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ZINC Item

Suppliers, Protomers, & Similar Substances

11828964

Analogs

8194974

Draw Identity 99% 90% 80% 70%

Popular Name: 3-isopentyl-2-[(2-nitrophenyl)methylsulfanyl]quinazolin-4-one 3-isopentyl-2-[(2-nitrophenyl)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)	5.13	13.1	-14.73	0	6	0	81	383.473	7	↓ MOL2 SDF SMILES Flexibase

11829780

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3-isopentyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]benzonitrile 3-[(3-isopentyl-4-oxo-quinazolin…

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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)	4.95	2.62	-12.6	0	4	0	59	363.486	6	↓ MOL2 SDF SMILES Flexibase

13010535

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-bromo-2-[[2-(difluoromethoxy)phenyl]methylsulfanyl]-3-(2-methoxyethyl)quinazolin-4-one 6-bromo-2-[[2-(difluoromethoxy)p…

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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)	4.90	10.29	-12.61	0	5	0	53	471.323	8	↓ MOL2 SDF SMILES Flexibase

53922290

Analogs

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Popular Name: 6-[2-(o-tolylmethylsulfanyl)-4-oxo-quinazolin-3-yl]hexanamide 6-[2-(o-tolylmethylsulfanyl)-4-o…

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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	10.16	-16.43	2	5	0	78	395.528	9	↓ MOL2 SDF SMILES Flexibase

13256294

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-allyl-2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-4-oxo-quinazoline-7-carboxylic 3-allyl-2-[(2-chloro-6-fluoro-ph…

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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	11.18	-51.65	0	5	-1	75	403.842	6	↓ MOL2 SDF SMILES Flexibase

13266342

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-allyl-2-[(2-methoxyphenyl)methylsulfanyl]-4-oxo-quinazoline-7-carboxylic 3-allyl-2-[(2-methoxyphenyl)meth…

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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)	4.11	10.08	-51.49	0	6	-1	84	381.433	7	↓ MOL2 SDF SMILES Flexibase

13266589

Analogs

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Popular Name: 4-[(3-isopropyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]benzoic 4-[(3-isopropyl-4-oxo-quinazolin…

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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)	4.22	10.67	-53.7	0	5	-1	75	353.423	5	↓ MOL2 SDF SMILES Flexibase

13266592

Analogs

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Popular Name: 4-[(7-chloro-3-isopropyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]benzoic 4-[(7-chloro-3-isopropyl-4-oxo-q…

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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	11.18	-51.63	0	5	-1	75	387.868	5	↓ MOL2 SDF SMILES Flexibase

13266922

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-allyl-2-[(3-cyanophenyl)methylsulfanyl]-4-oxo-quinazoline-7-carboxylic 3-allyl-2-[(3-cyanophenyl)methyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.83	11.09	-52.52	0	6	-1	99	376.417	6	↓ MOL2 SDF SMILES Flexibase

13270372

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-allyl-2-[[4-(difluoromethoxy)-5-methoxy-2-nitro-phenyl]methylsulfanyl]-4-oxo-quinazoline-7-carboxy 3-allyl-2-[[4-(difluoromethoxy)-…

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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	10.76	-57.82	0	10	-1	139	492.436	10	↓ MOL2 SDF SMILES Flexibase

13270707

Analogs

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Popular Name: 2-[(3-cyanophenyl)methylsulfanyl]-3-methyl-4-oxo-quinazoline-7-carboxylic 2-[(3-cyanophenyl)methylsulfanyl…

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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)	3.18	9.63	-53.04	0	6	-1	99	350.379	4	↓ MOL2 SDF SMILES Flexibase

13270727

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-(difluoromethoxy)-5-methoxy-2-nitro-phenyl]methylsulfanyl]-3-methyl-4-oxo-quinazoline-7-carbox 2-[[4-(difluoromethoxy)-5-methox…

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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)	3.54	9.28	-58.25	0	10	-1	139	466.398	8	↓ MOL2 SDF SMILES Flexibase

13270751

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-(difluoromethoxy)-5-methoxy-2-nitro-phenyl]methylsulfanyl]-3-ethyl-4-oxo-quinazoline-7-carboxy 2-[[4-(difluoromethoxy)-5-methox…

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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)	3.92	10.18	-58.38	0	10	-1	139	480.425	9	↓ MOL2 SDF SMILES Flexibase

13270887

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[(3-bromo-4-methoxy-phenyl)methylsulfanyl]-4-oxo-quinazolin-3-yl]acetic 2-[2-[(3-bromo-4-methoxy-phenyl)…

