3R)-tetrahydrofuran-3-yl]-2,3-dihydro-1H-quinazolin-4-one (2S)-2-[(3R)-tetrahydrofuran-3-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)	1.26	1.77	-11.44	2	4	0	50	218.256	1	↓ MOL2 SDF SMILES Flexibase

49283116

Analogs

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Popular Name: (2R)-3-isobutyl-2-[(3S)-tetrahydrofuran-3-yl]-1,2-dihydroquinazolin-4-one (2R)-3-isobutyl-2-[(3S)-tetrahyd…

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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)	2.16	5.72	-10.34	1	4	0	42	274.364	3	↓ MOL2 SDF SMILES Flexibase

49283118

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-isobutyl-2-[(3S)-tetrahydrofuran-3-yl]-1,2-dihydroquinazolin-4-one (2S)-3-isobutyl-2-[(3S)-tetrahyd…

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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)	2.16	6.07	-9.75	1	4	0	42	274.364	3	↓ MOL2 SDF SMILES Flexibase

49283120

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-isobutyl-2-[(3R)-tetrahydrofuran-3-yl]-1,2-dihydroquinazolin-4-one (2R)-3-isobutyl-2-[(3R)-tetrahyd…

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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)	2.16	5.7	-10.7	1	4	0	42	274.364	3	↓ MOL2 SDF SMILES Flexibase

49283122

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-isobutyl-2-[(3R)-tetrahydrofuran-3-yl]-1,2-dihydroquinazolin-4-one (2S)-3-isobutyl-2-[(3R)-tetrahyd…

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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)	2.16	5.97	-10.88	1	4	0	42	274.364	3	↓ MOL2 SDF SMILES Flexibase

49283128

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-allyl-2-[(3S)-tetrahydrofuran-3-yl]-1,2-dihydroquinazolin-4-one (2R)-3-allyl-2-[(3S)-tetrahydrof…

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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	5.07	-10.56	1	4	0	42	258.321	3	↓ MOL2 SDF SMILES Flexibase

49283130

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-allyl-2-[(3S)-tetrahydrofuran-3-yl]-1,2-dihydroquinazolin-4-one (2S)-3-allyl-2-[(3S)-tetrahydrof…

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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	5.26	-9.98	1	4	0	42	258.321	3	↓ MOL2 SDF SMILES Flexibase

49283132

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-allyl-2-[(3R)-tetrahydrofuran-3-yl]-1,2-dihydroquinazolin-4-one (2R)-3-allyl-2-[(3R)-tetrahydrof…

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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	5.15	-10.87	1	4	0	42	258.321	3	↓ MOL2 SDF SMILES Flexibase

49283134

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-allyl-2-[(3R)-tetrahydrofuran-3-yl]-1,2-dihydroquinazolin-4-one (2S)-3-allyl-2-[(3R)-tetrahydrof…

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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	4.81	-11.75	1	4	0	42	258.321	3	↓ MOL2 SDF SMILES Flexibase

49283160

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-methyl-2-[(3S)-tetrahydrofuran-3-yl]-1,2-dihydroquinazolin-4-one (2R)-3-methyl-2-[(3S)-tetrahydro…

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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)	1.04	3.63	-10.68	1	4	0	42	232.283	1	↓ MOL2 SDF SMILES Flexibase

49283162

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-methyl-2-[(3S)-tetrahydrofuran-3-yl]-1,2-dihydroquinazolin-4-one (2S)-3-methyl-2-[(3S)-tetrahydro…

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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)	1.04	3.67	-10.24	1	4	0	42	232.283	1	↓ MOL2 SDF SMILES Flexibase

49283164

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-methyl-2-[(3R)-tetrahydrofuran-3-yl]-1,2-dihydroquinazolin-4-one (2R)-3-methyl-2-[(3R)-tetrahydro…

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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)	1.04	3.68	-10.91	1	4	0	42	232.283	1	↓ MOL2 SDF SMILES Flexibase

49283166

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-methyl-2-[(3R)-tetrahydrofuran-3-yl]-1,2-dihydroquinazolin-4-one (2S)-3-methyl-2-[(3R)-tetrahydro…

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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)	1.04	3.69	-11.59	1	4	0	42	232.283	1	↓ MOL2 SDF SMILES Flexibase

49283189

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-(2-methoxyethyl)-2-[(3S)-tetrahydrofuran-3-yl]-1,2-dihydroquinazolin-4-one (2R)-3-(2-methoxyethyl)-2-[(3S)-…

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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)	1.02	3.63	-9.55	1	5	0	51	276.336	4	↓ MOL2 SDF SMILES Flexibase

49283191

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-(2-methoxyethyl)-2-[(3S)-tetrahydrofuran-3-yl]-1,2-dihydroquinazolin-4-one (2S)-3-(2-methoxyethyl)-2-[(3S)-…

