ZINC 12

User Information

Not Authenticated — sign in

Active cart: Temporary Cart (0 items)

Navigation

About
- ZINC
- BCIRC
- Irwin Lab
- Shoichet Lab
- UCSF
- Acknowledgements
- Facts
- Usage
Search
- By:
- Text
- Structure
- Properties
- Catalogs
- ZINC
- Targets
- Rings
- Combination
Subsets
- By:
- Catalog
- Property
- Target
- Ring
- Cart
Help
- Introduction
- FAQ
- Scripting/API
- Quick Search
- Problems
- Filtering
- History
Social
- ZINC Fans
- Decoy Club
- DOCK Fans
- Facebook
- Twitter
- Blog
- Linkedin
Quick Search ZINC ID or SMILES

Results
Query Details

Page Size:

Format: Representations: Purchasability:

ZINC Item

Suppliers, Protomers, & Similar Substances

6729470

Analogs

4884614
4884656

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl 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)	2.03	-2.37	-18.6	1	9	0	116	417.443	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.03	-1.79	-47.43	0	9	-1	118	416.435	6	↓ MOL2 SDF SMILES Flexibase

6729473

Analogs

4884644

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-ethylphenyl)-1,3-dimethyl-2,4-dioxo-quinazoline-6-sulfonamide N-(2-ethylphenyl)-1,3-dimethyl-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)	2.37	-2.83	-15.07	1	7	0	90	373.434	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.37	-2.36	-43.49	0	7	-1	92	372.426	4	↓ MOL2 SDF SMILES Flexibase

6729477

Analogs

4969827
4884614
4884625
4884644

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,5-dimethylphenyl)-1,3-dimethyl-2,4-dioxo-quinazoline-6-sulfonamide N-(2,5-dimethylphenyl)-1,3-dimet…

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)	2.33	-2.74	-15.15	1	7	0	90	373.434	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.33	-2.27	-44.06	0	7	-1	92	372.426	3	↓ MOL2 SDF SMILES Flexibase

6729480

Analogs

4884656

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl 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)	2.05	-2.74	-16.49	1	9	0	116	417.443	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.05	-2.17	-41.87	0	9	-1	118	416.435	6	↓ MOL2 SDF SMILES Flexibase

6729483

Analogs

34855121
4884616

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,5-dimethoxyphenyl)-1,3-dimethyl-2,4-dioxo-quinazoline-6-sulfonamide N-(2,5-dimethoxyphenyl)-1,3-dime…

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)	1.55	-3.47	-17.56	1	9	0	108	405.432	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.55	-2.91	-50.48	0	9	-1	110	404.424	5	↓ MOL2 SDF SMILES Flexibase

6729486

Analogs

4969862
4079720

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,4-dimethylphenyl)-1,3-dimethyl-2,4-dioxo-quinazoline-6-sulfonamide N-(3,4-dimethylphenyl)-1,3-dimet…

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)	2.33	-3.23	-14.17	1	7	0	90	373.434	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.33	-2.65	-47.08	0	7	-1	92	372.426	3	↓ MOL2 SDF SMILES Flexibase

6729489

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3-dimethyl-2,4-dioxo-N-[2-(p-tolyl)ethyl]quinazoline-6-sulfonamide 1,3-dimethyl-2,4-dioxo-N-[2-(p-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)	2.06	6.22	-16.09	1	7	0	90	387.461	5	↓ MOL2 SDF SMILES Flexibase

6729492

Analogs

4079720
4884628

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-isopropylphenyl)-1,3-dimethyl-2,4-dioxo-quinazoline-6-sulfonamide N-(4-isopropylphenyl)-1,3-dimeth…

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)	3.02	-3.04	-13.81	1	7	0	90	387.461	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.02	-2.47	-45.65	0	7	-1	92	386.453	4	↓ MOL2 SDF SMILES Flexibase

6729495

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-ethylphenyl)-1,3-dimethyl-2,4-dioxo-quinazoline-6-sulfonamide N-(3-ethylphenyl)-1,3-dimethyl-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	-3.06	-14.91	1	7	0	90	373.434	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.40	-2.48	-44.54	0	7	-1	92	372.426	4	↓ MOL2 SDF SMILES Flexibase

9560764

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1,3-dimethyl-2,4-dioxo-quinazolin-6-yl)-3,4-dimethyl-benzenesulfonamide N-(1,3-dimethyl-2,4-dioxo-quinaz…

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)	2.33	-2.93	-13.73	1	7	0	90	373.434	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.33	-2.35	-43.31	0	7	-1	92	372.426	3	↓ MOL2 SDF SMILES Flexibase

