ZINC 12

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	7.36	-10.73	1	4	0	49	265.316	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.15	8.42	-43.68	2	4	1	50	266.324	1	↓ MOL2 SDF SMILES Flexibase

751752

Analogs

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Popular Name: 6-methoxy-2-phenyl-N-(2-pyrrolidin-1-ylethyl)quinazolin-4-amine 6-methoxy-2-phenyl-N-(2-pyrrolid…

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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)	4.10	-1.2	-44.51	2	5	1	51	349.458	6	↓ MOL2 SDF SMILES Flexibase

751760

Analogs

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Popular Name: 7-chloro-N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-methyl-quinazolin-4-amine 7-chloro-N-[4-(4-ethylpiperazin-…

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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)	4.76	-2.05	-42.28	2	5	1	45	382.919	4	↓ MOL2 SDF SMILES Flexibase

5561618

Analogs

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Popular Name: 2-(4-ethoxyquinazolin-2-yl)-6-methoxy-phenol 2-(4-ethoxyquinazolin-2-yl)-6-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)	3.75	5.28	-10.82	1	5	0	64	296.326	4	↓ MOL2 SDF SMILES Flexibase

5561680

Analogs

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Popular Name: 2-[4-(2-chloro-4-methyl-phenoxy)quinazolin-2-yl]-6-methoxy-phenol 2-[4-(2-chloro-4-methyl-phenoxy)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.13	8.61	-13.37	1	5	0	64	392.842	4	↓ MOL2 SDF SMILES Flexibase

5561834

Analogs

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Popular Name: N-[4-[2-(2-hydroxy-3-methoxy-phenyl)quinazolin-4-yl]oxyphenyl]acetamide N-[4-[2-(2-hydroxy-3-methoxy-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)	4.29	7.43	-15.63	2	7	0	94	401.422	5	↓ MOL2 SDF SMILES Flexibase

5561963

Analogs

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Popular Name: 2-[4-(4-chloro-2,3-dimethyl-phenoxy)quinazolin-2-yl]-6-methoxy-phenol 2-[4-(4-chloro-2,3-dimethyl-phen…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.51	9.14	-12.93	1	5	0	64	406.869	4	↓ MOL2 SDF SMILES Flexibase

5562110

Analogs

5066031

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Popular Name: 2-[4-(2-ethyl-1-piperidyl)quinazolin-2-yl]phenol 2-[4-(2-ethyl-1-piperidyl)quinaz…

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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)	5.38	10	-10.01	1	4	0	49	333.435	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.39	11.07	-35.12	1	4	0	53	333.435	3	↓ MOL2 SDF SMILES Flexibase

5562113

Analogs

5066031

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Popular Name: 2-[4-(2-ethyl-1-piperidyl)quinazolin-2-yl]phenol 2-[4-(2-ethyl-1-piperidyl)quinaz…

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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)	5.38	10.01	-10.16	1	4	0	49	333.435	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.39	11.15	-35.32	1	4	0	53	333.435	3	↓ MOL2 SDF SMILES Flexibase

5562313

Analogs

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Popular Name: N-[4-[2-(4-isopropoxyphenyl)quinazolin-4-yl]oxyphenyl]acetamide N-[4-[2-(4-isopropoxyphenyl)quin…

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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)	5.54	-0.69	-15.62	1	6	0	73	413.477	6	↓ MOL2 SDF SMILES Flexibase

5562407

Analogs

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Popular Name: 2-[4-(4-allyl-2-methoxy-phenoxy)quinazolin-2-yl]-6-methoxy-phenol 2-[4-(4-allyl-2-methoxy-phenoxy)…

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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)	5.69	10.38	-12.39	1	6	0	74	414.461	7	↓ MOL2 SDF SMILES Flexibase

5562473

Analogs

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Popular Name: 2-(4-isopropoxyphenyl)-4-(2-methylphenoxy)-quinazoline 2-(4-isopropoxyphenyl)-4-(2-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)	6.73	0.65	-9.67	0	4	0	44	370.452	5	↓ MOL2 SDF SMILES Flexibase

5562535

Analogs

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Popular Name: 2-[4-(4-chloro-2-methyl-phenoxy)quinazolin-2-yl]-6-methoxy-phenol 2-[4-(4-chloro-2-methyl-phenoxy)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.13	8.68	-12.39	1	5	0	64	392.842	4	↓ MOL2 SDF SMILES Flexibase

5562538

Analogs

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Popular Name: 2-[4-(2-isopropoxyphenoxy)quinazolin-2-yl]-6-methoxy-phenol 2-[4-(2-isopropoxyphenoxy)quinaz…

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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)	5.62	10.02	-12.6	1	6	0	74	402.45	6	↓ MOL2 SDF SMILES Flexibase

5562581

Analogs

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Popular Name: 2-[4-(2-allylphenoxy)quinazolin-2-yl]-6-methoxy-phenol 2-[4-(2-allylphenoxy)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)	5.85	10.55	-10.59	1	5	0	64	384.435	6	↓ MOL2 SDF SMILES Flexibase

5563009

Analogs

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Popular Name: 2-[4-(2-ethylphenoxy)quinazolin-2-yl]-6-methoxy-phenol 2-[4-(2-ethylphenoxy)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)	5.94	8.79	-14.41	1	5	0	64	372.424	5	↓ MOL2 SDF SMILES Flexibase

5563245

Analogs

5744984

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Popular Name: N-(5-chloro-2-methoxy-phenyl)-2-(4-isopropoxyphenyl)-quinazolin-4-amine N-(5-chloro-2-methoxy-phenyl)-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)	7.23	0.91	-10.75	1	5	0	56	419.912	6	↓ MOL2 SDF SMILES Flexibase

6729406

Analogs

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Popular Name: 2-[(6-bromo-4-phenyl-quinazolin-2-yl)-methyl-amino]ethanol 2-[(6-bromo-4-phenyl-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)	4.32	-2.46	-7.75	1	4	0	49	358.239	4	↓ MOL2 SDF SMILES Flexibase

61700277

Analogs

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Popular Name: (1S)-1-(3-chloro-4-quinazolin-4-ylsulfanyl-phenyl)ethanamine (1S)-1-(3-chloro-4-quinazolin-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)	2.26	8.07	-54.27	3	3	1	53	316.837	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.26	7.74	-8.76	2	3	0	52	315.829	3	↓ MOL2 SDF SMILES Flexibase

61700278

Analogs

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Popular Name: (1R)-1-(3-chloro-4-quinazolin-4-ylsulfanyl-phenyl)ethanamine (1R)-1-(3-chloro-4-quinazolin-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)	2.26	8.07	-55.03	3	3	1	53	316.837	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.26	7.75	-8.26	2	3	0	52	315.829	3	↓ MOL2 SDF SMILES Flexibase

61700279

Analogs

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Popular Name: (1S)-1-(3-bromo-4-quinazolin-4-ylsulfanyl-phenyl)ethanamine (1S)-1-(3-bromo-4-quinazolin-4-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)	2.39	8.18	-54.19	3	3	1	53	361.288	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.39	7.84	-8.6	2	3	0	52	360.28	3	↓ MOL2 SDF SMILES Flexibase

61700280

Analogs

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Popular Name: (1R)-1-(3-bromo-4-quinazolin-4-ylsulfanyl-phenyl)ethanamine (1R)-1-(3-bromo-4-quinazolin-4-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)	2.39	8.17	-54.98	3	3	1	53	361.288	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.39	7.84	-8.09	2	3	0	52	360.28	3	↓ MOL2 SDF SMILES Flexibase

7151771

Analogs

8190260

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Popular Name: N-ethyl-N-[(3-fluorophenyl)methyl]-2-quinazolin-4-ylsulfanyl-acetamide N-ethyl-N-[(3-fluorophenyl)methy…

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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)	3.52	0.81	-10.46	0	4	0	46	355.438	6	↓ MOL2 SDF SMILES Flexibase

7151772

Analogs

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Popular Name: 4-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]quinazoline 4-[(5-bromo-2-methoxy-phenyl)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)	4.65	-0.75	-8.27	0	3	0	35	361.264	4	↓ MOL2 SDF SMILES Flexibase

7151774

Analogs

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Popular Name: 2-[ethyl-(2-quinazolin-4-ylsulfanylacetyl)-amino]-N-(2-thienylmethyl)acetamide 2-[ethyl-(2-quinazolin-4-ylsulfa…

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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)	2.89	-2.66	-15.86	1	6	0	75	400.529	8	↓ MOL2 SDF SMILES Flexibase

7151775

Analogs

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Popular Name: N-(2,6-dimethylphenyl)-2-[methyl-(2-quinazolin-4-ylsulfanylacetyl)-amino]-acetamide N-(2,6-dimethylphenyl)-2-[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)	2.65	-0.33	-17.61	1	6	0	75	394.5	6	↓ MOL2 SDF SMILES Flexibase

7151778

Analogs

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Popular Name: N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-quinazolin-4-ylsulfanyl-acetamide N-cyclopropyl-N-[(2-fluorophenyl…

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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)	3.49	0.06	-9.58	0	4	0	46	367.449	6	↓ MOL2 SDF SMILES Flexibase

7151785

Analogs

7151786

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Popular Name: N-(7,10-dioxabicyclo[4.4.0]deca-2,4,11-trien-8-ylmethyl)-N-methyl-2-quinazolin-4-ylsulfanyl-acetamid N-(7,10-dioxabicyclo[4.4.0]deca-…

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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	-1.21	-13.6	0	6	0	64	381.457	5	↓ MOL2 SDF SMILES Flexibase

7151786

Analogs

4240240
7151785

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Popular Name: N-(7,10-dioxabicyclo[4.4.0]deca-2,4,11-trien-8-ylmethyl)-N-methyl-2-quinazolin-4-ylsulfanyl-acetamid N-(7,10-dioxabicyclo[4.4.0]deca-…

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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	-0.92	-16.37	0	6	0	64	381.457	5	↓ MOL2 SDF SMILES Flexibase

7151789

Analogs

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Popular Name: N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-quinazolin-4-ylsulfanyl-acetamide N-[2-(4-chlorophenoxy)ethyl]-N-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)	3.97	-0.68	-11.19	0	5	0	55	387.892	7	↓ MOL2 SDF SMILES Flexibase

7151792

Analogs

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Popular Name: 4-[(5-phenylisoxazol-3-yl)methylsulfanyl]quinazoline 4-[(5-phenylisoxazol-3-yl)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)	4.50	0.76	-9.83	0	4	0	51	319.389	4	↓ MOL2 SDF SMILES Flexibase

7151797

Analogs

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Popular Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-quinazolin-4-ylsulfanyl-ethanone 1-(6,7-dimethoxy-3,4-dihydro-1H-…

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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)	2.62	-0.77	-14.77	0	6	0	64	395.484	5	↓ MOL2 SDF SMILES Flexibase

7151804

Analogs

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Popular Name: 1-(2,6-dioxabicyclo[5.4.0]undeca-8,10,12-trien-9-yl)-2-quinazolin-4-ylsulfanyl-ethanone 1-(2,6-dioxabicyclo[5.4.0]undeca…

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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)	3.19	-0.85	-12.8	0	5	0	61	352.415	4	↓ MOL2 SDF SMILES Flexibase

7151808

Analogs

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Popular Name: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-quinazolin-4-ylsulfanyl-ethanone 1-[4-(2-methoxyphenyl)piperazin-…

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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)	3.21	-2.78	-11.93	0	6	0	58	394.5	5	↓ MOL2 SDF SMILES Flexibase

7151810

Analogs

7199964
39553285

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Popular Name: 3-butyl-7-ethyl-8-(quinazolin-4-ylsulfanylmethyl)purine-2,6-dione 3-butyl-7-ethyl-8-(quinazolin-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)	2.88	-2.52	-11.71	1	8	0	98	410.503	7	↓ MOL2 SDF SMILES Flexibase

7151811

Analogs

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Popular Name: N-benzyl-N-(2-furylmethyl)-2-quinazolin-4-ylsulfanyl-acetamide N-benzyl-N-(2-furylmethyl)-2-qui…

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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)	3.66	0.74	-12.9	0	5	0	59	389.48	7	↓ MOL2 SDF SMILES Flexibase

7151830

Analogs

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Popular Name: N-(1-cyano-1-methyl-ethyl)-N-methyl-2-quinazolin-4-ylsulfanyl-acetamide N-(1-cyano-1-methyl-ethyl)-N-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)	2.20	0.98	-9.66	0	5	0	69	300.387	4	↓ MOL2 SDF SMILES Flexibase

7151840

Analogs

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Popular Name: N-[(3,4-difluorophenyl)carbamoylmethyl]-2-quinazolin-4-ylsulfanyl-acetamide N-[(3,4-difluorophenyl)carbamoyl…

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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)	2.79	-2.15	-17.27	2	6	0	83	388.399	6	↓ MOL2 SDF SMILES Flexibase

7151853

Analogs

3490779

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Popular Name: N-methyl-4-(2-quinazolin-4-ylsulfanylacetyl)amino-benzamide N-methyl-4-(2-quinazolin-4-ylsul…

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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)	2.25	-3.3	-16.25	2	6	0	83	352.419	5	↓ MOL2 SDF SMILES Flexibase

7151865

Analogs

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Popular Name: N-[3-(methyl-phenyl-amino)propyl]-2-quinazolin-4-ylsulfanyl-acetamide N-[3-(methyl-phenyl-amino)propyl…

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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)	3.36	-2.31	-11.96	1	5	0	58	366.49	8	↓ MOL2 SDF SMILES Flexibase

7151866

Analogs

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Popular Name: 4-[[5-(2-furyl)isoxazol-3-yl]methylsulfanyl]quinazoline 4-[[5-(2-furyl)isoxazol-3-yl]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)	3.64	1.23	-10	0	5	0	64	309.35	4	↓ MOL2 SDF SMILES Flexibase

7151874

Analogs

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Popular Name: N-[[4-(difluoromethoxy)-3-methoxy-phenyl]methyl]-2-quinazolin-4-ylsulfanyl-acetamide N-[[4-(difluoromethoxy)-3-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)	2.97	-0.96	-14.67	1	6	0	73	405.426	8	↓ MOL2 SDF SMILES Flexibase

7151881

Analogs

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Popular Name: 4-(2-quinazolin-4-ylsulfanylethoxy)benzenesulfonamide 4-(2-quinazolin-4-ylsulfanyletho…

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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)	2.63	-6.7	-15.7	2	6	0	95	361.448	6	↓ MOL2 SDF SMILES Flexibase

7151884

Analogs

7151885

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Popular Name: N-[(4-fluorophenyl)-(2-thienyl)methyl]-2-quinazolin-4-ylsulfanyl-acetamide N-[(4-fluorophenyl)-(2-thienyl)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)	4.60	-1.41	-11.98	1	4	0	54	409.511	6	↓ MOL2 SDF SMILES Flexibase

7151885

Analogs

7151884

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Popular Name: N-[(4-fluorophenyl)-(2-thienyl)methyl]-2-quinazolin-4-ylsulfanyl-acetamide N-[(4-fluorophenyl)-(2-thienyl)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)	4.60	-1.41	-11.98	1	4	0	54	409.511	6	↓ MOL2 SDF SMILES Flexibase

7151895

Analogs

7151896

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Popular Name: N-[phenyl-(2-thienyl)methyl]-2-quinazolin-4-ylsulfanyl-acetamide N-[phenyl-(2-thienyl)methyl]-2-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)	4.44	-2.15	-11.46	1	4	0	54	391.521	6	↓ MOL2 SDF SMILES Flexibase

7151896

Analogs

7151895

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Popular Name: N-[phenyl-(2-thienyl)methyl]-2-quinazolin-4-ylsulfanyl-acetamide N-[phenyl-(2-thienyl)methyl]-2-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)	4.44	-2.15	-11.5	1	4	0	54	391.521	6	↓ MOL2 SDF SMILES Flexibase

7151900

Analogs

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Popular Name: N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-quinazolin-4-ylsulfanyl-acetamide N-[4-methyl-3-(methylsulfamoyl)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)	2.51	-6.38	-16.23	2	7	0	101	402.501	6	↓ MOL2 SDF SMILES Flexibase

7151906

Analogs

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Popular Name: N-[2-(4-ethoxyphenoxy)ethyl]-2-quinazolin-4-ylsulfanyl-acetamide N-[2-(4-ethoxyphenoxy)ethyl]-2-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)	3.48	-2.58	-13.15	1	6	0	73	383.473	9	↓ MOL2 SDF SMILES Flexibase

7151912

Analogs

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Popular Name: 4-[(2,5-dimethoxyphenyl)methylsulfanyl]quinazoline 4-[(2,5-dimethoxyphenyl)methylsu…

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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)	3.90	0.01	-9.84	0	4	0	44	312.394	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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