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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)	1.02	3.85	-12.97	1	5	0	51	276.336	4	↓ MOL2 SDF SMILES Flexibase

49283193

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-(2-methoxyethyl)-2-[(3R)-tetrahydrofuran-3-yl]-1,2-dihydroquinazolin-4-one (2R)-3-(2-methoxyethyl)-2-[(3R)-…

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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)	1.02	3.74	-9.5	1	5	0	51	276.336	4	↓ MOL2 SDF SMILES Flexibase

49283195

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-(2-methoxyethyl)-2-[(3R)-tetrahydrofuran-3-yl]-1,2-dihydroquinazolin-4-one (2S)-3-(2-methoxyethyl)-2-[(3R)-…

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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)	1.02	3.74	-14.05	1	5	0	51	276.336	4	↓ MOL2 SDF SMILES Flexibase

49283205

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-ethyl-2-[(3S)-tetrahydrofuran-3-yl]-1,2-dihydroquinazolin-4-one (2R)-3-ethyl-2-[(3S)-tetrahydrof…

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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)	1.41	4.5	-10.64	1	4	0	42	246.31	2	↓ MOL2 SDF SMILES Flexibase

49283207

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-ethyl-2-[(3S)-tetrahydrofuran-3-yl]-1,2-dihydroquinazolin-4-one (2S)-3-ethyl-2-[(3S)-tetrahydrof…

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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)	1.41	4.7	-10.51	1	4	0	42	246.31	2	↓ MOL2 SDF SMILES Flexibase

49283209

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-ethyl-2-[(3R)-tetrahydrofuran-3-yl]-1,2-dihydroquinazolin-4-one (2R)-3-ethyl-2-[(3R)-tetrahydrof…

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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)	1.41	4.59	-10.94	1	4	0	42	246.31	2	↓ MOL2 SDF SMILES Flexibase

49283211

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-ethyl-2-[(3R)-tetrahydrofuran-3-yl]-1,2-dihydroquinazolin-4-one (2S)-3-ethyl-2-[(3R)-tetrahydrof…

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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)	1.41	4.59	-11.61	1	4	0	42	246.31	2	↓ MOL2 SDF SMILES Flexibase

49283217

Analogs

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Popular Name: (2R)-6-chloro-3-methyl-2-[(3S)-tetrahydrofuran-3-yl]-1,2-dihydroquinazolin-4-one (2R)-6-chloro-3-methyl-2-[(3S)-t…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.69	4.14	-11.26	1	4	0	42	266.728	1	↓ MOL2 SDF SMILES Flexibase

49283219

Analogs

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Popular Name: (2S)-6-chloro-3-methyl-2-[(3S)-tetrahydrofuran-3-yl]-1,2-dihydroquinazolin-4-one (2S)-6-chloro-3-methyl-2-[(3S)-t…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.69	4.18	-10.65	1	4	0	42	266.728	1	↓ MOL2 SDF SMILES Flexibase

49283221

Analogs

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Popular Name: (2R)-6-chloro-3-methyl-2-[(3R)-tetrahydrofuran-3-yl]-1,2-dihydroquinazolin-4-one (2R)-6-chloro-3-methyl-2-[(3R)-t…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.69	4.19	-11.36	1	4	0	42	266.728	1	↓ MOL2 SDF SMILES Flexibase

49283223

Analogs

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Popular Name: (2S)-6-chloro-3-methyl-2-[(3R)-tetrahydrofuran-3-yl]-1,2-dihydroquinazolin-4-one (2S)-6-chloro-3-methyl-2-[(3R)-t…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.69	4.2	-12.21	1	4	0	42	266.728	1	↓ MOL2 SDF SMILES Flexibase

49283229

Analogs

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Popular Name: (2R)-7-chloro-3-methyl-2-[(3S)-tetrahydrofuran-3-yl]-1,2-dihydroquinazolin-4-one (2R)-7-chloro-3-methyl-2-[(3S)-t…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.69	4.15	-8.96	1	4	0	42	266.728	1	↓ MOL2 SDF SMILES Flexibase

49283231

Analogs

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Popular Name: (2S)-7-chloro-3-methyl-2-[(3S)-tetrahydrofuran-3-yl]-1,2-dihydroquinazolin-4-one (2S)-7-chloro-3-methyl-2-[(3S)-t…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.69	4.19	-8.63	1	4	0	42	266.728	1	↓ MOL2 SDF SMILES Flexibase

49283233

Analogs

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Popular Name: (2R)-7-chloro-3-methyl-2-[(3R)-tetrahydrofuran-3-yl]-1,2-dihydroquinazolin-4-one (2R)-7-chloro-3-methyl-2-[(3R)-t…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.69	4.2	-9.33	1	4	0	42	266.728	1	↓ MOL2 SDF SMILES Flexibase

