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

40332856

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-aminopyrazol-1-yl)-N-[(1S)-1-(2-hydroxyphenyl)ethyl]-N-methyl-acetamide 2-(4-aminopyrazol-1-yl)-N-[(1S)-…

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	2.19	-15.01	3	6	0	84	274.324	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.05	2.93	-60.57	2	6	-1	87	273.316	4	↓ MOL2 SDF SMILES Flexibase

40332857

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-aminopyrazol-1-yl)-N-[(1R)-1-(2-hydroxyphenyl)ethyl]-N-methyl-acetamide 2-(4-aminopyrazol-1-yl)-N-[(1R)-…

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	2.2	-17	3	6	0	84	274.324	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.05	2.94	-65.31	2	6	-1	87	273.316	4	↓ MOL2 SDF SMILES Flexibase

40333002

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-aminopyrazol-1-yl)-N-ethyl-N-[(1S)-1-(3-hydroxyphenyl)ethyl]acetamide 2-(4-aminopyrazol-1-yl)-N-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)	0.98	3.33	-14.89	3	6	0	84	288.351	5	↓ MOL2 SDF SMILES Flexibase

40333003

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-aminopyrazol-1-yl)-N-ethyl-N-[(1R)-1-(3-hydroxyphenyl)ethyl]acetamide 2-(4-aminopyrazol-1-yl)-N-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)	0.98	3	-18.23	3	6	0	84	288.351	5	↓ MOL2 SDF SMILES Flexibase

40333251

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-aminopyrazol-1-yl)-N-[(3-methoxyphenyl)methyl]-N-methyl-acetamide 2-(4-aminopyrazol-1-yl)-N-[(3-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)	0.58	3.96	-19.05	2	6	0	73	274.324	5	↓ MOL2 SDF SMILES Flexibase

40333293

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-aminopyrazol-1-yl)-N-[(4-ethoxyphenyl)methyl]-N-methyl-acetamide 2-(4-aminopyrazol-1-yl)-N-[(4-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)	0.98	4.89	-16.06	2	6	0	73	288.351	6	↓ MOL2 SDF SMILES Flexibase

40333308

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-amino-3,5-dimethyl-pyrazol-1-yl)-N-[(2-bromophenyl)methyl]-N-methyl-acetamide 2-(4-amino-3,5-dimethyl-pyrazol-…

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)	1.75	6.9	-15.47	2	5	0	64	351.248	4	↓ MOL2 SDF SMILES Flexibase

40333309

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-aminopyrazol-1-yl)-N-[(2-bromophenyl)methyl]-N-methyl-acetamide 2-(4-aminopyrazol-1-yl)-N-[(2-br…

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)	1.31	5.83	-15.76	2	5	0	64	323.194	4	↓ MOL2 SDF SMILES Flexibase

40333360

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-aminopyrazol-1-yl)-N-benzyl-N-(2-methoxyethyl)acetamide 2-(4-aminopyrazol-1-yl)-N-benzyl…

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)	0.53	5	-16	2	6	0	73	288.351	7	↓ MOL2 SDF SMILES Flexibase

40333467

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-aminopyrazol-1-yl)-N-[(2,3-dichlorophenyl)methyl]-N-methyl-acetamide 2-(4-aminopyrazol-1-yl)-N-[(2,3-…

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)	1.81	6.2	-16.42	2	5	0	64	313.188	4	↓ MOL2 SDF SMILES Flexibase

40333484

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-aminopyrazol-1-yl)-N-[(5-bromo-2-methoxy-phenyl)methyl]-N-methyl-acetamide 2-(4-aminopyrazol-1-yl)-N-[(5-br…

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)	1.34	5.88	-13.17	2	6	0	73	353.22	5	↓ MOL2 SDF SMILES Flexibase

40333580

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-aminopyrazol-1-yl)-N-[(2-chloro-6-fluoro-phenyl)methyl]-N-methyl-acetamide 2-(4-aminopyrazol-1-yl)-N-[(2-ch…

