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

62028771

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-N-[(1S)-1-(3-chlorophenyl)ethyl]-N-methyl-pyrazin-2-amine 6-chloro-N-[(1S)-1-(3-chlorophen…

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)	3.87	7.72	-4.83	0	3	0	29	282.174	3	↓ MOL2 SDF SMILES Flexibase

62028772

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-N-[(1R)-1-(3-chlorophenyl)ethyl]-N-methyl-pyrazin-2-amine 6-chloro-N-[(1R)-1-(3-chlorophen…

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)	3.87	7.53	-5.4	0	3	0	29	282.174	3	↓ MOL2 SDF SMILES Flexibase

62028773

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N-[(1S)-1-(3-chlorophenyl)ethyl]-N-methyl-pyrazin-2-amine 3-chloro-N-[(1S)-1-(3-chlorophen…

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)	3.87	7.44	-6.73	0	3	0	29	282.174	3	↓ MOL2 SDF SMILES Flexibase

62028774

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N-[(1R)-1-(3-chlorophenyl)ethyl]-N-methyl-pyrazin-2-amine 3-chloro-N-[(1R)-1-(3-chlorophen…

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)	3.87	7.58	-6.23	0	3	0	29	282.174	3	↓ MOL2 SDF SMILES Flexibase

62028808

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-N-[(1S)-1-(2-fluorophenyl)ethyl]-N-methyl-pyrazin-2-amine 6-chloro-N-[(1S)-1-(2-fluorophen…

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	7.23	-4.6	0	3	0	29	265.719	3	↓ MOL2 SDF SMILES Flexibase

62028809

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]-N-methyl-pyrazin-2-amine 6-chloro-N-[(1R)-1-(2-fluorophen…

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	7.14	-7.33	0	3	0	29	265.719	3	↓ MOL2 SDF SMILES Flexibase

62028810

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N-[(1S)-1-(2-fluorophenyl)ethyl]-N-methyl-pyrazin-2-amine 3-chloro-N-[(1S)-1-(2-fluorophen…

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	7.35	-7.92	0	3	0	29	265.719	3	↓ MOL2 SDF SMILES Flexibase

62028811

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]-N-methyl-pyrazin-2-amine 3-chloro-N-[(1R)-1-(2-fluorophen…

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	7.29	-8.2	0	3	0	29	265.719	3	↓ MOL2 SDF SMILES Flexibase

52880006

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-phenyl-2-(pyrazin-2-ylamino)propanoic (2R)-2-phenyl-2-(pyrazin-2-ylami…

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)	1.49	4.5	-47.97	1	5	-1	78	242.258	4	↓ MOL2 SDF SMILES Flexibase

52880008

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-phenyl-2-(pyrazin-2-ylamino)propanoic (2S)-2-phenyl-2-(pyrazin-2-ylami…

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)	1.49	4.35	-47.97	1	5	-1	78	242.258	4	↓ MOL2 SDF SMILES Flexibase

52899361

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-(2-aminoethyl)phenyl]methyl]-3,6-dimethyl-pyrazin-2-amine 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)	1.04	4.79	-50.78	4	4	1	65	257.361	5	↓ MOL2 SDF SMILES Flexibase

52899400

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-(2-aminoethyl)phenyl]methyl]pyrazin-2-amine 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)	0.60	3.16	-49.12	4	4	1	65	229.307	5	↓ MOL2 SDF SMILES Flexibase

52925948

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3-aminophenyl)methyl]-3,6-dimethyl-pyrazin-2-amine N-[(3-aminophenyl)methyl]-3,6-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)	1.11	3.83	-6.47	3	4	0	64	228.299	3	↓ MOL2 SDF SMILES Flexibase

52926003

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3-aminophenyl)methyl]pyrazin-2-amine N-[(3-aminophenyl)methyl]pyrazin…

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	2.21	-6.13	3	4	0	64	200.245	3	↓ MOL2 SDF SMILES Flexibase

20358070

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-Benzyl-6-chloropyrazin-2-amine N-Benzyl-6-chloropyrazin-2-amine

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)	2.41	4.75	-4.88	1	3	0	38	219.675	3	↓ MOL2 SDF SMILES Flexibase

53550704

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1R)-1-[(6-chloropyrazin-2-yl)amino]ethyl]-N,N-diethyl-benzenesulfonamide 4-[(1R)-1-[(6-chloropyrazin-2-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)	3.04	5.18	-12.22	1	6	0	75	368.89	7	↓ MOL2 SDF SMILES Flexibase

53550707

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]-N,N-diethyl-benzenesulfonamide 4-[(1S)-1-[(6-chloropyrazin-2-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)	3.04	5.19	-11.6	1	6	0	75	368.89	7	↓ MOL2 SDF SMILES Flexibase

