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)	2.56	8.27	-17.56	2	5	0	67	325.393	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.29	7.98	-47.17	1	5	-1	64	324.385	3	↓ MOL2 SDF SMILES Flexibase

44992588

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)phenyl]cyclopropanecarboxamide N-[3-(4-oxo-2-thioxo-1H-quinazol…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.55	9.04	-17.84	2	5	0	67	337.404	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.28	8.75	-48.44	1	5	-1	64	336.396	3	↓ MOL2 SDF SMILES Flexibase

44993355

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-2-thioxo-1H-quinazolin-4-one 3-[[(3S)-1,1-dioxothiolan-3-yl]m…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	0.94	4.69	-17.65	1	5	0	72	310.4	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.67	4.39	-42.32	0	5	-1	69	309.392	2	↓ MOL2 SDF SMILES Flexibase

44993357

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-thioxo-1H-quinazolin-4-one 3-[[(3R)-1,1-dioxothiolan-3-yl]m…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	0.94	4.17	-17.2	1	5	0	72	310.4	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.67	3.84	-40.16	0	5	-1	69	309.392	2	↓ MOL2 SDF SMILES Flexibase

20130194

Analogs

2969907

Draw Identity 99% 90% 80% 70%

Popular Name: 2-mercapto-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazoline-7-carboxylic acid 2-mercapto-4-oxo-3-(2-phenylethy…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.73	9.59	-43.03	1	5	-1	78	325.369	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.46	9.18	-92.95	0	5	-2	75	324.361	4	↓ MOL2 SDF SMILES Flexibase

20130200

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-fluorophenyl)-2-mercapto-4-oxo-3,4-dihydroquinazoline-7-carboxylic acid 3-(4-fluorophenyl)-2-mercapto-4-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.36	9.24	-40.67	1	5	-1	78	315.305	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.09	8.95	-91.42	0	5	-2	75	314.297	2	↓ MOL2 SDF SMILES Flexibase

17971402

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(2-methoxyphenyl)ethyl]-3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)propanamide N-[(1R)-1-(2-methoxyphenyl)ethyl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.38	8.55	-17.78	2	6	0	76	383.473	6	↓ MOL2 SDF SMILES Flexibase

17971405

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)propanamide N-[(1S)-1-(2-methoxyphenyl)ethyl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.38	8.57	-17.88	2	6	0	76	383.473	6	↓ MOL2 SDF SMILES Flexibase

17972457

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)propanamide N-methyl-N-[(4-methylsulfanylphe…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.49	11.46	-18.33	1	5	0	58	399.541	6	↓ MOL2 SDF SMILES Flexibase

17972558

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[(4-methylsulfanylphenyl)methyl]-6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanamide N-methyl-N-[(4-methylsulfanylphe…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.77	13.82	-18.77	1	5	0	58	441.622	9	↓ MOL2 SDF SMILES Flexibase

17973970

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(2,6-dimethylphenyl)amino]-2-oxo-ethyl]-N-methyl-6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanami N-[2-[(2,6-dimethylphenyl)amino]…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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	13.02	-24.05	2	7	0	87	466.607	9	↓ MOL2 SDF SMILES Flexibase

12016470

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-allyl-N-[5-[(3-chlorophenyl)methyl]thiazol-2-yl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide 3-allyl-N-[5-[(3-chlorophenyl)me…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	4.46	-2.2	-18.39	2	6	0	80	468.991	6	↓ MOL2 SDF SMILES Flexibase

12017197

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-[(3-chlorophenyl)methyl]thiazol-2-yl]-3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)-propanamide N-[5-[(3-chlorophenyl)methyl]thi…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	4.02	-3.13	-20.7	2	6	0	80	456.98	6	↓ MOL2 SDF SMILES Flexibase

53565204

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanoyl]cyclopropanecarbohydrazide N'-[6-(4-oxo-2-thioxo-1H-quinazo…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	1.65	7.92	-18.67	3	7	0	96	374.466	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.38	7.61	-47.82	2	7	-1	93	373.458	8	↓ MOL2 SDF SMILES Flexibase

53565472

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanamide N-methyl-6-(4-oxo-2-thioxo-1H-qu…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	1.70	6.83	-17.63	2	5	0	67	305.403	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.42	6.53	-47.57	1	5	-1	64	304.395	6	↓ MOL2 SDF SMILES Flexibase

12038936

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-methylsulfanylphenyl)-4-oxo-3-phenyl-2-thioxo-1H-quinazoline-7-carboxamide N-(4-methylsulfanylphenyl)-4-oxo…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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	-1.79	-17.62	2	5	0	67	419.531	4	↓ MOL2 SDF SMILES Flexibase

12038940

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-allyl-N-(4-methylsulfanylphenyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide 3-allyl-N-(4-methylsulfanylpheny…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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	-1.71	-15.16	2	5	0	67	383.498	5	↓ MOL2 SDF SMILES Flexibase