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	5	-12.9	2	5	0	64	296.733	4	↓ MOL2 SDF SMILES Flexibase

40333972

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-aminopyrazol-1-yl)-N-benzyl-N-[(1R)-1-methylpropyl]acetamide 2-(4-aminopyrazol-1-yl)-N-benzyl…

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)	1.76	6.77	-13.79	2	5	0	64	286.379	6	↓ MOL2 SDF SMILES Flexibase

40333973

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-aminopyrazol-1-yl)-N-benzyl-N-[(1S)-1-methylpropyl]acetamide 2-(4-aminopyrazol-1-yl)-N-benzyl…

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)	1.76	6.86	-13.99	2	5	0	64	286.379	6	↓ MOL2 SDF SMILES Flexibase

40333998

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-aminopyrazol-1-yl)-N-propyl-N-(p-tolylmethyl)acetamide 2-(4-aminopyrazol-1-yl)-N-propyl…

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)	1.88	7.01	-14.38	2	5	0	64	286.379	6	↓ MOL2 SDF SMILES Flexibase

40334513

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-aminopyrazol-1-yl)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide 2-(4-aminopyrazol-1-yl)-N-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)	1.06	5.65	-17.75	2	5	0	64	276.315	5	↓ MOL2 SDF SMILES Flexibase

40334536

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-aminopyrazol-1-yl)-N-[(4-dimethylaminophenyl)methyl]-N-methyl-acetamide 2-(4-aminopyrazol-1-yl)-N-[(4-di…

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)	0.65	5.1	-16.36	2	6	0	67	287.367	5	↓ MOL2 SDF SMILES Flexibase

40335667

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-amino-3,5-dimethyl-pyrazol-1-yl)-N-[(1S)-1-(3-bromophenyl)ethyl]acetamide 2-(4-amino-3,5-dimethyl-pyrazol-…

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	5.14	-14.97	3	5	0	73	351.248	4	↓ MOL2 SDF SMILES Flexibase

40335668

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-amino-3,5-dimethyl-pyrazol-1-yl)-N-[(1R)-1-(3-bromophenyl)ethyl]acetamide 2-(4-amino-3,5-dimethyl-pyrazol-…

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	5.14	-15.57	3	5	0	73	351.248	4	↓ MOL2 SDF SMILES Flexibase

40335669

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-aminopyrazol-1-yl)-N-[(1S)-1-(3-bromophenyl)ethyl]acetamide 2-(4-aminopyrazol-1-yl)-N-[(1S)-…

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)	1.65	4.05	-15.33	3	5	0	73	323.194	4	↓ MOL2 SDF SMILES Flexibase

40335670

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-aminopyrazol-1-yl)-N-[(1R)-1-(3-bromophenyl)ethyl]acetamide 2-(4-aminopyrazol-1-yl)-N-[(1R)-…

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)	1.65	4.05	-15.75	3	5	0	73	323.194	4	↓ MOL2 SDF SMILES Flexibase

40336046

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-aminopyrazol-1-yl)-N-[[3-(methoxymethyl)phenyl]methyl]acetamide 2-(4-aminopyrazol-1-yl)-N-[[3-(m…

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)	0.23	2.31	-14.74	3	6	0	82	274.324	6	↓ MOL2 SDF SMILES Flexibase

40336088

Analogs

40306963
40306965

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-aminopyrazol-1-yl)-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide 2-(4-aminopyrazol-1-yl)-N-[(1R)-…

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	4.88	-14.39	3	5	0	73	272.352	5	↓ MOL2 SDF SMILES Flexibase

40336089

Analogs

40306963
40306965

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-aminopyrazol-1-yl)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide 2-(4-aminopyrazol-1-yl)-N-[(1S)-…

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	4.88	-14.08	3	5	0	73	272.352	5	↓ MOL2 SDF SMILES Flexibase