49283235

Analogs

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Popular Name: (2S)-7-chloro-3-methyl-2-[(3R)-tetrahydrofuran-3-yl]-1,2-dihydroquinazolin-4-one (2S)-7-chloro-3-methyl-2-[(3R)-t…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.69	4.21	-9.89	1	4	0	42	266.728	1	↓ MOL2 SDF SMILES Flexibase

49283241

Analogs

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Popular Name: (2R)-7-chloro-3-propyl-2-[(3S)-tetrahydrofuran-3-yl]-1,2-dihydroquinazolin-4-one (2R)-7-chloro-3-propyl-2-[(3S)-t…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.57	5.79	-8.77	1	4	0	42	294.782	3	↓ MOL2 SDF SMILES Flexibase

49283243

Analogs

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Popular Name: (2S)-7-chloro-3-propyl-2-[(3S)-tetrahydrofuran-3-yl]-1,2-dihydroquinazolin-4-one (2S)-7-chloro-3-propyl-2-[(3S)-t…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.57	5.98	-8.73	1	4	0	42	294.782	3	↓ MOL2 SDF SMILES Flexibase

49283245

Analogs

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Popular Name: (2R)-7-chloro-3-propyl-2-[(3R)-tetrahydrofuran-3-yl]-1,2-dihydroquinazolin-4-one (2R)-7-chloro-3-propyl-2-[(3R)-t…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.57	5.87	-9.29	1	4	0	42	294.782	3	↓ MOL2 SDF SMILES Flexibase

49283247

Analogs

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Popular Name: (2S)-7-chloro-3-propyl-2-[(3R)-tetrahydrofuran-3-yl]-1,2-dihydroquinazolin-4-one (2S)-7-chloro-3-propyl-2-[(3R)-t…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.57	5.86	-9.79	1	4	0	42	294.782	3	↓ MOL2 SDF SMILES Flexibase

49283253

Analogs

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Popular Name: (2R)-7-chloro-3-ethyl-2-[(3S)-tetrahydrofuran-3-yl]-1,2-dihydroquinazolin-4-one (2R)-7-chloro-3-ethyl-2-[(3S)-te…

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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	5.02	-8.93	1	4	0	42	280.755	2	↓ MOL2 SDF SMILES Flexibase

49283255

Analogs

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Popular Name: (2S)-7-chloro-3-ethyl-2-[(3S)-tetrahydrofuran-3-yl]-1,2-dihydroquinazolin-4-one (2S)-7-chloro-3-ethyl-2-[(3S)-te…

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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	5.22	-8.82	1	4	0	42	280.755	2	↓ MOL2 SDF SMILES Flexibase

49283257

Analogs

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Popular Name: (2R)-7-chloro-3-ethyl-2-[(3R)-tetrahydrofuran-3-yl]-1,2-dihydroquinazolin-4-one (2R)-7-chloro-3-ethyl-2-[(3R)-te…

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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	5.11	-9.43	1	4	0	42	280.755	2	↓ MOL2 SDF SMILES Flexibase

49283259

Analogs

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Popular Name: (2S)-7-chloro-3-ethyl-2-[(3R)-tetrahydrofuran-3-yl]-1,2-dihydroquinazolin-4-one (2S)-7-chloro-3-ethyl-2-[(3R)-te…

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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	5.11	-9.83	1	4	0	42	280.755	2	↓ MOL2 SDF SMILES Flexibase

49283265

Analogs

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Popular Name: (2R)-6-chloro-2-[(3S)-tetrahydrofuran-3-yl]-2,3-dihydro-1H-quinazolin-4-one (2R)-6-chloro-2-[(3S)-tetrahydro…

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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	2.31	-11.14	2	4	0	50	252.701	1	↓ MOL2 SDF SMILES Flexibase

49283267

Analogs

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Popular Name: (2S)-6-chloro-2-[(3S)-tetrahydrofuran-3-yl]-2,3-dihydro-1H-quinazolin-4-one (2S)-6-chloro-2-[(3S)-tetrahydro…

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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	2.31	-10.52	2	4	0	50	252.701	1	↓ MOL2 SDF SMILES Flexibase

49283269

Analogs

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Popular Name: (2R)-6-chloro-2-[(3R)-tetrahydrofuran-3-yl]-2,3-dihydro-1H-quinazolin-4-one (2R)-6-chloro-2-[(3R)-tetrahydro…

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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	2.28	-11.23	2	4	0	50	252.701	1	↓ MOL2 SDF SMILES Flexibase

49283271

Analogs

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Popular Name: (2S)-6-chloro-2-[(3R)-tetrahydrofuran-3-yl]-2,3-dihydro-1H-quinazolin-4-one (2S)-6-chloro-2-[(3R)-tetrahydro…

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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	2.28	-12.12	2	4	0	50	252.701	1	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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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 = 525580 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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