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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)	3.61	9.83	-56.28	0	6	-1	84	434.291	6	↓ MOL2 SDF SMILES Flexibase

13270888

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[(5-chloro-2-methoxy-phenyl)methylsulfanyl]-4-oxo-quinazolin-3-yl]acetic 2-[2-[(5-chloro-2-methoxy-phenyl…

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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)	3.47	9.74	-57.82	0	6	-1	84	389.84	6	↓ MOL2 SDF SMILES Flexibase

13270896

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[[4-(difluoromethoxy)-5-methoxy-2-nitro-phenyl]methylsulfanyl]-4-oxo-quinazolin-3-yl]acetic 2-[2-[[4-(difluoromethoxy)-5-met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.90	9.9	-59.95	0	10	-1	139	466.398	9	↓ MOL2 SDF SMILES Flexibase

13270904

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[[4-(difluoromethoxy)-5-methoxy-2-nitro-phenyl]methylsulfanyl]-4-oxo-quinazolin-3-yl]propanoic 3-[2-[[4-(difluoromethoxy)-5-met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.17	10.33	-58.85	0	10	-1	139	480.425	10	↓ MOL2 SDF SMILES Flexibase

13271040

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[2-[[4-(difluoromethoxy)-5-methoxy-2-nitro-phenyl]methylsulfanyl]-4-oxo-quinazolin-3-yl]propa (2S)-2-[2-[[4-(difluoromethoxy)-…

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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)	3.27	10.9	-68.82	0	10	-1	139	480.425	9	↓ MOL2 SDF SMILES Flexibase

13271041

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[2-[[4-(difluoromethoxy)-5-methoxy-2-nitro-phenyl]methylsulfanyl]-4-oxo-quinazolin-3-yl]propa (2R)-2-[2-[[4-(difluoromethoxy)-…

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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)	3.27	10.9	-63.15	0	10	-1	139	480.425	9	↓ MOL2 SDF SMILES Flexibase

13271047

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[2-[(3-bromo-4-methoxy-phenyl)methylsulfanyl]-4-oxo-quinazolin-3-yl]hexanoic 6-[2-[(3-bromo-4-methoxy-phenyl)…

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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)	5.16	12.62	-55.77	0	6	-1	84	490.399	10	↓ MOL2 SDF SMILES Flexibase

23011889

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-allyl-7-chloro-2-[[4-(difluoromethoxy)-3-methoxy-phenyl]methylsulfanyl]quinazolin-4-one 3-allyl-7-chloro-2-[[4-(difluoro…

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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	11.13	-11.07	0	5	0	53	438.883	8	↓ MOL2 SDF SMILES Flexibase

23011937

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-chloro-2-[[4-(difluoromethoxy)-3-methoxy-phenyl]methylsulfanyl]-3-(2-methoxyethyl)quinazolin-4-one 7-chloro-2-[[4-(difluoromethoxy)…

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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)	4.41	10.02	-13.61	0	6	0	63	456.898	9	↓ MOL2 SDF SMILES Flexibase

13280029

Analogs

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Popular Name: 3-allyl-2-(o-tolylmethylsulfanyl)-4-oxo-quinazoline-7-carboxylic 3-allyl-2-(o-tolylmethylsulfanyl…

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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)	4.50	11.26	-49.27	0	5	-1	75	365.434	6	↓ MOL2 SDF SMILES Flexibase

13281123

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[7-chloro-2-(o-tolylmethylsulfanyl)-4-oxo-quinazolin-3-yl]propanoic 3-[7-chloro-2-(o-tolylmethylsulf…

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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)	4.14	11.34	-48.25	0	5	-1	75	387.868	6	↓ MOL2 SDF SMILES Flexibase

13404416

Analogs

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Popular Name: 2-[(1R)-2-amino-1-(4-fluorophenyl)-2-oxo-ethyl]sulfanyl-3-methyl-4-oxo-quinazoline-7-carboxylic 2-[(1R)-2-amino-1-(4-fluoropheny…

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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)	2.33	6.14	-59.72	2	7	-1	118	386.384	5	↓ MOL2 SDF SMILES Flexibase

13404420

Analogs

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Popular Name: 2-[(1S)-2-amino-1-(4-fluorophenyl)-2-oxo-ethyl]sulfanyl-3-methyl-4-oxo-quinazoline-7-carboxylic 2-[(1S)-2-amino-1-(4-fluoropheny…

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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)	2.33	6.15	-59.99	2	7	-1	118	386.384	5	↓ MOL2 SDF SMILES Flexibase

