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

11835553

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-7-(2-methoxyethyl)-1,3-dimethyl-2,4-dioxo-pyrrolo[4,5-e]pyrimidine-6-carboxamide N-benzyl-7-(2-methoxyethyl)-1,3-…

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)	0.66	-1.12	-10.52	1	8	0	87	370.409	6	↓ MOL2 SDF SMILES Flexibase

11835554

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-(2-methoxyethyl)-1,3-dimethyl-2,4-dioxo-N-phenethyl-pyrrolo[4,5-e]pyrimidine-6-carboxamide 7-(2-methoxyethyl)-1,3-dimethyl-…

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)	1.07	-0.97	-12.28	1	8	0	87	384.436	7	↓ MOL2 SDF SMILES Flexibase

11835555

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-(2-methoxyethyl)-1,3-dimethyl-2,4-dioxo-N-phenyl-pyrrolo[4,5-e]pyrimidine-6-carboxamide 7-(2-methoxyethyl)-1,3-dimethyl-…

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)	0.96	0.21	-13.3	1	8	0	87	356.382	5	↓ MOL2 SDF SMILES Flexibase

11835556

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chloro-4-fluoro-phenyl)-7-(2-methoxyethyl)-1,3-dimethyl-2,4-dioxo-pyrrolo[4,5-e]pyrimidine-6-ca N-(3-chloro-4-fluoro-phenyl)-7-(…

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	0.89	-12.15	1	8	0	87	408.817	5	↓ MOL2 SDF SMILES Flexibase

11835557

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-carbamoylphenyl)-7-(2-methoxyethyl)-1,3-dimethyl-2,4-dioxo-pyrrolo[4,5-e]pyrimidine-6-carboxami N-(2-carbamoylphenyl)-7-(2-metho…

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)	-0.27	-2.55	-14.78	3	10	0	130	399.407	6	↓ MOL2 SDF SMILES Flexibase

11835558

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-chlorophenyl)-7-(2-methoxyethyl)-1,3-dimethyl-2,4-dioxo-pyrrolo[4,5-e]pyrimidine-6-carboxamide N-(2-chlorophenyl)-7-(2-methoxye…

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)	1.59	-0.27	-10.04	1	8	0	87	390.827	5	↓ MOL2 SDF SMILES Flexibase

11835563

Analogs

11835564

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-7-(2-methoxyethyl)-1,3-dimethyl-2,4-dioxo-pyrrolo[4,5-e]pyrimidine-6- N-[(3R)-1,1-dioxothiolan-3-yl]-7…

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)	-1.22	-5.78	-20.54	1	10	0	121	398.441	5	↓ MOL2 SDF SMILES Flexibase

11835564

Analogs

11835563

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-1,1-dioxothiolan-3-yl]-7-(2-methoxyethyl)-1,3-dimethyl-2,4-dioxo-pyrrolo[4,5-e]pyrimidine-6- N-[(3S)-1,1-dioxothiolan-3-yl]-7…

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)	-1.22	-5.74	-19.99	1	10	0	121	398.441	5	↓ MOL2 SDF SMILES Flexibase

11835572

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-(2-methoxyethyl)-N-(3-methoxypropyl)-1,3-dimethyl-2,4-dioxo-pyrrolo[4,5-e]pyrimidine-6-carboxamide 7-(2-methoxyethyl)-N-(3-methoxyp…

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)	-0.48	-1.84	-11.58	1	9	0	97	352.391	8	↓ MOL2 SDF SMILES Flexibase

11835573

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-furylmethyl)-7-(2-methoxyethyl)-1,3-dimethyl-2,4-dioxo-pyrrolo[4,5-e]pyrimidine-6-carboxamide N-(2-furylmethyl)-7-(2-methoxyet…

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)	-0.08	0.04	-12.86	1	9	0	100	360.37	6	↓ MOL2 SDF SMILES Flexibase

11835576

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-(2-methoxyethyl)-1,3-dimethyl-2,4-dioxo-N-phenacyl-pyrrolo[4,5-e]pyrimidine-6-carboxamide 7-(2-methoxyethyl)-1,3-dimethyl-…

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)	0.41	-1.02	-12.64	1	9	0	104	398.419	7	↓ MOL2 SDF SMILES Flexibase

11835577

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chlorophenyl)-7-(2-methoxyethyl)-1,3-dimethyl-2,4-dioxo-pyrrolo[4,5-e]pyrimidine-6-carboxamide N-(4-chlorophenyl)-7-(2-methoxye…

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)	1.64	0.1	-13	1	8	0	87	390.827	5	↓ MOL2 SDF SMILES Flexibase

11835589

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(2-methoxyethyl)-1,3-dimethyl-2,4-dioxo-pyrrolo[4,5-e]pyrimid N-(2,3-dihydro-1,4-benzodioxin-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)	0.47	-0.56	-14.64	1	10	0	106	414.418	5	↓ MOL2 SDF SMILES Flexibase