40336340

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-amino-3,5-dimethyl-pyrazol-1-yl)-N-[(2-bromo-5-fluoro-phenyl)methyl]acetamide 2-(4-amino-3,5-dimethyl-pyrazol-…

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)	1.65	4.25	-13.34	3	5	0	73	355.211	4	↓ MOL2 SDF SMILES Flexibase

40336342

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-aminopyrazol-1-yl)-N-[(2-bromo-5-fluoro-phenyl)methyl]acetamide 2-(4-aminopyrazol-1-yl)-N-[(2-br…

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)	1.20	3.16	-13.5	3	5	0	73	327.157	4	↓ MOL2 SDF SMILES Flexibase

40337291

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-amino-3,5-dimethyl-pyrazol-1-yl)-N-[(3-bromophenyl)methyl]-N-methyl-acetamide 2-(4-amino-3,5-dimethyl-pyrazol-…

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	6.36	-14	2	5	0	64	351.248	4	↓ MOL2 SDF SMILES Flexibase

40337293

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-aminopyrazol-1-yl)-N-[(3-bromophenyl)methyl]-N-methyl-acetamide 2-(4-aminopyrazol-1-yl)-N-[(3-br…

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)	1.33	5.28	-16.91	2	5	0	64	323.194	4	↓ MOL2 SDF SMILES Flexibase

40338234

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-aminopyrazol-1-yl)-N-[(1S)-1-(3-chlorophenyl)ethyl]-N-methyl-acetamide 2-(4-aminopyrazol-1-yl)-N-[(1S)-…

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)	1.76	6.13	-14.42	2	5	0	64	292.77	4	↓ MOL2 SDF SMILES Flexibase

40338236

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-aminopyrazol-1-yl)-N-[(1R)-1-(3-chlorophenyl)ethyl]-N-methyl-acetamide 2-(4-aminopyrazol-1-yl)-N-[(1R)-…

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)	1.76	5.36	-14.56	2	5	0	64	292.77	4	↓ MOL2 SDF SMILES Flexibase

40338706

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-aminopyrazol-1-yl)-N-benzyl-N-(cyanomethyl)acetamide 2-(4-aminopyrazol-1-yl)-N-benzyl…

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)	0.33	5.39	-21.5	2	6	0	88	269.308	5	↓ MOL2 SDF SMILES Flexibase

48629015

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(4-bromophenyl)ethyl]-2-(4-methylpyrazol-1-yl)acetamide 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)	2.64	6.87	-14.42	1	4	0	47	322.206	4	↓ MOL2 SDF SMILES Flexibase

48629017

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(4-bromophenyl)ethyl]-2-(4-methylpyrazol-1-yl)acetamide 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)	2.64	6.87	-14.8	1	4	0	47	322.206	4	↓ MOL2 SDF SMILES Flexibase

20118800

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3,5-dimethylpyrazol-1-yl)-N-[(3-methoxyphenyl)methyl]acetamide 2-(3,5-dimethylpyrazol-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)	1.37	5	-15.89	1	5	0	56	273.336	5	↓ MOL2 SDF SMILES Flexibase

71524474

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-ethyl-3,5-dimethyl-pyrazol-1-yl)-N-[(1S)-1-(3-fluoro-4-hydroxy-phenyl)ethyl]acetamide 2-(4-ethyl-3,5-dimethyl-pyrazol-…

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)	2.61	5.18	-17.79	2	5	0	67	319.38	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.61	5.94	-54.68	1	5	-1	70	318.372	5	↓ MOL2 SDF SMILES Flexibase

71524477

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-ethyl-3,5-dimethyl-pyrazol-1-yl)-N-[(1R)-1-(3-fluoro-4-hydroxy-phenyl)ethyl]acetamide 2-(4-ethyl-3,5-dimethyl-pyrazol-…

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)	2.61	5.17	-17.04	2	5	0	67	319.38	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.61	5.93	-52.81	1	5	-1	70	318.372	5	↓ MOL2 SDF SMILES Flexibase