13404458

Analogs

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Popular Name: 2-[(2-bromo-4-fluoro-phenyl)methylsulfanyl]-3-methyl-4-oxo-quinazoline-7-carboxylic 2-[(2-bromo-4-fluoro-phenyl)meth…

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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)	4.35	9.83	-50.01	0	5	-1	75	422.255	4	↓ MOL2 SDF SMILES Flexibase

13404515

Analogs

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Popular Name: 2-[(1R)-2-amino-1-(4-fluorophenyl)-2-oxo-ethyl]sulfanyl-3-ethyl-4-oxo-quinazoline-7-carboxylic 2-[(1R)-2-amino-1-(4-fluoropheny…

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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)	2.71	7.19	-60.88	2	7	-1	118	400.411	6	↓ MOL2 SDF SMILES Flexibase

13404519

Analogs

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Popular Name: 2-[(1S)-2-amino-1-(4-fluorophenyl)-2-oxo-ethyl]sulfanyl-3-ethyl-4-oxo-quinazoline-7-carboxylic 2-[(1S)-2-amino-1-(4-fluoropheny…

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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)	2.71	7.03	-59.87	2	7	-1	118	400.411	6	↓ MOL2 SDF SMILES Flexibase

13404560

Analogs

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Popular Name: 2-[(2-bromo-4-fluoro-phenyl)methylsulfanyl]-3-ethyl-4-oxo-quinazoline-7-carboxylic 2-[(2-bromo-4-fluoro-phenyl)meth…

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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)	4.73	10.73	-50.02	0	5	-1	75	436.282	5	↓ MOL2 SDF SMILES Flexibase

13404832

Analogs

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Popular Name: 2-[2-[(2-bromo-4-fluoro-phenyl)methylsulfanyl]-4-oxo-quinazolin-3-yl]acetic 2-[2-[(2-bromo-4-fluoro-phenyl)m…

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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)	3.71	10.45	-56.54	0	5	-1	75	422.255	5	↓ MOL2 SDF SMILES Flexibase

13404894

Analogs

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Popular Name: 3-[2-[(2-bromo-4-fluoro-phenyl)methylsulfanyl]-4-oxo-quinazolin-3-yl]propanoic 3-[2-[(2-bromo-4-fluoro-phenyl)m…

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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	10.88	-52.94	0	5	-1	75	436.282	6	↓ MOL2 SDF SMILES Flexibase

13405261

Analogs

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Popular Name: (2S)-2-[2-[(2-bromo-4-fluoro-phenyl)methylsulfanyl]-4-oxo-quinazolin-3-yl]propanoic (2S)-2-[2-[(2-bromo-4-fluoro-phe…

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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)	4.08	11.45	-57.08	0	5	-1	75	436.282	5	↓ MOL2 SDF SMILES Flexibase

13405265

Analogs

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Popular Name: (2R)-2-[2-[(2-bromo-4-fluoro-phenyl)methylsulfanyl]-4-oxo-quinazolin-3-yl]propanoic (2R)-2-[2-[(2-bromo-4-fluoro-phe…

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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)	4.08	11.45	-59.08	0	5	-1	75	436.282	5	↓ MOL2 SDF SMILES Flexibase

13405275

Analogs

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Popular Name: 6-[2-[(1S)-2-amino-1-(4-fluorophenyl)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]hexanoic 6-[2-[(1S)-2-amino-1-(4-fluoroph…

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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)	3.25	9.55	-58.17	2	7	-1	118	442.492	10	↓ MOL2 SDF SMILES Flexibase

13405279

Analogs

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Popular Name: 6-[2-[(1R)-2-amino-1-(4-fluorophenyl)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]hexanoic 6-[2-[(1R)-2-amino-1-(4-fluoroph…

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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)	3.25	9.57	-56.76	2	7	-1	118	442.492	10	↓ MOL2 SDF SMILES Flexibase

13405282

Analogs

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Popular Name: 6-[2-[(1S)-2-amino-2-oxo-1-phenyl-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]hexanoic 6-[2-[(1S)-2-amino-2-oxo-1-pheny…

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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)	3.08	9.44	-58.24	2	7	-1	118	424.502	10	↓ MOL2 SDF SMILES Flexibase

13405286

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[2-[(1R)-2-amino-2-oxo-1-phenyl-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]hexanoic 6-[2-[(1R)-2-amino-2-oxo-1-pheny…

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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)	3.08	9.62	-58.5	2	7	-1	118	424.502	10	↓ MOL2 SDF SMILES Flexibase