11835594

Analogs

11835595

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2,3-dihydroxypropyl]-7-(2-methoxyethyl)-1,3-dimethyl-2,4-dioxo-pyrrolo[4,5-e]pyrimidine-6-ca N-[(2R)-2,3-dihydroxypropyl]-7-(…

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)	-2.01	-6.7	-13.56	3	10	0	128	354.363	7	↓ MOL2 SDF SMILES Flexibase

11835595

Analogs

11835594

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2,3-dihydroxypropyl]-7-(2-methoxyethyl)-1,3-dimethyl-2,4-dioxo-pyrrolo[4,5-e]pyrimidine-6-ca N-[(2S)-2,3-dihydroxypropyl]-7-(…

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)	-2.01	-6.63	-13.47	3	10	0	128	354.363	7	↓ MOL2 SDF SMILES Flexibase

11835596

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1,3-benzodioxol-5-yl)-7-(2-methoxyethyl)-1,3-dimethyl-2,4-dioxo-pyrrolo[4,5-e]pyrimidine-6-carbox N-(1,3-benzodioxol-5-yl)-7-(2-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)	0.85	-0.62	-14.42	1	10	0	106	400.391	5	↓ MOL2 SDF SMILES Flexibase

11835597

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: isopropyl isopropyl

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)	-0.13	-0.09	-11.4	1	10	0	114	380.401	8	↓ MOL2 SDF SMILES Flexibase

11835598

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-butylphenyl)-7-(2-methoxyethyl)-1,3-dimethyl-2,4-dioxo-pyrrolo[4,5-e]pyrimidine-6-carboxamide N-(4-butylphenyl)-7-(2-methoxyet…

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)	2.83	0.97	-12.99	1	8	0	87	412.49	8	↓ MOL2 SDF SMILES Flexibase

11835599

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,4-dimethoxyphenyl)-7-(2-methoxyethyl)-1,3-dimethyl-2,4-dioxo-pyrrolo[4,5-e]pyrimidine-6-carboxa N-(2,4-dimethoxyphenyl)-7-(2-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)	1.00	-0.14	-11.85	1	10	0	106	416.434	7	↓ MOL2 SDF SMILES Flexibase

11835602

Analogs

16890785

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-isopropylphenyl)-7-(2-methoxyethyl)-1,3-dimethyl-2,4-dioxo-pyrrolo[4,5-e]pyrimidine-6-carboxami N-(4-isopropylphenyl)-7-(2-metho…

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)	2.47	1.04	-13.01	1	8	0	87	398.463	6	↓ MOL2 SDF SMILES Flexibase

11835603

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[7-(2-methoxyethyl)-1,3-dimethyl-2,4-dioxo-pyrrolo[4,5-e]pyrimidine-6-carbonyl]piperidine-4-carbox 1-[7-(2-methoxyethyl)-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)	-0.99	-3.07	-18.14	2	10	0	122	391.428	5	↓ MOL2 SDF SMILES Flexibase

11835604

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-chloro-2-methoxy-phenyl)-7-(2-methoxyethyl)-1,3-dimethyl-2,4-dioxo-pyrrolo[4,5-e]pyrimidine-6-c N-(5-chloro-2-methoxy-phenyl)-7-…

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)	1.62	0.17	-14.24	1	9	0	97	420.853	6	↓ MOL2 SDF SMILES Flexibase

11835606

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cycloheptyl-7-(2-methoxyethyl)-1,3-dimethyl-2,4-dioxo-pyrrolo[4,5-e]pyrimidine-6-carboxamide N-cycloheptyl-7-(2-methoxyethyl)…

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)	1.67	-1.33	-10.28	1	8	0	87	376.457	5	↓ MOL2 SDF SMILES Flexibase

11835607

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-fluorophenyl)-7-(2-methoxyethyl)-1,3-dimethyl-2,4-dioxo-pyrrolo[4,5-e]pyrimidine-6-carboxamide N-(2-fluorophenyl)-7-(2-methoxye…

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)	1.08	0.49	-10.63	1	8	0	87	374.372	5	↓ MOL2 SDF SMILES Flexibase

11835620

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-chlorophenyl)methyl]-7-(2-methoxyethyl)-1,3-dimethyl-2,4-dioxo-pyrrolo[4,5-e]pyrimidine-6-carb N-[(2-chlorophenyl)methyl]-7-(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)	1.29	-1.3	-11.12	1	8	0	87	404.854	6	↓ MOL2 SDF SMILES Flexibase

11835625

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-7-(2-methoxyethyl)-1,3-dimethyl-N-(o-tolyl)-2,4-dioxo-pyrrolo[4,5-e]pyrimidine-6-carboxamide N-ethyl-7-(2-methoxyethyl)-1,3-d…