52878811

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-phenyl-2-[[(2S)-2-pyrazol-1-ylpropanoyl]amino]propanoic (2S)-2-phenyl-2-[[(2S)-2-pyrazol…

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)	1.13	7.13	-58.38	1	6	-1	87	286.311	5	↓ MOL2 SDF SMILES Flexibase

52878814

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-phenyl-2-[[(2R)-2-pyrazol-1-ylpropanoyl]amino]propanoic (2S)-2-phenyl-2-[[(2R)-2-pyrazol…

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)	1.13	7.13	-62.96	1	6	-1	87	286.311	5	↓ MOL2 SDF SMILES Flexibase

52878816

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-phenyl-2-[[(2S)-2-pyrazol-1-ylpropanoyl]amino]propanoic (2R)-2-phenyl-2-[[(2S)-2-pyrazol…

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)	1.13	7.13	-62.91	1	6	-1	87	286.311	5	↓ MOL2 SDF SMILES Flexibase

52878818

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-phenyl-2-[[(2R)-2-pyrazol-1-ylpropanoyl]amino]propanoic (2R)-2-phenyl-2-[[(2R)-2-pyrazol…

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)	1.13	7.13	-58.36	1	6	-1	87	286.311	5	↓ MOL2 SDF SMILES Flexibase

52878870

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-phenyl-2-[(2-pyrazol-1-ylacetyl)amino]propanoic (2R)-2-phenyl-2-[(2-pyrazol-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)	0.77	6.63	-66.12	1	6	-1	87	272.284	5	↓ MOL2 SDF SMILES Flexibase

52878872

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-phenyl-2-[(2-pyrazol-1-ylacetyl)amino]propanoic (2S)-2-phenyl-2-[(2-pyrazol-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)	0.77	6.62	-62.25	1	6	-1	87	272.284	5	↓ MOL2 SDF SMILES Flexibase

52898606

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-(2-aminoethyl)phenyl]methyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide N-[[4-(2-aminoethyl)phenyl]methy…

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)	0.32	4.57	-59.48	4	5	1	75	287.387	6	↓ MOL2 SDF SMILES Flexibase

52899015

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[[4-(2-aminoethyl)phenyl]methyl]-2-pyrazol-1-yl-propanamide (2S)-N-[[4-(2-aminoethyl)phenyl]…

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	4.02	-58.15	4	5	1	75	273.36	6	↓ MOL2 SDF SMILES Flexibase

52899017

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[[4-(2-aminoethyl)phenyl]methyl]-2-pyrazol-1-yl-propanamide (2R)-N-[[4-(2-aminoethyl)phenyl]…

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	4.01	-58.1	4	5	1	75	273.36	6	↓ MOL2 SDF SMILES Flexibase

52899033

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-(2-aminoethyl)phenyl]methyl]-2-pyrazol-1-yl-acetamide N-[[4-(2-aminoethyl)phenyl]methy…

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)	-0.12	3.55	-60.35	4	5	1	75	259.333	6	↓ MOL2 SDF SMILES Flexibase

53306941

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide N-[(1S)-1-(4-fluorophenyl)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)	2.99	8.76	-17.95	0	4	0	38	329.297	5	↓ MOL2 SDF SMILES Flexibase

53306944

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(4-fluorophenyl)ethyl]-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide N-[(1R)-1-(4-fluorophenyl)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)	2.99	7.99	-19.75	0	4	0	38	329.297	5	↓ MOL2 SDF SMILES Flexibase

17970323

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide 2-(3,5-dimethyl-4-nitro-pyrazol-…

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)	1.79	6.79	-18.75	1	8	0	102	332.36	6	↓ MOL2 SDF SMILES Flexibase

17970325

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide 2-(3,5-dimethyl-4-nitro-pyrazol-…

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)	1.79	6.8	-18.4	1	8	0	102	332.36	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 14756
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 = 14756 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=14756&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": "14756"        

    });
</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