10502774

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(5-bromo-2-thienyl)ethyl]-3-(2,4-dioxoquinazolin-1-yl)-propanamide N-[2-(5-bromo-2-thienyl)ethyl]-3…

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)	2.71	6.27	-15.6	2	6	0	84	422.304	6	↓ MOL2 SDF SMILES Flexibase

10969547

Analogs

25154846

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2,4-dioxoquinazolin-1-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide 3-(2,4-dioxoquinazolin-1-yl)-N-[…

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)	0.90	-5.69	-22.39	2	8	0	118	415.471	6	↓ MOL2 SDF SMILES Flexibase

10969549

Analogs

25154846

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2,4-dioxoquinazolin-1-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide 3-(2,4-dioxoquinazolin-1-yl)-N-[…

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)	0.90	-5.69	-21.89	2	8	0	118	415.471	6	↓ MOL2 SDF SMILES Flexibase

32070825

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(2,4-dioxo-1H-quinazolin-3-yl)-N-(6-methyl-2-pyridyl)hexanamide 6-(2,4-dioxo-1H-quinazolin-3-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)	2.21	8.61	-25.13	2	7	0	97	366.421	7	↓ MOL2 SDF SMILES Flexibase

33219205

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4R)-chroman-4-yl]-3-isopropyl-2,4-dioxo-1H-quinazoline-7-carboxamide N-[(4R)-chroman-4-yl]-3-isopropy…

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)	1.43	6.42	-14.95	2	7	0	93	379.416	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.88	5.31	-45.94	1	7	-1	96	378.408	3	↓ MOL2 SDF SMILES Flexibase

33219206

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4S)-chroman-4-yl]-3-isopropyl-2,4-dioxo-1H-quinazoline-7-carboxamide N-[(4S)-chroman-4-yl]-3-isopropy…

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)	1.43	6.42	-14.94	2	7	0	93	379.416	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.88	5.31	-45.95	1	7	-1	96	378.408	3	↓ MOL2 SDF SMILES Flexibase

33224750

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-isopropyl-N,N-dimethyl-2,4-dioxo-1H-quinazoline-7-carboxamide 3-isopropyl-N,N-dimethyl-2,4-dio…

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)	0.38	4.4	-11.05	1	6	0	75	275.308	2	↓ MOL2 SDF SMILES Flexibase

34753185

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[1-[2-(dimethylamino)-6,7-dimethoxy-quinazolin-4-yl]-4-piperidyl]-1,6-dimethyl-quinazoline-2,4-dio 3-[1-[2-(dimethylamino)-6,7-dime…

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	14.35	-31.87	1	10	1	96	505.599	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.61	13.93	-17.26	0	10	0	95	504.591	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.61	14.29	-29.05	1	10	1	96	505.599	5	↓ MOL2 SDF SMILES Flexibase

34753186

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[1-[6,7-dimethoxy-2-(propylamino)quinazolin-4-yl]-4-piperidyl]-1,6-dimethyl-quinazoline-2,4-dione 3-[1-[6,7-dimethoxy-2-(propylami…

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)	4.13	13.96	-32.34	2	10	1	105	519.626	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.13	13.59	-16.38	1	10	0	104	518.618	7	↓ MOL2 SDF SMILES Flexibase

35497791

Analogs

35497794

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(6-aminohexyl)-2-(3-ethyl-2,4-dioxo-quinazolin-1-yl)propanamide (2S)-N-(6-aminohexyl)-2-(3-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)	0.97	7	-59.44	4	7	1	101	361.466	9	↓ MOL2 SDF SMILES Flexibase

35497794

Analogs

35497791

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(6-aminohexyl)-2-(3-ethyl-2,4-dioxo-quinazolin-1-yl)propanamide (2R)-N-(6-aminohexyl)-2-(3-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)	0.97	7.01	-59.49	4	7	1	101	361.466	9	↓ MOL2 SDF SMILES Flexibase

35497795

Analogs

35497797

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(6-aminohexyl)-2-(2,4-dioxo-3-propyl-quinazolin-1-yl)propanamide (2S)-N-(6-aminohexyl)-2-(2,4-dio…

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)	1.47	7.76	-59.35	4	7	1	101	375.493	10	↓ MOL2 SDF SMILES Flexibase

35497797

Analogs

35497795

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(6-aminohexyl)-2-(2,4-dioxo-3-propyl-quinazolin-1-yl)propanamide (2R)-N-(6-aminohexyl)-2-(2,4-dio…

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)	1.47	7.76	-59.47	4	7	1	101	375.493	10	↓ MOL2 SDF SMILES Flexibase