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)	1.98	1.89	-10.89	0	8	0	78	398.463	6	↓ MOL2 SDF SMILES Flexibase

11835628

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-fluoro-4-methyl-phenyl)-7-(2-methoxyethyl)-1,3-dimethyl-2,4-dioxo-pyrrolo[4,5-e]pyrimidine-6-ca N-(3-fluoro-4-methyl-phenyl)-7-(…

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)	1.50	0.73	-11.12	1	8	0	87	388.399	5	↓ MOL2 SDF SMILES Flexibase

11835629

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl 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)	1.26	1.24	-12.01	1	10	0	114	414.418	7	↓ MOL2 SDF SMILES Flexibase

11835636

Analogs

11835637

Draw Identity 99% 90% 80% 70%

Popular Name: 7-(2-methoxyethyl)-1,3-dimethyl-N-[(1S)-1-methyl-3-phenyl-propyl]-2,4-dioxo-pyrrolo[4,5-e]pyrimidine 7-(2-methoxyethyl)-1,3-dimethyl-…

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)	1.92	-0.02	-11.71	1	8	0	87	412.49	8	↓ MOL2 SDF SMILES Flexibase

11835637

Analogs

11835636

Draw Identity 99% 90% 80% 70%

Popular Name: 7-(2-methoxyethyl)-1,3-dimethyl-N-[(1R)-1-methyl-3-phenyl-propyl]-2,4-dioxo-pyrrolo[4,5-e]pyrimidine 7-(2-methoxyethyl)-1,3-dimethyl-…

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)	1.92	-0.06	-11.64	1	8	0	87	412.49	8	↓ MOL2 SDF SMILES Flexibase

11835640

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-(2-methoxyethyl)-1,3-dimethyl-2,4-dioxo-N-(4-phenoxyphenyl)pyrrolo[4,5-e]pyrimidine-6-carboxamide 7-(2-methoxyethyl)-1,3-dimethyl-…

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)	2.72	0.98	-14.84	1	9	0	97	448.479	7	↓ MOL2 SDF SMILES Flexibase

11835641

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(1H-indol-3-yl)ethyl]-7-(2-methoxyethyl)-1,3-dimethyl-2,4-dioxo-pyrrolo[4,5-e]pyrimidine-6-carb N-[2-(1H-indol-3-yl)ethyl]-7-(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)	1.22	-2.01	-15.06	2	9	0	103	423.473	7	↓ MOL2 SDF SMILES Flexibase

11835642

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(3,4-dihydro-2H-quinoline-1-carbonyl)-7-(2-methoxyethyl)-1,3-dimethyl-pyrrolo[3,2-e]pyrimidine-2,4 6-(3,4-dihydro-2H-quinoline-1-ca…

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)	1.72	0.38	-11.67	0	8	0	78	396.447	4	↓ MOL2 SDF SMILES Flexibase

11835647

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-7-(2-methoxyethyl)-1,3-dimethyl-pyrrolo[3,2-e]pyrimidi 6-[4-(furan-2-carbonyl)piperazin…

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)	-0.31	-0.19	-15.11	0	11	0	112	443.46	5	↓ MOL2 SDF SMILES Flexibase

11835652

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-acetylphenyl)-7-(2-methoxyethyl)-1,3-dimethyl-2,4-dioxo-pyrrolo[4,5-e]pyrimidine-6-carboxamide N-(3-acetylphenyl)-7-(2-methoxye…

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)	0.84	0.74	-15.56	1	9	0	104	398.419	6	↓ MOL2 SDF SMILES Flexibase

11835653

Analogs

11835654

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-4-acetyl-1-cyclohexa-2,4-dienyl]-7-(2-methoxyethyl)-1,3-dimethyl-2,4-dioxo-pyrrolo[4,5-e]pyr N-[(1R)-4-acetyl-1-cyclohexa-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)	-0.10	-0.48	-13.61	1	9	0	104	400.435	6	↓ MOL2 SDF SMILES Flexibase

11835654

Analogs

11835653

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-4-acetyl-1-cyclohexa-2,4-dienyl]-7-(2-methoxyethyl)-1,3-dimethyl-2,4-dioxo-pyrrolo[4,5-e]pyr N-[(1S)-4-acetyl-1-cyclohexa-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)	-0.10	-0.55	-13.78	1	9	0	104	400.435	6	↓ MOL2 SDF SMILES Flexibase

11835655

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chloro-4-methyl-phenyl)-7-(2-methoxyethyl)-1,3-dimethyl-2,4-dioxo-pyrrolo[4,5-e]pyrimidine-6-ca N-(3-chloro-4-methyl-phenyl)-7-(…

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)	2.02	-0.12	-10.75	1	8	0	87	404.854	5	↓ MOL2 SDF SMILES Flexibase