13405301

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[2-[(2-bromo-4-fluoro-phenyl)methylsulfanyl]-4-oxo-quinazolin-3-yl]hexanoic 6-[2-[(2-bromo-4-fluoro-phenyl)m…

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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)	5.26	13.24	-55.79	0	5	-1	75	478.363	9	↓ MOL2 SDF SMILES Flexibase

13405656

Analogs

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Popular Name: (2S)-2-[2-[(2-bromo-4-fluoro-phenyl)methylsulfanyl]-4-oxo-quinazolin-3-yl]-3-methyl-butanoic (2S)-2-[2-[(2-bromo-4-fluoro-phe…

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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)	4.82	13.16	-58.14	0	5	-1	75	464.336	6	↓ MOL2 SDF SMILES Flexibase

13405660

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[2-[(2-bromo-4-fluoro-phenyl)methylsulfanyl]-4-oxo-quinazolin-3-yl]-3-methyl-butanoic (2R)-2-[2-[(2-bromo-4-fluoro-phe…

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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)	4.82	13.14	-59.82	0	5	-1	75	464.336	6	↓ MOL2 SDF SMILES Flexibase

13409682

Analogs

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Popular Name: 3-allyl-2-[(1S)-2-amino-1-(4-fluorophenyl)-2-oxo-ethyl]sulfanyl-4-oxo-quinazoline-7-carboxylic 3-allyl-2-[(1S)-2-amino-1-(4-flu…

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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)	2.98	7.77	-60.04	2	7	-1	118	412.422	7	↓ MOL2 SDF SMILES Flexibase

13409683

Analogs

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Popular Name: 3-allyl-2-[(1R)-2-amino-1-(4-fluorophenyl)-2-oxo-ethyl]sulfanyl-4-oxo-quinazoline-7-carboxylic 3-allyl-2-[(1R)-2-amino-1-(4-flu…

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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)	2.98	7.57	-58.76	2	7	-1	118	412.422	7	↓ MOL2 SDF SMILES Flexibase

13409710

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-allyl-2-[(2-bromo-4-fluoro-phenyl)methylsulfanyl]-4-oxo-quinazoline-7-carboxylic 3-allyl-2-[(2-bromo-4-fluoro-phe…

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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)	5.00	11.3	-49.43	0	5	-1	75	448.293	6	↓ MOL2 SDF SMILES Flexibase

23931975

Analogs

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Popular Name: 7-chloro-2-[(1S)-1-(4-fluorophenyl)ethyl]sulfanyl-3-(3-methoxypropyl)quinazolin-4-one 7-chloro-2-[(1S)-1-(4-fluorophen…

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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)	5.00	11.81	-8.5	0	4	0	44	406.91	7	↓ MOL2 SDF SMILES Flexibase

23931978

Analogs

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Popular Name: 7-chloro-2-[(1R)-1-(4-fluorophenyl)ethyl]sulfanyl-3-(3-methoxypropyl)quinazolin-4-one 7-chloro-2-[(1R)-1-(4-fluorophen…

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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)	5.00	11.81	-8.51	0	4	0	44	406.91	7	↓ MOL2 SDF SMILES Flexibase

23933222

Analogs

5349638
5349641

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S)-1-(4-fluorophenyl)ethyl]sulfanyl-3-(3-methoxypropyl)quinazolin-4-one 2-[(1S)-1-(4-fluorophenyl)ethyl]…

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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)	4.35	11.31	-10.51	0	4	0	44	372.465	7	↓ MOL2 SDF SMILES Flexibase

23933225

Analogs

5349638
5349641

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R)-1-(4-fluorophenyl)ethyl]sulfanyl-3-(3-methoxypropyl)quinazolin-4-one 2-[(1R)-1-(4-fluorophenyl)ethyl]…

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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)	4.35	11.3	-10.59	0	4	0	44	372.465	7	↓ MOL2 SDF SMILES Flexibase

68861099

Analogs

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Popular Name: 3-[2-(diisopropylamino)ethyl]-2-[(2-nitrophenyl)methylsulfanyl]quinazolin-4-one 3-[2-(diisopropylamino)ethyl]-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)	4.85	14.31	-41.29	1	7	1	85	441.577	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.85	12.25	-13.94	0	7	0	84	440.569	9	↓ MOL2 SDF SMILES Flexibase

58333190

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S)-1-(2,5-difluorophenyl)ethyl]sulfanyl-3-ethyl-quinazolin-4-one 2-[(1S)-1-(2,5-difluorophenyl)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)	4.56	11.38	-9.08	0	3	0	35	346.402	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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