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ZINC Item

Suppliers, Protomers, & Similar Substances

5561364

Analogs

2410271
2410272

Draw Identity 99% 90% 80% 70%

Popular Name: N-[7-(4-fluorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-2-methyl-butanamide N-[7-(4-fluorophenyl)-5-oxo-7,8-…

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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)	3.84	1.16	-14.41	1	5	0	71	341.386	4	↓ MOL2 SDF SMILES Flexibase

5561368

Analogs

2410271
2410272

Draw Identity 99% 90% 80% 70%

Popular Name: N-[7-(4-fluorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-2-methyl-butanamide N-[7-(4-fluorophenyl)-5-oxo-7,8-…

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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)	3.84	1.16	-14.43	1	5	0	71	341.386	4	↓ MOL2 SDF SMILES Flexibase

5561371

Analogs

2410271
2410272

Draw Identity 99% 90% 80% 70%

Popular Name: N-[7-(4-fluorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-2-methyl-butanamide N-[7-(4-fluorophenyl)-5-oxo-7,8-…

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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)	3.84	1.16	-14.43	1	5	0	71	341.386	4	↓ MOL2 SDF SMILES Flexibase

52901038

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-thienylmethyl)-7,8-dihydro-6H-quinazolin-5-one 2-(2-thienylmethyl)-7,8-dihydro-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.30	6.77	-8.08	0	3	0	43	244.319	2	↓ MOL2 SDF SMILES Flexibase

52901040

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7,7-dimethyl-2-(2-thienylmethyl)-6,8-dihydroquinazolin-5-one 7,7-dimethyl-2-(2-thienylmethyl)…

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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	7.68	-7.95	0	3	0	43	272.373	2	↓ MOL2 SDF SMILES Flexibase

52919678

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-propoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one 2-(4-propoxyphenyl)-7,8-dihydro-…

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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)	3.39	8.37	-8.59	0	4	0	52	282.343	4	↓ MOL2 SDF SMILES Flexibase

52921302

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-propoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one 2-(3-propoxyphenyl)-7,8-dihydro-…

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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	8.38	-10.39	0	4	0	52	282.343	4	↓ MOL2 SDF SMILES Flexibase

36120783

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-4-anilino-7-methyl-2-[(2R)-2-methyl-1-piperidyl]-7,8-dihydro-6H-quinazolin-5-one (7R)-4-anilino-7-methyl-2-[(2R)-…

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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)	5.29	14.86	-8.03	1	5	0	58	350.466	3	↓ MOL2 SDF SMILES Flexibase

36120785

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-4-anilino-2-[(2R,6R)-2,6-dimethyl-1-piperidyl]-7-methyl-7,8-dihydro-6H-quinazolin-5-one (7R)-4-anilino-2-[(2R,6R)-2,6-di…

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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	15.38	-8.11	1	5	0	58	364.493	3	↓ MOL2 SDF SMILES Flexibase

36120787

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-4-anilino-2-[(3S,5R)-3,5-dimethyl-1-piperidyl]-7-methyl-7,8-dihydro-6H-quinazolin-5-one (7S)-4-anilino-2-[(3S,5R)-3,5-di…

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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)	5.68	14.75	-7.93	1	5	0	58	364.493	3	↓ MOL2 SDF SMILES Flexibase

36120789

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-4-anilino-2-[(3S,5S)-3,5-dimethyl-1-piperidyl]-7-methyl-7,8-dihydro-6H-quinazolin-5-one (7S)-4-anilino-2-[(3S,5S)-3,5-di…

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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)	5.68	14.93	-7.92	1	5	0	58	364.493	3	↓ MOL2 SDF SMILES Flexibase

54438186

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(phenoxymethyl)-7,8-dihydro-6H-quinazolin-5-one 2-(phenoxymethyl)-7,8-dihydro-6H…

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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)	2.09	6.56	-9.74	0	4	0	52	254.289	3	↓ MOL2 SDF SMILES Flexibase

54438188

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7,7-dimethyl-2-(phenoxymethyl)-6,8-dihydroquinazolin-5-one 7,7-dimethyl-2-(phenoxymethyl)-6…

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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	7.49	-9.33	0	4	0	52	282.343	3	↓ MOL2 SDF SMILES Flexibase

62608724

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2-chloro-4-fluoro-phenyl)methyl]-7,8-dihydro-6H-quinazolin-5-one 2-[(2-chloro-4-fluoro-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)	3.17	8.39	-7.66	0	3	0	43	290.725	2	↓ MOL2 SDF SMILES Flexibase

68849021

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,2-dimethylpropyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one 2-(2,2-dimethylpropyl)-7,7-dimet…

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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	7.4	-6.24	0	3	0	43	246.354	2	↓ MOL2 SDF SMILES Flexibase

538995

Analogs

538996
544348

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-2-[2-(2-furyl)ethylamino]-7-phenyl-7,8-dihydro-6H-quinazolin-5-one (7S)-2-[2-(2-furyl)ethylamino]-7…

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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)	3.79	-0.21	-9.88	1	5	0	68	333.391	5	↓ MOL2 SDF SMILES Flexibase

538996

Analogs

544348
538995

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-[2-(2-furyl)ethylamino]-7-phenyl-7,8-dihydro-6H-quinazolin-5-one (7R)-2-[2-(2-furyl)ethylamino]-7…

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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)	3.79	-0.21	-9.69	1	5	0	68	333.391	5	↓ MOL2 SDF SMILES Flexibase

539020

Analogs

539021

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethyl-N-[(7R)-5-keto-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl]butyramide 2-ethyl-N-[(7R)-5-keto-7-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)	4.18	0.46	-12.76	1	5	0	71	337.423	5	↓ MOL2 SDF SMILES Flexibase

539021

Analogs

539020

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethyl-N-[(7S)-5-keto-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl]butyramide 2-ethyl-N-[(7S)-5-keto-7-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)	4.18	0.47	-13.05	1	5	0	71	337.423	5	↓ MOL2 SDF SMILES Flexibase

539637

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-N-(5-keto-7,7-dimethyl-6,8-dihydroquinazolin-2-yl)-3-(o-tolyl)acrylamide (E)-N-(5-keto-7,7-dimethyl-6,8-d…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.72	0.78	-13.75	1	5	0	71	335.407	3	↓ MOL2 SDF SMILES Flexibase

539664

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-keto-7,7-dimethyl-6,8-dihydroquinazolin-2-yl)-2-phenyl-acetamide N-(5-keto-7,7-dimethyl-6,8-dihyd…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.95	0.29	-14.94	1	5	0	71	309.369	3	↓ MOL2 SDF SMILES Flexibase

540128

Analogs

4777154
4777155
12407518

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-[(3S,5S)-3,5-dimethylpiperidino]-7-(2-furyl)-7,8-dihydro-6H-quinazolin-5-one (7R)-2-[(3S,5S)-3,5-dimethylpipe…

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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)	3.50	0.16	-6.81	0	5	0	59	325.412	2	↓ MOL2 SDF SMILES Flexibase

540134

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-keto-7,7-dimethyl-6,8-dihydroquinazolin-2-yl)-2-methoxy-benzamide N-(5-keto-7,7-dimethyl-6,8-dihyd…

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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)	3.41	0.98	-17.39	1	6	0	81	325.368	3	↓ MOL2 SDF SMILES Flexibase

540142

Analogs

540143
2425936
2425937
2429493
2429494

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-2-indolin-1-yl-7-phenyl-7,8-dihydro-6H-quinazolin-5-one (7S)-2-indolin-1-yl-7-phenyl-7,8…

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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	14.12	-9.42	0	4	0	46	341.414	2	↓ MOL2 SDF SMILES Flexibase

540143

Analogs

2425936
2425937
2429493
2429494
20101624

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-indolin-1-yl-7-phenyl-7,8-dihydro-6H-quinazolin-5-one (7R)-2-indolin-1-yl-7-phenyl-7,8…

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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	14.12	-9.41	0	4	0	46	341.414	2	↓ MOL2 SDF SMILES Flexibase

540635

Analogs

540636
2368222
2368223
536642

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(7S)-5-keto-7-(p-tolyl)-7,8-dihydro-6H-quinazolin-2-yl]-2-furamide N-[(7S)-5-keto-7-(p-tolyl)-7,8-d…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.47	10.23	-13.22	1	6	0	85	347.374	3	↓ MOL2 SDF SMILES Flexibase

540636

Analogs

2368222
2368223
536642

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(7R)-5-keto-7-(p-tolyl)-7,8-dihydro-6H-quinazolin-2-yl]-2-furamide N-[(7R)-5-keto-7-(p-tolyl)-7,8-d…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.47	0.74	-13.18	1	6	0	85	347.374	3	↓ MOL2 SDF SMILES Flexibase

540681

Analogs

1431642
1431643
32122397

Draw Identity 99% 90% 80% 70%

Popular Name: 2-indolin-1-yl-7,7-dimethyl-6,8-dihydroquinazolin-5-one 2-indolin-1-yl-7,7-dimethyl-6,8-…

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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)	3.34	11.62	-9.5	0	4	0	46	293.37	1	↓ MOL2 SDF SMILES Flexibase

540999

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-keto-7,8-dihydro-6H-quinazolin-2-yl)-3-phenyl-propionamide N-(5-keto-7,8-dihydro-6H-quinazo…

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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)	2.58	9.58	-14.32	1	5	0	72	295.342	4	↓ MOL2 SDF SMILES Flexibase

541052

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-Furancarboxamide, N-(5,6,7,8-tetrahydro-5-oxo-2-quinazolinyl)- (9CI) 2-Furancarboxamide, N-(5,6,7,8-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)	1.23	-0.22	-14.13	1	6	0	85	257.249	2	↓ MOL2 SDF SMILES Flexibase

541436

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-keto-7,8-dihydro-6H-quinazolin-2-yl)-2-phenyl-acetamide N-(5-keto-7,8-dihydro-6H-quinazo…

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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)	2.06	-0.49	-15.98	1	5	0	71	281.315	3	↓ MOL2 SDF SMILES Flexibase

541721

Analogs

541723

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-7-(2-furyl)-7,8-dihydro-6H-quinazolin-5-one (7R)-2-(3,4-dihydro-1H-isoquinol…

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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	12.5	-8.42	0	5	0	59	345.402	2	↓ MOL2 SDF SMILES Flexibase

541723

Analogs

541721

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-7-(2-furyl)-7,8-dihydro-6H-quinazolin-5-one (7S)-2-(3,4-dihydro-1H-isoquinol…

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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	12.5	-8.4	0	5	0	59	345.402	2	↓ MOL2 SDF SMILES Flexibase

542147

Analogs

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Popular Name: 3-chloro-N-(5-keto-7,7-dimethyl-6,8-dihydroquinazolin-2-yl)benzamide 3-chloro-N-(5-keto-7,7-dimethyl-…

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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)	3.51	0.14	-12	1	5	0	71	329.787	2	↓ MOL2 SDF SMILES Flexibase

542283

Analogs

4301628
4301629
13115637

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Popular Name: (7R)-2-[(3S,5R)-3,5-dimethylpiperidino]-7-phenyl-7,8-dihydro-6H-quinazolin-5-one (7R)-2-[(3S,5R)-3,5-dimethylpipe…

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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)	4.72	-0.81	-6.93	0	4	0	46	335.451	2	↓ MOL2 SDF SMILES Flexibase

542438

Analogs

13636015
13636018

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Popular Name: N-(5-keto-7,7-dimethyl-6,8-dihydroquinazolin-2-yl)thiophene-2-carboxamide N-(5-keto-7,7-dimethyl-6,8-dihyd…

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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	-0.68	-13.06	1	5	0	71	301.371	2	↓ MOL2 SDF SMILES Flexibase

542795

Analogs

542796

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-7-(2-furyl)-2-indolin-1-yl-7,8-dihydro-6H-quinazolin-5-one (7R)-7-(2-furyl)-2-indolin-1-yl-…

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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)	3.03	1.58	-9.51	0	5	0	59	331.375	2	↓ MOL2 SDF SMILES Flexibase

542796

Analogs

542795

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-7-(2-furyl)-2-indolin-1-yl-7,8-dihydro-6H-quinazolin-5-one (7S)-7-(2-furyl)-2-indolin-1-yl-…

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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)	3.03	1.58	-9.54	0	5	0	59	331.375	2	↓ MOL2 SDF SMILES Flexibase

542822

Analogs

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Popular Name: N-[(5-keto-7,8-dihydro-6H-quinazolin-2-yl)carbamoyl]-4-methyl-benzamide N-[(5-keto-7,8-dihydro-6H-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)	2.07	-1.26	-23.76	2	7	0	101	324.34	2	↓ MOL2 SDF SMILES Flexibase

542875

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-keto-7,7-dimethyl-6,8-dihydroquinazolin-2-yl)-3-nitro-benzamide N-(5-keto-7,7-dimethyl-6,8-dihyd…

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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	0.81	-20.94	1	8	0	117	340.339	3	↓ MOL2 SDF SMILES Flexibase

1383624

Analogs

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Popular Name: 2-(4-{[4-(trifluoromethyl)benzyl]oxy}phenyl)-7,8-dihydro-5(6H)-quinazolinone 2-(4-{[4-(trifluoromethyl)benzyl…

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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	2.47	-11.04	0	4	0	52	398.384	5	↓ MOL2 SDF SMILES Flexibase

2088874

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[7-(2-furyl)-5-oxo-5,6,7,8-tetrahydro-2-quinazolinyl]hexanamide N-[7-(2-furyl)-5-oxo-5,6,7,8-tet…

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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)	3.29	0.73	-13.27	1	6	0	85	327.384	6	↓ MOL2 SDF SMILES Flexibase

2088875

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[7-(2-furyl)-5-oxo-5,6,7,8-tetrahydro-2-quinazolinyl]hexanamide N-[7-(2-furyl)-5-oxo-5,6,7,8-tet…

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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)	3.29	0.73	-13.23	1	6	0	85	327.384	6	↓ MOL2 SDF SMILES Flexibase

2347412

Analogs

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Popular Name: (7R)-4-methyl-2-(4-phenylpiperazino)-7-(2-thienyl)-7,8-dihydro-6H-quinazolin-5-one (7R)-4-methyl-2-(4-phenylpiperaz…

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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	-4.02	-7.08	0	5	0	49	404.539	3	↓ MOL2 SDF SMILES Flexibase

2347414

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-4-methyl-2-(4-phenylpiperazino)-7-(2-thienyl)-7,8-dihydro-6H-quinazolin-5-one (7S)-4-methyl-2-(4-phenylpiperaz…

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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	-4.03	-7.07	0	5	0	49	404.539	3	↓ MOL2 SDF SMILES Flexibase

4736664

Analogs

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Popular Name: 7-phenyl-2-(tetrahydrofuran-2-ylmethylamino)-7,8-dihydro-6H-quinazolin-5-one 7-phenyl-2-(tetrahydrofuran-2-yl…

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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)	3.11	-2.43	-7.98	1	5	0	64	323.396	4	↓ MOL2 SDF SMILES Flexibase

4736665

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-phenyl-2-(tetrahydrofuran-2-ylmethylamino)-7,8-dihydro-6H-quinazolin-5-one 7-phenyl-2-(tetrahydrofuran-2-yl…

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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)	3.11	-2.39	-7.97	1	5	0	64	323.396	4	↓ MOL2 SDF SMILES Flexibase

4736666

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-phenyl-2-(tetrahydrofuran-2-ylmethylamino)-7,8-dihydro-6H-quinazolin-5-one 7-phenyl-2-(tetrahydrofuran-2-yl…

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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)	3.11	-2.34	-7.92	1	5	0	64	323.396	4	↓ MOL2 SDF SMILES Flexibase

4736667

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-phenyl-2-(tetrahydrofuran-2-ylmethylamino)-7,8-dihydro-6H-quinazolin-5-one 7-phenyl-2-(tetrahydrofuran-2-yl…

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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)	3.11	-2.36	-8.31	1	5	0	64	323.396	4	↓ MOL2 SDF SMILES Flexibase

4736726

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-anilino-2-(1-piperidyl)-7,8-dihydro-6H-quinazolin-5-one 4-anilino-2-(1-piperidyl)-7,8-di…

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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)	4.49	-1.67	-8.83	1	5	0	58	322.412	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
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Structural Results Found: (before additional filtering)

SQL Query Was

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