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

69153740

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-isopropyl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide N-isopropyl-2-phenyl-7,8-dihydro…

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)	3.07	7.63	-13.13	1	5	0	58	296.374	2	↓ MOL2 SDF SMILES Flexibase

64542149

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one 1-[2-(4-methoxyphenyl)-7,8-dihyd…

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)	2.45	7.13	-13.6	0	5	0	55	297.358	3	↓ MOL2 SDF SMILES Flexibase

64542151

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]butan-1-one 1-[2-(4-fluorophenyl)-7,8-dihydr…

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)	3.11	8.66	-12	0	4	0	46	299.349	3	↓ MOL2 SDF SMILES Flexibase

64542152

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-1-(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)butan-1-one 3-methyl-1-(2-phenyl-7,8-dihydro…

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)	3.17	9.21	-12.34	0	4	0	46	295.386	3	↓ MOL2 SDF SMILES Flexibase

64542153

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-1-(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)propan-1-one 2-methyl-1-(2-phenyl-7,8-dihydro…

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)	2.63	8.19	-12.54	0	4	0	46	281.359	2	↓ MOL2 SDF SMILES Flexibase

64542164

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide N-ethyl-2-phenyl-7,8-dihydro-5H-…

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)	2.77	6.8	-13.19	1	5	0	58	282.347	2	↓ MOL2 SDF SMILES Flexibase

64542165

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide N-methyl-2-phenyl-7,8-dihydro-5H…

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)	2.39	5.96	-13.74	1	5	0	58	268.32	1	↓ MOL2 SDF SMILES Flexibase

65168492

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethyl-1-[2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]butan-1-one 2-ethyl-1-[2-(4-methoxyphenyl)-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)	3.70	8.66	-12.61	0	5	0	55	339.439	5	↓ MOL2 SDF SMILES Flexibase

65168495

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-methyl-butan-1-one 1-[2-(4-methoxyphenyl)-7,8-dihyd…

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)	3.22	8.49	-12.82	0	5	0	55	325.412	4	↓ MOL2 SDF SMILES Flexibase

65168502

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3,3-dimethyl-butan-1-one 1-[2-(4-methoxyphenyl)-7,8-dihyd…

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)	3.54	9.03	-11.95	0	5	0	55	339.439	4	↓ MOL2 SDF SMILES Flexibase

65168550

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-ethoxy-ethanone 1-[2-(4-chlorophenyl)-7,8-dihydr…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.55	8.7	-14.97	0	5	0	55	331.803	4	↓ MOL2 SDF SMILES Flexibase

65168556

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-methoxy-propan-1-one 1-[2-(4-chlorophenyl)-7,8-dihydr…

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)	2.45	7.44	-11.3	0	5	0	55	331.803	4	↓ MOL2 SDF SMILES Flexibase

65168564

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-methyl-butan-1-one 1-[2-(4-chlorophenyl)-7,8-dihydr…

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)	3.84	9.73	-11.14	0	4	0	46	329.831	3	↓ MOL2 SDF SMILES Flexibase

65168573

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3,3-dimethyl-butan-1-one 1-[2-(4-chlorophenyl)-7,8-dihydr…

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)	4.16	10.26	-10.26	0	4	0	46	343.858	3	↓ MOL2 SDF SMILES Flexibase

65168622

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethoxy-1-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone 2-ethoxy-1-[2-(4-fluorophenyl)-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)	2.04	8.24	-15.27	0	5	0	55	315.348	4	↓ MOL2 SDF SMILES Flexibase

65168631

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-methoxy-propan-1-one 1-[2-(4-fluorophenyl)-7,8-dihydr…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.93	6.97	-11.58	0	5	0	55	315.348	4	↓ MOL2 SDF SMILES Flexibase

65168644

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-methyl-butan-1-one 1-[2-(4-fluorophenyl)-7,8-dihydr…

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)	3.33	9.26	-11.45	0	4	0	46	313.376	3	↓ MOL2 SDF SMILES Flexibase

65168650

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3,3-dimethyl-butan-1-one 1-[2-(4-fluorophenyl)-7,8-dihydr…

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)	3.65	9.79	-10.56	0	4	0	46	327.403	3	↓ MOL2 SDF SMILES Flexibase

65168689

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2,2-dimethyl-butan-1-one 1-[2-(4-fluorophenyl)-7,8-dihydr…

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)	3.71	9.07	-11.37	0	4	0	46	327.403	3	↓ MOL2 SDF SMILES Flexibase

65168694

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2,2-dimethyl-propan-1-one 1-[2-(4-fluorophenyl)-7,8-dihydr…

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)	3.38	8.55	-11.19	0	4	0	46	313.376	2	↓ MOL2 SDF SMILES Flexibase

65168714

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethoxy-1-(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone 2-ethoxy-1-(2-phenyl-7,8-dihydro…

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)	1.87	8.19	-16.02	0	5	0	55	297.358	4	↓ MOL2 SDF SMILES Flexibase

65168726

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methoxy-1-(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)propan-1-one 3-methoxy-1-(2-phenyl-7,8-dihydr…

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)	1.77	6.92	-12.43	0	5	0	55	297.358	4	↓ MOL2 SDF SMILES Flexibase

65168743

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,3-dimethyl-1-(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)butan-1-one 3,3-dimethyl-1-(2-phenyl-7,8-dih…

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)	3.49	9.74	-11.43	0	4	0	46	309.413	3	↓ MOL2 SDF SMILES Flexibase