12039833

Analogs

16597920

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3-methoxypropyl)-N-(4-methylsulfanylphenyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide 3-(3-methoxypropyl)-N-(4-methyls…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.59	-2.75	-16.38	2	6	0	76	415.54	7	↓ MOL2 SDF SMILES Flexibase

12039857

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-methylsulfanylphenyl)-6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)-hexanamide N-(4-methylsulfanylphenyl)-6-(4-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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	-2.25	-18.61	2	5	0	67	413.568	8	↓ MOL2 SDF SMILES Flexibase

12210689

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-fluorophenyl)-N-indan-5-yl-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide 3-(2-fluorophenyl)-N-indan-5-yl-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.93	-0.76	-18.81	2	5	0	67	431.492	3	↓ MOL2 SDF SMILES Flexibase

12211585

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-indan-5-yl-3-(3-methoxypropyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide N-indan-5-yl-3-(3-methoxypropyl)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.58	-2.53	-15.37	2	6	0	76	409.511	6	↓ MOL2 SDF SMILES Flexibase

12211595

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-indan-5-yl-6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)-hexanamide N-indan-5-yl-6-(4-oxo-2-thioxo-1…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.81	-2	-18.56	2	5	0	67	407.539	7	↓ MOL2 SDF SMILES Flexibase

36332510

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(1,1-dioxothian-4-yl)-2-sulfanyl-quinazolin-4-one 3-(1,1-dioxothian-4-yl)-2-sulfan…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	0.83	4.52	-17.52	1	5	0	72	310.4	1	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.56	4.26	-41.78	0	5	-1	69	309.392	1	↓ MOL2 SDF SMILES Flexibase

12216246

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-(9-thia-4-azabicyclo[4.3.0]nona-7,10-dien-4-ylcarbonyl)ethyl]-2-thioxo-1H-quinazolin-4-one 3-[2-(9-thia-4-azabicyclo[4.3.0]…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	1.93	-2.56	-15.54	1	5	0	58	371.487	3	↓ MOL2 SDF SMILES Flexibase

12536027

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)phenyl]methanesulfonamide N-[3-(4-oxo-2-thioxo-1H-quinazol…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	1.73	5.2	-17.87	2	6	0	84	347.421	3	↓ MOL2 SDF SMILES Flexibase

12536890

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[3-(cyclopentoxy)phenyl]-2-thioxo-1H-quinazolin-4-one 3-[3-(cyclopentoxy)phenyl]-2-thi…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.96	10.75	-15.17	1	4	0	47	338.432	3	↓ MOL2 SDF SMILES Flexibase

12536919

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)propyl]acetamide N-[3-(4-oxo-2-thioxo-1H-quinazol…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	0.46	5.29	-16.07	2	5	0	67	277.349	4	↓ MOL2 SDF SMILES Flexibase

12537366

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2-phenylthiazol-4-yl)methyl]-2-thioxo-1H-quinazolin-4-one 3-[(2-phenylthiazol-4-yl)methyl]…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.72	10.22	-13.15	1	4	0	51	351.456	3	↓ MOL2 SDF SMILES Flexibase

12537380

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[4-(cyclopentoxy)phenyl]-2-thioxo-1H-quinazolin-4-one 3-[4-(cyclopentoxy)phenyl]-2-thi…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.77	10.76	-13.06	1	4	0	47	338.432	3	↓ MOL2 SDF SMILES Flexibase

12538041

Analogs

36733342

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)propyl]methanesulfonamide N-[3-(4-oxo-2-thioxo-1H-quinazol…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	0.47	3.08	-19.72	2	6	0	84	313.404	5	↓ MOL2 SDF SMILES Flexibase

12538225

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(6-pyrazol-1-yl-3-pyridyl)methyl]-2-thioxo-1H-quinazolin-4-one 3-[(6-pyrazol-1-yl-3-pyridyl)met…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	1.89	9.51	-13.29	1	6	0	69	335.392	3	↓ MOL2 SDF SMILES Flexibase

12538934

Analogs

12538937
12538941
12538944

Draw Identity 99% 90% 80% 70%

Popular Name: 2-thioxo-3-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]-1H-quinazolin-4-one 2-thioxo-3-[(1R,3R)-3-(trifluoro…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.50	8.87	-8.53	1	3	0	38	328.359	2	↓ MOL2 SDF SMILES Flexibase

12538937

Analogs

12538941
12538944
12538934

Draw Identity 99% 90% 80% 70%

Popular Name: 2-thioxo-3-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]-1H-quinazolin-4-one 2-thioxo-3-[(1R,3S)-3-(trifluoro…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.50	9.44	-10.52	1	3	0	38	328.359	2	↓ MOL2 SDF SMILES Flexibase

