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ZINC Item

Suppliers, Protomers, & Similar Substances

30831811

Analogs

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Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(4-hydroxy-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]acetamide N-[(3R)-1,1-dioxothiolan-3-yl]-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)	0.95	1.5	-23.23	2	7	0	109	357.457	4	↓ MOL2 SDF SMILES Flexibase

30831813

Analogs

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Popular Name: N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(4-hydroxy-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]acetamide N-[(3S)-1,1-dioxothiolan-3-yl]-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)	0.95	1.51	-22.49	2	7	0	109	357.457	4	↓ MOL2 SDF SMILES Flexibase

52900003

Analogs

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Popular Name: 2-(2-thienylmethyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one 2-(2-thienylmethyl)-5,6,7,8-tetr…

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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)	2.82	6.76	-10.3	1	3	0	46	246.335	2	↓ MOL2 SDF SMILES Flexibase

52919487

Analogs

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Popular Name: 2-(4-propoxyphenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one 2-(4-propoxyphenyl)-5,6,7,8-tetr…

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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	7.91	-9	1	4	0	55	284.359	4	↓ MOL2 SDF SMILES Flexibase

52920980

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-propoxyphenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one 2-(3-propoxyphenyl)-5,6,7,8-tetr…

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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)	3.88	7.9	-9.53	1	4	0	55	284.359	4	↓ MOL2 SDF SMILES Flexibase

19991294

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-benzhydrylpiperazin-1-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one 2-(4-benzhydrylpiperazin-1-yl)-5…

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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)	4.88	11.8	-9.42	1	5	0	52	400.526	4	↓ MOL2 SDF SMILES Flexibase

11991432

Analogs

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Popular Name: 2-[(2-methoxyphenyl)amino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one 2-[(2-methoxyphenyl)amino]-5,6,7…

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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)	3.17	-0.79	-9.69	2	5	0	67	271.32	3	↓ MOL2 SDF SMILES Flexibase

11991433

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-methoxyphenyl)amino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one 2-[(4-methoxyphenyl)amino]-5,6,7…

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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)	3.22	-1.12	-10.57	2	5	0	67	271.32	3	↓ MOL2 SDF SMILES Flexibase

11991434

Analogs

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Popular Name: 2-[(3-chlorophenyl)amino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one 2-[(3-chlorophenyl)amino]-5,6,7,…

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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)	3.82	-1.28	-10.26	2	4	0	58	275.739	2	↓ MOL2 SDF SMILES Flexibase

11991435

Analogs

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Popular Name: propyl 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)	4.21	0.13	-12.9	2	6	0	84	327.384	6	↓ MOL2 SDF SMILES Flexibase

11991436

Analogs

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Popular Name: ethyl 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)	3.71	0.06	-13.12	2	6	0	84	313.357	5	↓ MOL2 SDF SMILES Flexibase

11991437

Analogs

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Popular Name: methyl 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)	3.34	0.09	-13.37	2	6	0	84	299.33	4	↓ MOL2 SDF SMILES Flexibase

11991438

Analogs

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Popular Name: 2-(4-Bromo-phenylamino)-5,6,7,8-tetrahydro-quinazolin-4-ol 2-(4-Bromo-phenylamino)-5,6,7,8-…

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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)	3.97	-1.89	-9.49	2	4	0	58	320.19	2	↓ MOL2 SDF SMILES Flexibase

11991439

Analogs

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Popular Name: 2-[(2,4-dimethoxyphenyl)amino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one 2-[(2,4-dimethoxyphenyl)amino]-5…

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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	-0.9	-10.49	2	6	0	76	301.346	4	↓ MOL2 SDF SMILES Flexibase

11991440

Analogs

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Popular Name: 2-(4-Fluoro-phenylamino)-5,6,7,8-tetrahydro-quinazolin-4-ol 2-(4-Fluoro-phenylamino)-5,6,7,8…

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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)	3.33	-0.39	-10.11	2	4	0	58	259.284	2	↓ MOL2 SDF SMILES Flexibase

11991442

Analogs

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Popular Name: 2-(2-naphthylamino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one 2-(2-naphthylamino)-5,6,7,8-tetr…

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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	-0.93	-10.76	2	4	0	58	291.354	2	↓ MOL2 SDF SMILES Flexibase

11991443

Analogs

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Popular Name: 2-[4-(3-chlorophenyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one 2-[4-(3-chlorophenyl)piperazin-1…

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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)	4.06	-4.78	-9.41	1	5	0	52	344.846	2	↓ MOL2 SDF SMILES Flexibase

11991444

Analogs

18149224
18219663
20394156
20394158
31880453

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4 2-[4-(4-oxo-5,6,7,8-tetrahydro-3…

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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	-6.66	-15.12	2	8	0	98	382.468	2	↓ MOL2 SDF SMILES Flexibase

11991445

Analogs

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Popular Name: 2-(1,3-benzodioxol-5-ylamino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one 2-(1,3-benzodioxol-5-ylamino)-5,…

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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)	3.06	-1.9	-11.53	2	6	0	76	285.303	2	↓ MOL2 SDF SMILES Flexibase

11991446

Analogs

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Popular Name: 2-[(4-chlorophenyl)amino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one 2-[(4-chlorophenyl)amino]-5,6,7,…

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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)	3.84	-1.28	-9.53	2	4	0	58	275.739	2	↓ MOL2 SDF SMILES Flexibase

11991447

Analogs

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Popular Name: isopropyl isopropyl

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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	0.31	-13.22	2	6	0	84	327.384	5	↓ MOL2 SDF SMILES Flexibase

11991449

Analogs

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Popular Name: 2-[(5-chloro-2-methyl-phenyl)amino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one 2-[(5-chloro-2-methyl-phenyl)ami…

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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	-0.57	-9.71	2	4	0	58	289.766	2	↓ MOL2 SDF SMILES Flexibase

11991453

Analogs

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Popular Name: isobutyl isobutyl

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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)	4.46	0.45	-12.74	2	6	0	84	341.411	6	↓ MOL2 SDF SMILES Flexibase

11991454

Analogs

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Popular Name: 2-[(4-hydroxyphenyl)amino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one 2-[(4-hydroxyphenyl)amino]-5,6,7…

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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)	2.69	-3.11	-11.1	3	5	0	78	257.293	2	↓ MOL2 SDF SMILES Flexibase

11991455

Analogs

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Popular Name: 2-[(4-dimethylaminophenyl)amino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one 2-[(4-dimethylaminophenyl)amino]…

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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	-1.18	-10.29	2	5	0	61	284.363	3	↓ MOL2 SDF SMILES Flexibase

11991456

Analogs

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Popular Name: 2-[(4-benzyloxyphenyl)amino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one 2-[(4-benzyloxyphenyl)amino]-5,6…

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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)	4.82	-0.96	-11.45	2	5	0	67	347.418	5	↓ MOL2 SDF SMILES Flexibase

11991457

Analogs

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Popular Name: 2-[(3-chloro-4-methoxy-phenyl)amino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one 2-[(3-chloro-4-methoxy-phenyl)am…

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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	-1.21	-10.9	2	5	0	67	305.765	3	↓ MOL2 SDF SMILES Flexibase

11991458

Analogs

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Popular Name: 2-[(5-chloro-2-methoxy-phenyl)amino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one 2-[(5-chloro-2-methoxy-phenyl)am…

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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	-1.06	-9.61	2	5	0	67	305.765	3	↓ MOL2 SDF SMILES Flexibase

11991459

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3-hydroxyphenyl)amino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one 2-[(3-hydroxyphenyl)amino]-5,6,7…

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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)	2.66	-3.01	-10.86	3	5	0	78	257.293	2	↓ MOL2 SDF SMILES Flexibase

11991461

Analogs

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Popular Name: 2-[(4-anilinophenyl)amino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one 2-[(4-anilinophenyl)amino]-5,6,7…

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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)	5.16	-1.65	-10.82	3	5	0	70	332.407	4	↓ MOL2 SDF SMILES Flexibase

11991462

Analogs

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Popular Name: 4-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)amino]benzenesulfonamide 4-[(4-oxo-5,6,7,8-tetrahydro-3H-…

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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)	1.86	-7.38	-17.16	4	7	0	118	320.374	3	↓ MOL2 SDF SMILES Flexibase

11991464

Analogs

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Popular Name: 2-[(2-hydroxy-5-methyl-phenyl)amino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one 2-[(2-hydroxy-5-methyl-phenyl)am…

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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)	3.32	-2.58	-9.86	3	5	0	78	271.32	2	↓ MOL2 SDF SMILES Flexibase

11991465

Analogs

13109285

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Popular Name: 2-[(4-ethylphenyl)amino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one 2-[(4-ethylphenyl)amino]-5,6,7,8…

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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)	4.08	-0.65	-9.14	2	4	0	58	269.348	3	↓ MOL2 SDF SMILES Flexibase

11991467

Analogs

11991472

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Popular Name: 2-(m-tolylamino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one 2-(m-tolylamino)-5,6,7,8-tetrahy…

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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)	3.59	-0.72	-9.25	2	4	0	58	255.321	2	↓ MOL2 SDF SMILES Flexibase

11991468

Analogs

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Popular Name: 2-[(2,4-dimethylphenyl)amino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one 2-[(2,4-dimethylphenyl)amino]-5,…

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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)	3.99	-0.09	-9.12	2	4	0	58	269.348	2	↓ MOL2 SDF SMILES Flexibase

11991469

Analogs

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Popular Name: 2-[(2,3-dimethylphenyl)amino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one 2-[(2,3-dimethylphenyl)amino]-5,…

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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	-0.19	-9.22	2	4	0	58	269.348	2	↓ MOL2 SDF SMILES Flexibase

11991470

Analogs

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Popular Name: 2-[(2,5-dimethylphenyl)amino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one 2-[(2,5-dimethylphenyl)amino]-5,…

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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)	3.99	-0.1	-9.22	2	4	0	58	269.348	2	↓ MOL2 SDF SMILES Flexibase

11991471

Analogs

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Popular Name: 2-[(3,4-dimethylphenyl)amino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one 2-[(3,4-dimethylphenyl)amino]-5,…

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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)	3.99	-0.52	-9.33	2	4	0	58	269.348	2	↓ MOL2 SDF SMILES Flexibase

11991472

Analogs

11991467

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Popular Name: 2-[(3,5-dimethylphenyl)amino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one 2-[(3,5-dimethylphenyl)amino]-5,…

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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)	3.99	-0.4	-9.35	2	4	0	58	269.348	2	↓ MOL2 SDF SMILES Flexibase

11991473

Analogs

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Popular Name: 2-[(4-hydroxy-2-methyl-phenyl)amino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one 2-[(4-hydroxy-2-methyl-phenyl)am…

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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)	3.06	-2.39	-10.76	3	5	0	78	271.32	2	↓ MOL2 SDF SMILES Flexibase

11991475

Analogs

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Popular Name: 2-[(3,5-dichlorophenyl)amino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one 2-[(3,5-dichlorophenyl)amino]-5,…

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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)	4.45	-1.34	-8.93	2	4	0	58	310.184	2	↓ MOL2 SDF SMILES Flexibase

11991476

Analogs

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Popular Name: 2-(4-Fluoro-benzylamino)-5,6,7,8-tetrahydro-quinazolin-4-ol 2-(4-Fluoro-benzylamino)-5,6,7,8…

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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)	3.01	-1.5	-10.85	2	4	0	58	273.311	3	↓ MOL2 SDF SMILES Flexibase

11991477

Analogs

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Popular Name: 2-(p-tolylmethylamino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one 2-(p-tolylmethylamino)-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)	3.30	-1.92	-9.29	2	4	0	58	269.348	3	↓ MOL2 SDF SMILES Flexibase

11991478

Analogs

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Popular Name: 2-(2-Fluoro-phenylamino)-5,6,7,8-tetrahydro-quinazolin-4-ol 2-(2-Fluoro-phenylamino)-5,6,7,8…

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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)	3.28	-0.26	-9.36	2	4	0	58	259.284	2	↓ MOL2 SDF SMILES Flexibase

12010361

Analogs

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Popular Name: 2-ethoxy-N-[5-(2-furyl)-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-3-yl]naphthalene-1-ca 2-ethoxy-N-[5-(2-furyl)-2-(4-oxo…

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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)	4.69	0.48	-17.85	2	9	0	115	495.539	6	↓ MOL2 SDF SMILES Flexibase

12010364

Analogs

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Popular Name: N-[5-(2-furyl)-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-3-yl]-4-phenyl-benzamide N-[5-(2-furyl)-2-(4-oxo-5,6,7,8-…

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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)	4.94	1.14	-15.43	2	8	0	106	477.524	5	↓ MOL2 SDF SMILES Flexibase

12010401

Analogs

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Popular Name: N-[5-(2-furyl)-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-3-yl]-2-(2-naphthyloxy)acetami N-[5-(2-furyl)-2-(4-oxo-5,6,7,8-…

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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)	4.30	0.71	-20.58	2	9	0	115	481.512	6	↓ MOL2 SDF SMILES Flexibase

12010436

Analogs

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Popular Name: 2-benzylsulfanyl-N-[5-(2-furyl)-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-3-yl]acetamid 2-benzylsulfanyl-N-[5-(2-furyl)-…

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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)	4.01	12.13	-48.85	1	8	-1	109	460.539	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.56	13.54	-18.29	2	8	0	106	461.547	7	↓ MOL2 SDF SMILES Flexibase

12010453

Analogs

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Popular Name: 2-(4-ethoxyphenyl)-N-[5-(2-furyl)-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-3-yl]acetam 2-(4-ethoxyphenyl)-N-[5-(2-furyl…

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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)	4.13	10.98	-49.15	1	9	-1	118	458.498	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.67	12.75	-17.82	2	9	0	115	459.506	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.67	12.39	-18.54	2	9	0	115	459.506	7	↓ MOL2 SDF SMILES Flexibase

12010474

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-(2-furyl)-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-3-yl]-3,3-diphenyl-propanamide N-[5-(2-furyl)-2-(4-oxo-5,6,7,8-…

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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)	4.90	1.36	-16.04	2	8	0	106	505.578	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 11973
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 = 11973 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=11973&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": "11973"        

    });
</script>

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