35497799

Analogs

35497801

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(6-aminohexyl)-2-[3-(3,4-dimethylphenyl)-2,4-dioxo-quinazolin-1-yl]butanamide (2S)-N-(6-aminohexyl)-2-[3-(3,4-…

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)	3.40	11.64	-64.38	4	7	1	101	451.591	10	↓ MOL2 SDF SMILES Flexibase

35497801

Analogs

35497799

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(6-aminohexyl)-2-[3-(3,4-dimethylphenyl)-2,4-dioxo-quinazolin-1-yl]butanamide (2R)-N-(6-aminohexyl)-2-[3-(3,4-…

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)	3.40	11.6	-64.34	4	7	1	101	451.591	10	↓ MOL2 SDF SMILES Flexibase

35497803

Analogs

35497805

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(6-aminohexyl)-2-(3-ethyl-6-methyl-2,4-dioxo-quinazolin-1-yl)butanamide (2S)-N-(6-aminohexyl)-2-(3-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)	1.89	8.71	-59.24	4	7	1	101	389.52	10	↓ MOL2 SDF SMILES Flexibase

35497805

Analogs

35497803

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(6-aminohexyl)-2-(3-ethyl-6-methyl-2,4-dioxo-quinazolin-1-yl)butanamide (2R)-N-(6-aminohexyl)-2-(3-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)	1.89	8.71	-59.27	4	7	1	101	389.52	10	↓ MOL2 SDF SMILES Flexibase

35497807

Analogs

35497809

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(6-aminohexyl)-2-(3-benzyl-2,4-dioxo-quinazolin-1-yl)butanamide (2S)-N-(6-aminohexyl)-2-(3-benzy…

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)	2.69	10.99	-59.28	4	7	1	101	437.564	11	↓ MOL2 SDF SMILES Flexibase

35497809

Analogs

35497807

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(6-aminohexyl)-2-(3-benzyl-2,4-dioxo-quinazolin-1-yl)butanamide (2R)-N-(6-aminohexyl)-2-(3-benzy…

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)	2.69	10.99	-59.42	4	7	1	101	437.564	11	↓ MOL2 SDF SMILES Flexibase

35497811

Analogs

35497813

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(6-aminohexyl)-2-(3-benzyl-2,4-dioxo-quinazolin-1-yl)propanamide (2S)-N-(6-aminohexyl)-2-(3-benzy…

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)	2.18	9.96	-59.26	4	7	1	101	423.537	10	↓ MOL2 SDF SMILES Flexibase

35497813

Analogs

35497811

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(6-aminohexyl)-2-(3-benzyl-2,4-dioxo-quinazolin-1-yl)propanamide (2R)-N-(6-aminohexyl)-2-(3-benzy…

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)	2.18	9.95	-59.26	4	7	1	101	423.537	10	↓ MOL2 SDF SMILES Flexibase

52954903

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-ethyl-2,4-dioxo-quinazolin-1-yl)-N-[3-[(2S)-2-methyl-1-piperidyl]propyl]acetamide 2-(3-ethyl-2,4-dioxo-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)	1.78	9.76	-51.59	2	7	1	78	387.504	7	↓ MOL2 SDF SMILES Flexibase

52954905

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-ethyl-2,4-dioxo-quinazolin-1-yl)-N-[3-[(2R)-2-methyl-1-piperidyl]propyl]acetamide 2-(3-ethyl-2,4-dioxo-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)	1.78	9.76	-51.42	2	7	1	78	387.504	7	↓ MOL2 SDF SMILES Flexibase

17972571

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-ethyl-2,4-dioxo-quinazolin-1-yl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide 2-(3-ethyl-2,4-dioxo-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)	2.32	11.43	-18.42	0	6	0	64	397.5	6	↓ MOL2 SDF SMILES Flexibase

17974642

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[[4-chloro-3-(trifluoromethyl)phenyl]amino]-2-oxo-ethyl]-2-(3-ethyl-2,4-dioxo-quinazolin-1-yl)- N-[2-[[4-chloro-3-(trifluorometh…

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)	3.16	10.45	-20.94	1	8	0	93	496.873	7	↓ MOL2 SDF SMILES Flexibase

11806115

Analogs

3532304

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,4-dioxoquinazolin-1-yl)-N-[2-[5-[(2-fluorophenyl)methylene]-2,4-dioxo-thiazolidin-3-yl]ethyl]ac 2-(2,4-dioxoquinazolin-1-yl)-N-[…

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)	1.16	-2.43	-22.33	2	9	0	123	468.466	6	↓ MOL2 SDF SMILES Flexibase

11806592

Analogs

8938830

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,4-dioxoquinazolin-1-yl)-N-(6-ethylbenzothiazol-2-yl)-acetamide 2-(2,4-dioxoquinazolin-1-yl)-N-(…

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)	2.95	-2.61	-23.27	2	7	0	97	380.429	4	↓ MOL2 SDF SMILES Flexibase

11808577

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,4-dioxoquinazolin-1-yl)-N-[4-(p-tolyl)thiazol-2-yl]-acetamide 2-(2,4-dioxoquinazolin-1-yl)-N-[…

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)	2.68	-2.09	-19.19	2	7	0	97	392.44	4	↓ MOL2 SDF SMILES Flexibase

19453809

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-isopropyl-1-methyl-benzimidazol-5-yl)-2-(1-methyl-2,4-dioxo-quinazolin-3-yl)acetamide N-(2-isopropyl-1-methyl-benzimid…

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)	2.25	9.6	-30.24	1	8	0	91	405.458	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.25	10.03	-38.08	2	8	1	92	406.466	4	↓ MOL2 SDF SMILES Flexibase

11836569

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-benzyl-4-methoxy-phenyl)-2-(2,4-dioxoquinazolin-1-yl)-acetamide N-(3-benzyl-4-methoxy-phenyl)-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)	3.45	-0.85	-20.45	2	7	0	93	415.449	6	↓ MOL2 SDF SMILES Flexibase

11837019

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-(difluoromethoxy)phenyl]methyl]-2-(2,4-dioxoquinazolin-1-yl)-acetamide N-[[4-(difluoromethoxy)phenyl]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)	1.82	-1.52	-19.61	2	7	0	93	375.331	6	↓ MOL2 SDF SMILES Flexibase

11837113

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(1-adamantyl)phenyl]-2-(2,4-dioxoquinazolin-1-yl)-acetamide N-[4-(1-adamantyl)phenyl]-2-(2,4…

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)	4.41	-1.64	-17.15	2	6	0	84	429.52	4	↓ MOL2 SDF SMILES Flexibase

11837844

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,4-dioxoquinazolin-1-yl)-N-[(1-phenylcyclopentyl)methyl]acetamide 2-(2,4-dioxoquinazolin-1-yl)-N-[…

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)	2.88	-1.11	-15.87	2	6	0	84	377.444	5	↓ MOL2 SDF SMILES Flexibase

11838007

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[2-(2,4-dioxoquinazolin-1-yl)acetyl]-2-(4-phenylthiazol-2-yl)-acetohydrazide N'-[2-(2,4-dioxoquinazolin-1-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)	1.02	5.5	-23.25	3	9	0	126	435.465	6	↓ MOL2 SDF SMILES Flexibase

11984610

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[4-[2-(4-ethoxyphenyl)ethyl]-1-piperidyl]carbonylmethyl]quinazoline-2,4-dione 1-[[4-[2-(4-ethoxyphenyl)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)	3.76	-0.7	-19.99	1	7	0	84	435.524	7	↓ MOL2 SDF SMILES Flexibase

11984764

Analogs

26055220

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,4-dioxoquinazolin-1-yl)-N-[(4-fluoro-3-methyl-phenyl)methyl]acetamide 2-(2,4-dioxoquinazolin-1-yl)-N-[…

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)	1.74	-1.5	-17.31	2	6	0	84	341.342	4	↓ MOL2 SDF SMILES Flexibase

53473354

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-ethyl-2,4-dioxo-quinazolin-1-yl)-N-(1-phenylcyclobutyl)acetamide 2-(3-ethyl-2,4-dioxo-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)	2.57	10.3	-18.07	1	6	0	73	377.444	5	↓ MOL2 SDF SMILES Flexibase

53477124

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-ethyl-2,4-dioxo-quinazolin-1-yl)-N-[(1R)-indan-1-yl]acetamide 2-(3-ethyl-2,4-dioxo-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)	2.09	9.6	-20	1	6	0	73	363.417	4	↓ MOL2 SDF SMILES Flexibase

53477126

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-ethyl-2,4-dioxo-quinazolin-1-yl)-N-[(1S)-indan-1-yl]acetamide 2-(3-ethyl-2,4-dioxo-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)	2.09	9.54	-17.55	1	6	0	73	363.417	4	↓ MOL2 SDF SMILES Flexibase

11987476

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,4-dioxoquinazolin-1-yl)-N-[4-(4-methylphenoxy)phenyl]-acetamide 2-(2,4-dioxoquinazolin-1-yl)-N-[…

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)	3.70	-0.76	-20.43	2	7	0	93	401.422	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 4211
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 = 4211 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=4211&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": "4211"        

    });
</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