12538941

Analogs

12538944
12538934
12538937

Draw Identity 99% 90% 80% 70%

Popular Name: 2-thioxo-3-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]-1H-quinazolin-4-one 2-thioxo-3-[(1S,3R)-3-(trifluoro…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.50	9.44	-10.49	1	3	0	38	328.359	2	↓ MOL2 SDF SMILES Flexibase

12538944

Analogs

12538934
12538937
12538941

Draw Identity 99% 90% 80% 70%

Popular Name: 2-thioxo-3-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]-1H-quinazolin-4-one 2-thioxo-3-[(1S,3S)-3-(trifluoro…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.50	8.87	-8.54	1	3	0	38	328.359	2	↓ MOL2 SDF SMILES Flexibase

12539273

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-thioxo-3-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-1H-quinazolin-4-one 2-thioxo-3-[[4-(1,2,4-triazol-1-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	1.75	12.1	-16.71	1	6	0	69	349.419	4	↓ MOL2 SDF SMILES Flexibase

12539276

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-4-methyl-N-[2-(4-oxo-2-thioxo-1H-quinazolin-3-yl)ethyl]benzamide 3-fluoro-4-methyl-N-[2-(4-oxo-2-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.40	8.35	-18.99	2	5	0	67	357.41	4	↓ MOL2 SDF SMILES Flexibase

12539398

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2-pyrrolidin-1-yl-4-pyridyl)methyl]-2-thioxo-1H-quinazolin-4-one 3-[(2-pyrrolidin-1-yl-4-pyridyl)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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	9.05	-30.31	2	5	1	55	339.444	3	↓ MOL2 SDF SMILES Flexibase

22702961

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholino-ethyl]-3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)propanamide N-[(2S)-2-(3,4-dimethoxyphenyl)-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	1.52	7	-21.97	2	9	0	98	498.605	9	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.25	6.58	-47.18	1	9	-1	95	497.597	9	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.52	8.93	-55.59	3	9	1	99	499.613	9	↓ MOL2 SDF SMILES Flexibase

22702963

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholino-ethyl]-3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)propanamide N-[(2R)-2-(3,4-dimethoxyphenyl)-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	1.52	7.27	-22.86	2	9	0	98	498.605	9	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.25	6.85	-48.36	1	9	-1	95	497.597	9	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.52	9.37	-57.75	3	9	1	99	499.613	9	↓ MOL2 SDF SMILES Flexibase

22703958

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-propanamide 3-(4-oxo-2-thioxo-1H-quinazolin-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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	10.39	-23.17	2	7	0	85	437.521	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.71	9.97	-48.69	1	7	-1	82	436.513	4	↓ MOL2 SDF SMILES Flexibase

22705023

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)-N-(1,3,4-thiadiazol-2-yl)hexanamide 6-(4-oxo-2-thioxo-1H-quinazolin-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.11	8.09	-29.6	2	7	0	93	375.479	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.84	7.67	-58.26	1	7	-1	90	374.471	7	↓ MOL2 SDF SMILES Flexibase

22705217

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-methoxyphenyl)-6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanamide N-(2-methoxyphenyl)-6-(4-oxo-2-t…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.40	9.98	-20.41	2	6	0	76	397.5	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.13	9.55	-49.14	1	6	-1	73	396.492	8	↓ MOL2 SDF SMILES Flexibase

22738683

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanamide N-(5-cyclopropyl-1,3,4-thiadiazo…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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	10.43	-29.53	2	7	0	93	415.544	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.92	10.01	-58.45	1	7	-1	90	414.536	8	↓ MOL2 SDF SMILES Flexibase

22741428

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)-N-(2-pyrrolidin-1-ylphenyl)hexanamide 6-(4-oxo-2-thioxo-1H-quinazolin-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.85	11.56	-19.8	2	6	0	70	436.581	8	↓ MOL2 SDF SMILES Flexibase

22742009

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-4-[3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)propanoylamino]benzamide N-methyl-4-[3-(4-oxo-2-thioxo-1H…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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	6.43	-23.89	3	7	0	96	382.445	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.03	6.01	-47.64	2	7	-1	93	381.437	5	↓ MOL2 SDF SMILES Flexibase

22742772

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanamide N-(5-butyl-1,3,4-thiadiazol-2-yl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.46	11.12	-28.96	2	7	0	93	431.587	10	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.19	10.7	-57.8	1	7	-1	90	430.579	10	↓ MOL2 SDF SMILES Flexibase

22744367

Analogs

10557292

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-tert-butylthiazol-2-yl)-6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanamide N-(4-tert-butylthiazol-2-yl)-6-(…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.39	11.5	-20.62	2	6	0	80	430.599	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.12	11.07	-48.39	1	6	-1	77	429.591	8	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 10492
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 = 10492 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=10492&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": "10492"        

    });
</script>

ZINC 12

User Information

Navigation

About

Search

Subsets

Help

Social

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations