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

36877239

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-methoxyethyl)-N-[(3-methoxyphenyl)methyl]-N-methyl-6-oxo-pyridazine-3-carboxamide 1-(2-methoxyethyl)-N-[(3-methoxy…

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	5.46	-12.61	0	7	0	74	331.372	7	↓ MOL2 SDF SMILES Flexibase

36877679

Analogs

36877681

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(4-butylphenyl)-2-methyl-propyl]-1-(2-methoxyethyl)-6-oxo-pyridazine-3-carboxamide N-[(1R)-1-(4-butylphenyl)-2-meth…

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)	3.74	8.64	-7.69	1	6	0	73	385.508	10	↓ MOL2 SDF SMILES Flexibase

36877681

Analogs

36877679

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(4-butylphenyl)-2-methyl-propyl]-1-(2-methoxyethyl)-6-oxo-pyridazine-3-carboxamide N-[(1S)-1-(4-butylphenyl)-2-meth…

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)	3.74	8.64	-7.82	1	6	0	73	385.508	10	↓ MOL2 SDF SMILES Flexibase

36965650

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(1-methyl-6-oxo-pyridazine-3-carbonyl)amino]methyl]benzoic 4-[[(1-methyl-6-oxo-pyridazine-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)	0.49	4.32	-51.93	1	7	-1	104	286.267	4	↓ MOL2 SDF SMILES Flexibase

23040667

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2,4-dimethylphenyl)methyl]-1-(2-methoxyethyl)-N-methyl-6-oxo-pyridazine-3-carboxamide N-[(2,4-dimethylphenyl)methyl]-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)	1.64	7.88	-9.62	0	6	0	64	329.4	6	↓ MOL2 SDF SMILES Flexibase

23042867

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3-methoxyphenyl)methyl]-N-methyl-6-oxo-1-propyl-pyridazine-3-carboxamide N-[(3-methoxyphenyl)methyl]-N-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)	1.74	7.17	-10.3	0	6	0	64	315.373	6	↓ MOL2 SDF SMILES Flexibase

54691963

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-amino-2-oxo-1-phenyl-ethyl]-1-butyl-6-oxo-pyridazine-3-carboxamide N-[(1S)-2-amino-2-oxo-1-phenyl-e…

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)	0.94	3.23	-13.72	3	7	0	107	328.372	7	↓ MOL2 SDF SMILES Flexibase

54691966

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-amino-2-oxo-1-phenyl-ethyl]-1-butyl-6-oxo-pyridazine-3-carboxamide N-[(1R)-2-amino-2-oxo-1-phenyl-e…

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)	0.94	3.24	-13.62	3	7	0	107	328.372	7	↓ MOL2 SDF SMILES Flexibase

23923301

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-(difluoromethoxy)-3-methoxy-phenyl]methyl]-6-oxo-1-propyl-pyridazine-3-carboxamide N-[[4-(difluoromethoxy)-3-methox…

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	4.88	-13.11	1	7	0	82	367.352	8	↓ MOL2 SDF SMILES Flexibase

23924099

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(2-methoxy-5-methyl-phenyl)ethyl]-6-oxo-1-propyl-pyridazine-3-carboxamide N-[(1S)-1-(2-methoxy-5-methyl-ph…

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	6.34	-11.01	1	6	0	73	329.4	6	↓ MOL2 SDF SMILES Flexibase

23924102

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(2-methoxy-5-methyl-phenyl)ethyl]-6-oxo-1-propyl-pyridazine-3-carboxamide N-[(1R)-1-(2-methoxy-5-methyl-ph…

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	6.31	-10.92	1	6	0	73	329.4	6	↓ MOL2 SDF SMILES Flexibase

57277847

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-3-(dimethylamino)-3-oxo-1-phenyl-propyl]-6-oxo-1-propyl-pyridazine-3-carboxamide N-[(1S)-3-(dimethylamino)-3-oxo-…

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	7.03	-15.4	1	7	0	84	356.426	7	↓ MOL2 SDF SMILES Flexibase

57277848

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-3-(dimethylamino)-3-oxo-1-phenyl-propyl]-6-oxo-1-propyl-pyridazine-3-carboxamide N-[(1R)-3-(dimethylamino)-3-oxo-…

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	7.02	-15.47	1	7	0	84	356.426	7	↓ MOL2 SDF SMILES Flexibase

60532142

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-(difluoromethoxy)phenyl]methyl]-6-oxo-1-propyl-pyridazine-3-carboxamide 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)	2.08	4.98	-10.94	1	6	0	73	337.326	7	↓ MOL2 SDF SMILES Flexibase

52397159

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-butyl-N-[[2-(diethylaminomethyl)phenyl]methyl]-6-oxo-pyridazine-3-carboxamide 1-butyl-N-[[2-(diethylaminomethy…

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)	2.53	9.65	-39.71	2	6	1	68	371.505	10	↓ MOL2 SDF SMILES Flexibase

14573371

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-1-methyl-6-oxo-pyridazine-3-carboxamide N-[(1R)-1-(2,5-dimethylphenyl)et…

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)	1.97	5.8	-8.61	1	5	0	64	285.347	3	↓ MOL2 SDF SMILES Flexibase

14573372

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-1-methyl-6-oxo-pyridazine-3-carboxamide N-[(1S)-1-(2,5-dimethylphenyl)et…

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)	1.97	5.77	-8.62	1	5	0	64	285.347	3	↓ MOL2 SDF SMILES Flexibase

14575760

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(2,4-dichloro-5-fluoro-phenyl)ethyl]-1-methyl-6-oxo-pyridazine-3-carboxamide N-[(1R)-1-(2,4-dichloro-5-fluoro…

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)	2.52	5.57	-8.65	1	5	0	64	344.173	3	↓ MOL2 SDF SMILES Flexibase

14575761

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(2,4-dichloro-5-fluoro-phenyl)ethyl]-1-methyl-6-oxo-pyridazine-3-carboxamide N-[(1S)-1-(2,4-dichloro-5-fluoro…

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)	2.52	5.61	-8.76	1	5	0	64	344.173	3	↓ MOL2 SDF SMILES Flexibase

62888970

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-allyl-N-[(3-nitrophenyl)methyl]-6-oxo-1-propyl-pyridazine-3-carboxamide N-allyl-N-[(3-nitrophenyl)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)	2.29	10.13	-11.42	0	8	0	101	356.382	8	↓ MOL2 SDF SMILES Flexibase

69177944

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(4-bromophenyl)ethyl]-6-oxo-1-propyl-pyridazine-3-carboxamide N-[(1S)-1-(4-bromophenyl)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)	2.83	6.86	-8.49	1	5	0	64	364.243	5	↓ MOL2 SDF SMILES Flexibase

69177948

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(4-bromophenyl)ethyl]-6-oxo-1-propyl-pyridazine-3-carboxamide N-[(1R)-1-(4-bromophenyl)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)	2.83	6.86	-8.45	1	5	0	64	364.243	5	↓ MOL2 SDF SMILES Flexibase

69178669

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(3,4-dichlorophenyl)butyl]-1-methyl-6-oxo-pyridazine-3-carboxamide N-[(1R)-1-(3,4-dichlorophenyl)bu…

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)	2.58	6.91	-9.57	1	5	0	64	354.237	5	↓ MOL2 SDF SMILES Flexibase

69230755

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(2,4-difluorophenyl)ethyl]-1-methyl-6-oxo-pyridazine-3-carboxamide N-[(1S)-1-(2,4-difluorophenyl)et…

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)	1.40	4.73	-10.44	1	5	0	64	293.273	3	↓ MOL2 SDF SMILES Flexibase

69230756

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(2,4-difluorophenyl)ethyl]-1-methyl-6-oxo-pyridazine-3-carboxamide N-[(1R)-1-(2,4-difluorophenyl)et…

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)	1.40	4.71	-10.31	1	5	0	64	293.273	3	↓ MOL2 SDF SMILES Flexibase

63000099

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-hydroxy-1-phenyl-ethyl]-1-methyl-6-oxo-pyridazine-3-carboxamide N-[(1R)-2-hydroxy-1-phenyl-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)	0.13	1.41	-9.43	2	6	0	84	273.292	4	↓ MOL2 SDF SMILES Flexibase

63000100

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-hydroxy-1-phenyl-ethyl]-1-methyl-6-oxo-pyridazine-3-carboxamide N-[(1S)-2-hydroxy-1-phenyl-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)	0.13	1.41	-9.39	2	6	0	84	273.292	4	↓ MOL2 SDF SMILES Flexibase

69485501

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[1-(2,6-dichlorophenyl)-1-methyl-ethyl]-1-methyl-6-oxo-pyridazine-3-carboxamide N-[1-(2,6-dichlorophenyl)-1-meth…

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)	2.85	5.32	-8.72	1	5	0	64	340.21	3	↓ MOL2 SDF SMILES Flexibase

69486893

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-N-(2-diethylaminoethyl)-1-methyl-6-oxo-pyridazine-3-carboxamide N-benzyl-N-(2-diethylaminoethyl)…

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)	1.61	9.71	-49.08	1	6	1	60	343.451	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.61	7.95	-8.31	0	6	0	58	342.443	8	↓ MOL2 SDF SMILES Flexibase

69520740

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-chlorophenyl)methyl]-N-ethyl-1-methyl-6-oxo-pyridazine-3-carboxamide N-[(2-chlorophenyl)methyl]-N-eth…

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)	1.83	7.62	-10.62	0	5	0	55	305.765	4	↓ MOL2 SDF SMILES Flexibase

69711867

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-N-[(1S)-3-methyl-1-phenyl-butyl]-6-oxo-pyridazine-3-carboxamide 1-methyl-N-[(1S)-3-methyl-1-phen…

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)	1.52	6.43	-8.28	1	5	0	64	299.374	5	↓ MOL2 SDF SMILES Flexibase

69711870

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-N-[(1R)-3-methyl-1-phenyl-butyl]-6-oxo-pyridazine-3-carboxamide 1-methyl-N-[(1R)-3-methyl-1-phen…

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)	1.52	6.44	-7.75	1	5	0	64	299.374	5	↓ MOL2 SDF SMILES Flexibase

69772462

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-hydroxyphenyl)methyl]-1-(2-methoxyethyl)-6-oxo-N-propyl-pyridazine-3-carboxamide N-[(2-hydroxyphenyl)methyl]-1-(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)	1.63	6.59	-10.12	1	7	0	85	345.399	8	↓ MOL2 SDF SMILES Flexibase

69772586

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-butyl-N-[(4-dimethylaminophenyl)methyl]-N-methyl-6-oxo-pyridazine-3-carboxamide 1-butyl-N-[(4-dimethylaminopheny…

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	8.97	-10.73	0	6	0	58	342.443	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.37	9.75	-83.55	1	6	0	60	343.451	7	↓ MOL2 SDF SMILES Flexibase

69790463

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-methoxyethyl)-N-[(1R)-2-methyl-1-(o-tolyl)propyl]-6-oxo-pyridazine-3-carboxamide 1-(2-methoxyethyl)-N-[(1R)-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)	2.27	5.94	-7.82	1	6	0	73	343.427	7	↓ MOL2 SDF SMILES Flexibase

69790464

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-methoxyethyl)-N-[(1S)-2-methyl-1-(o-tolyl)propyl]-6-oxo-pyridazine-3-carboxamide 1-(2-methoxyethyl)-N-[(1S)-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)	2.27	6.3	-8.16	1	6	0	73	343.427	7	↓ MOL2 SDF SMILES Flexibase

69969228

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[(1-ethyl-6-oxo-pyridazine-3-carbonyl)amino]-3-phenyl-propanoic (3S)-3-[(1-ethyl-6-oxo-pyridazin…

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)	-0.24	6.6	-48.28	1	7	-1	104	314.321	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	-0.24	4.62	-13.9	2	7	0	101	315.329	6	↓ MOL2 SDF SMILES Flexibase

69969230

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[(1-ethyl-6-oxo-pyridazine-3-carbonyl)amino]-3-phenyl-propanoic (3R)-3-[(1-ethyl-6-oxo-pyridazin…

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)	-0.24	6.72	-48.24	1	7	-1	104	314.321	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	-0.24	4.72	-13.83	2	7	0	101	315.329	6	↓ MOL2 SDF SMILES Flexibase

40553653

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(5-fluoro-2-methoxy-phenyl)ethyl]-6-oxo-1-propyl-pyridazine-3-carboxamide N-[(1S)-1-(5-fluoro-2-methoxy-ph…

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)	2.17	5.72	-9.56	1	6	0	73	333.363	6	↓ MOL2 SDF SMILES Flexibase

40553654

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(5-fluoro-2-methoxy-phenyl)ethyl]-6-oxo-1-propyl-pyridazine-3-carboxamide N-[(1R)-1-(5-fluoro-2-methoxy-ph…

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)	2.17	5.71	-9.53	1	6	0	73	333.363	6	↓ MOL2 SDF SMILES Flexibase

40553987

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]-6-oxo-1-propyl-pyridazine-3-carboxamide N-ethyl-N-[(1S)-1-(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)	2.81	9.61	-10.55	0	5	0	55	331.391	6	↓ MOL2 SDF SMILES Flexibase

40553988

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-6-oxo-1-propyl-pyridazine-3-carboxamide N-ethyl-N-[(1R)-1-(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)	2.81	9.73	-9.56	0	5	0	55	331.391	6	↓ MOL2 SDF SMILES Flexibase

48948754

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-N-[(4-methylsulfanylphenyl)methyl]-6-oxo-pyridazine-3-carboxamide 1-methyl-N-[(4-methylsulfanylphe…

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	4.77	-9.46	1	5	0	64	289.36	4	↓ MOL2 SDF SMILES Flexibase

49314942

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-N-(1-methyl-1-phenyl-ethyl)-6-oxo-pyridazine-3-carboxamide 1-methyl-N-(1-methyl-1-phenyl-et…

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	5.01	-8.11	1	5	0	64	271.32	3	↓ MOL2 SDF SMILES Flexibase

49315162

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-bromo-2-chloro-phenyl)methyl]-1-methyl-6-oxo-pyridazine-3-carboxamide N-[(4-bromo-2-chloro-phenyl)meth…

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	4.78	-8.83	1	5	0	64	356.607	3	↓ MOL2 SDF SMILES Flexibase

37716644

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1-methyl-6-oxo-pyridazine-3-carbonyl)amino]methyl]benzoic 3-[[(1-methyl-6-oxo-pyridazine-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)	0.47	4.31	-53.12	1	7	-1	104	286.267	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 27951
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 = 27951 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=27951&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": "27951"        

    });
</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