11835664

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-7-(2-methoxyethyl)-1,3-dimethyl-2,4-dioxo-pyrrolo[4,5-e]pyrimidine- N-[2-(3,4-dimethoxyphenyl)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)	0.71	-0.63	-16.83	1	10	0	106	444.488	9	↓ MOL2 SDF SMILES Flexibase

11835665

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-(2-methoxyethyl)-N-[2-(2-methoxyphenyl)ethyl]-1,3-dimethyl-2,4-dioxo-pyrrolo[4,5-e]pyrimidine-6-ca 7-(2-methoxyethyl)-N-[2-(2-metho…

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)	1.08	-0.87	-13.1	1	9	0	97	414.462	8	↓ MOL2 SDF SMILES Flexibase

11835671

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-(2-methoxyethyl)-1,3-dimethyl-N-(2-methylsulfanylphenyl)-2,4-dioxo-pyrrolo[4,5-e]pyrimidine-6-carb 7-(2-methoxyethyl)-1,3-dimethyl-…

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)	1.35	-0.39	-11.02	1	8	0	87	402.476	6	↓ MOL2 SDF SMILES Flexibase

11835674

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(4,4-dimethyloxazolidine-3-carbonyl)-7-(2-methoxyethyl)-1,3-dimethyl-pyrrolo[3,2-e]pyrimidine-2,4- 6-(4,4-dimethyloxazolidine-3-car…

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)	0.15	-1.17	-11.1	0	9	0	88	364.402	4	↓ MOL2 SDF SMILES Flexibase

11835675

Analogs

11835676

Draw Identity 99% 90% 80% 70%

Popular Name: 7-(2-methoxyethyl)-1,3-dimethyl-2,4-dioxo-N-[(1S)-1-phenylethyl]pyrrolo[4,5-e]pyrimidine-6-carboxami 7-(2-methoxyethyl)-1,3-dimethyl-…

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)	1.22	-0.33	-10.8	1	8	0	87	384.436	6	↓ MOL2 SDF SMILES Flexibase

11835676

Analogs

11835675

Draw Identity 99% 90% 80% 70%

Popular Name: 7-(2-methoxyethyl)-1,3-dimethyl-2,4-dioxo-N-[(1R)-1-phenylethyl]pyrrolo[4,5-e]pyrimidine-6-carboxami 7-(2-methoxyethyl)-1,3-dimethyl-…

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)	1.22	-0.33	-10.71	1	8	0	87	384.436	6	↓ MOL2 SDF SMILES Flexibase

11835681

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(1-cyclohexenyl)ethyl]-7-(2-methoxyethyl)-1,3-dimethyl-2,4-dioxo-pyrrolo[4,5-e]pyrimidine-6-car N-[2-(1-cyclohexenyl)ethyl]-7-(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)	1.64	-1.12	-10.83	1	8	0	87	388.468	7	↓ MOL2 SDF SMILES Flexibase

11835685

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-isopentyl-7-(2-methoxyethyl)-1,3-dimethyl-2,4-dioxo-pyrrolo[4,5-e]pyrimidine-6-carboxamide N-isopentyl-7-(2-methoxyethyl)-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)	0.92	-0.73	-10.47	1	8	0	87	350.419	7	↓ MOL2 SDF SMILES Flexibase

11835696

Analogs

11835697

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-1,3-dimethyl-2,4-dioxo-7-[[(2S)-tetrahydrofuran-2-yl]methyl]pyrrolo[4,5-e]pyrimidine-6-carb N-benzyl-1,3-dimethyl-2,4-dioxo-…

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)	1.05	-1.54	-12.2	1	8	0	87	396.447	5	↓ MOL2 SDF SMILES Flexibase

11835697

Analogs

11835696

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-1,3-dimethyl-2,4-dioxo-7-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrrolo[4,5-e]pyrimidine-6-carb N-benzyl-1,3-dimethyl-2,4-dioxo-…

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)	1.05	-1.44	-11.09	1	8	0	87	396.447	5	↓ MOL2 SDF SMILES Flexibase

11844863

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-(2-furylmethyl)-1,3-dimethyl-2,4-dioxo-N-phenethyl-pyrrolo[4,5-e]pyrimidine-6-carboxamide 7-(2-furylmethyl)-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)	1.94	0.44	-12.54	1	8	0	91	406.442	6	↓ MOL2 SDF SMILES Flexibase

11844869

Analogs

11844870

Draw Identity 99% 90% 80% 70%

Popular Name: 7-(2-furylmethyl)-1,3-dimethyl-2,4-dioxo-N-[[(2S)-tetrahydrofuran-2-yl]methyl]pyrrolo[4,5-e]pyrimidi 7-(2-furylmethyl)-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)	0.51	0.42	-13.84	1	9	0	100	386.408	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 57182
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 = 57182 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=57182&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": "57182"        

    });
</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