65168809

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-tert-butyl-2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide N-tert-butyl-2-(4-methoxyphenyl)…

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)	3.64	7.28	-12.78	1	6	0	67	340.427	3	↓ MOL2 SDF SMILES Flexibase

65168814

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide N-ethyl-2-(4-methoxyphenyl)-7,8-…

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	6.09	-13.66	1	6	0	67	312.373	3	↓ MOL2 SDF SMILES Flexibase

65168856

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-methoxyphenyl)-N-[(1R)-1-methylpropyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide 2-(4-methoxyphenyl)-N-[(1R)-1-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)	3.66	7.87	-13.43	1	6	0	67	340.427	4	↓ MOL2 SDF SMILES Flexibase

65168857

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-methoxyphenyl)-N-[(1S)-1-methylpropyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide 2-(4-methoxyphenyl)-N-[(1S)-1-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)	3.66	7.86	-13.42	1	6	0	67	340.427	4	↓ MOL2 SDF SMILES Flexibase

65168865

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-chlorophenyl)-N-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide 2-(4-chlorophenyl)-N-ethyl-7,8-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)	3.45	7.32	-12.01	1	5	0	58	316.792	2	↓ MOL2 SDF SMILES Flexibase

65168895

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide N-ethyl-2-(4-fluorophenyl)-7,8-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)	2.93	6.85	-12.32	1	5	0	58	300.337	2	↓ MOL2 SDF SMILES Flexibase

65168938

Analogs

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)	2.80	7.89	-11.12	1	7	0	84	358.373	5	↓ MOL2 SDF SMILES Flexibase

65168940

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-fluorophenyl)-N-(3-methoxypropyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide 2-(4-fluorophenyl)-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)	2.81	6.68	-12.73	1	6	0	67	344.39	5	↓ MOL2 SDF SMILES Flexibase

65168961

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-fluorophenyl)-N-[(1R)-1-methylpropyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide 2-(4-fluorophenyl)-N-[(1R)-1-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)	3.77	8.63	-12.02	1	5	0	58	328.391	3	↓ MOL2 SDF SMILES Flexibase

65168962

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-fluorophenyl)-N-[(1S)-1-methylpropyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide 2-(4-fluorophenyl)-N-[(1S)-1-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)	3.77	8.62	-12.03	1	5	0	58	328.391	3	↓ MOL2 SDF SMILES Flexibase

65168965

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-fluorophenyl)-N-isobutyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide 2-(4-fluorophenyl)-N-isobutyl-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)	3.68	8.36	-11.88	1	5	0	58	328.391	3	↓ MOL2 SDF SMILES Flexibase

65169010

Analogs

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)	2.63	7.84	-12.07	1	7	0	84	340.383	5	↓ MOL2 SDF SMILES Flexibase

65169012

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-methoxypropyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide N-(3-methoxypropyl)-2-phenyl-7,8…

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)	2.65	6.63	-13.5	1	6	0	67	326.4	5	↓ MOL2 SDF SMILES Flexibase

65169013

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)	2.22	7.57	-19.55	1	7	0	84	340.383	5	↓ MOL2 SDF SMILES Flexibase

65169026

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-phenyl-N-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide 2-phenyl-N-propyl-7,8-dihydro-5H…

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)	3.27	7.57	-13.07	1	5	0	58	296.374	3	↓ MOL2 SDF SMILES Flexibase

65169040

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-isobutyl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide N-isobutyl-2-phenyl-7,8-dihydro-…

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)	3.52	8.31	-12.71	1	5	0	58	310.401	3	↓ MOL2 SDF SMILES Flexibase

65169058

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-ethylsulfonyl-2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine 6-ethylsulfonyl-2-(4-methoxyphen…

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)	2.00	4.8	-13.17	0	6	0	72	333.413	4	↓ MOL2 SDF SMILES Flexibase

65169066

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-butylsulfonyl-2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine 6-butylsulfonyl-2-(4-methoxyphen…

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)	3.06	6.38	-13.08	0	6	0	72	361.467	6	↓ MOL2 SDF SMILES Flexibase

65169118

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-chlorophenyl)-6-ethylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine 2-(4-chlorophenyl)-6-ethylsulfon…

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)	2.62	6.02	-11.75	0	5	0	63	337.832	3	↓ MOL2 SDF SMILES Flexibase

65169129

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-butylsulfonyl-2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine 6-butylsulfonyl-2-(4-chloropheny…

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)	3.68	7.61	-11.59	0	5	0	63	365.886	5	↓ MOL2 SDF SMILES Flexibase

65169184

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-ethylsulfonyl-2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine 6-ethylsulfonyl-2-(4-fluoropheny…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.11	5.56	-11.98	0	5	0	63	321.377	3	↓ MOL2 SDF SMILES Flexibase

65169196

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-butylsulfonyl-2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine 6-butylsulfonyl-2-(4-fluoropheny…

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)	3.17	7.14	-11.86	0	5	0	63	349.431	5	↓ MOL2 SDF SMILES Flexibase

65169267

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-ethylsulfonyl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine 6-ethylsulfonyl-2-phenyl-7,8-dih…

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	5.51	-12.75	0	5	0	63	303.387	3	↓ MOL2 SDF SMILES Flexibase

65169278

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-butylsulfonyl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine 6-butylsulfonyl-2-phenyl-7,8-dih…

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)	3.00	7.09	-12.53	0	5	0	63	331.441	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 293075
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 = 293075 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=293075&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": "293075"        

    });
</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