53558975

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(6-chloropyrazin-2-yl)amino]methyl]-N-isopropyl-N-methyl-benzamide 4-[[(6-chloropyrazin-2-yl)amino]…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.05	6.14	-12.51	1	5	0	58	318.808	5	↓ MOL2 SDF SMILES Flexibase

53559516

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-N-[(3-methoxy-4-propoxy-phenyl)methyl]pyrazin-2-amine 6-chloro-N-[(3-methoxy-4-propoxy…

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)	2.94	5.67	-8.89	1	5	0	56	307.781	7	↓ MOL2 SDF SMILES Flexibase

53562252

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-N-[[4-(2-diethylaminoethyloxy)phenyl]methyl]pyrazin-2-amine 6-chloro-N-[[4-(2-diethylaminoet…

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)	3.25	7.78	-37.09	2	5	1	51	335.859	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.25	5.29	-6.68	1	5	0	50	334.851	9	↓ MOL2 SDF SMILES Flexibase

53573428

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-[[(6-chloropyrazin-2-yl)amino]methyl]phenoxy]-N,N-dimethyl-acetamide 2-[3-[[(6-chloropyrazin-2-yl)ami…

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)	1.36	5.59	-15.8	1	6	0	67	320.78	6	↓ MOL2 SDF SMILES Flexibase

53573437

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-N-[[4-(difluoromethoxy)-3-ethoxy-phenyl]methyl]pyrazin-2-amine 6-chloro-N-[[4-(difluoromethoxy)…

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	5.15	-10.03	1	5	0	56	329.734	7	↓ MOL2 SDF SMILES Flexibase

53573570

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-N-[(2,3,4-trimethoxyphenyl)methyl]pyrazin-2-amine 6-chloro-N-[(2,3,4-trimethoxyphe…

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)	2.24	3.93	-9.89	1	6	0	66	309.753	6	↓ MOL2 SDF SMILES Flexibase

53573656

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-N-[[4-(diethylamino)phenyl]methyl]pyrazin-2-amine 6-chloro-N-[[4-(diethylamino)phe…

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	7.15	-15.9	2	4	0	42	291.806	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.27	7.06	-5.17	1	4	0	41	290.798	6	↓ MOL2 SDF SMILES Flexibase

63001598

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-phenyl-2-(pyrazin-2-ylamino)ethanol (2S)-2-phenyl-2-(pyrazin-2-ylami…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.16	1.88	-7.39	2	4	0	58	215.256	4	↓ MOL2 SDF SMILES Flexibase

63001599

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-phenyl-2-(pyrazin-2-ylamino)ethanol (2R)-2-phenyl-2-(pyrazin-2-ylami…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.16	1.88	-7.38	2	4	0	58	215.256	4	↓ MOL2 SDF SMILES Flexibase

63001632

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1S)-2-hydroxy-1-phenyl-ethyl]amino]pyrazine-2-carbonitrile 3-[[(1S)-2-hydroxy-1-phenyl-ethy…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.16	2.65	-10.35	2	5	0	82	240.266	4	↓ MOL2 SDF SMILES Flexibase

63001633

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1R)-2-hydroxy-1-phenyl-ethyl]amino]pyrazine-2-carbonitrile 3-[[(1R)-2-hydroxy-1-phenyl-ethy…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.16	2.65	-10.35	2	5	0	82	240.266	4	↓ MOL2 SDF SMILES Flexibase

63012023

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(6-chloropyrazin-2-yl)amino]-2-phenyl-ethanol (2S)-2-[(6-chloropyrazin-2-yl)am…

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)	1.96	2.3	-6.89	2	4	0	58	249.701	4	↓ MOL2 SDF SMILES Flexibase

63012024

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(6-chloropyrazin-2-yl)amino]-2-phenyl-ethanol (2R)-2-[(6-chloropyrazin-2-yl)am…

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)	1.96	2.3	-6.87	2	4	0	58	249.701	4	↓ MOL2 SDF SMILES Flexibase

63012025

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(3-chloropyrazin-2-yl)amino]-2-phenyl-ethanol (2S)-2-[(3-chloropyrazin-2-yl)am…

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)	1.96	2.82	-7.48	2	4	0	58	249.701	4	↓ MOL2 SDF SMILES Flexibase

63012026

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(3-chloropyrazin-2-yl)amino]-2-phenyl-ethanol (2R)-2-[(3-chloropyrazin-2-yl)am…

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)	1.96	2.82	-7.46	2	4	0	58	249.701	4	↓ MOL2 SDF SMILES Flexibase

54917659

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-N-[(1S)-1-phenylethyl]pyrazin-2-amine 6-chloro-N-[(1S)-1-phenylethyl]p…

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)	2.97	5.47	-4.86	1	3	0	38	233.702	3	↓ MOL2 SDF SMILES Flexibase

54917660

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-N-[(1R)-1-phenylethyl]pyrazin-2-amine 6-chloro-N-[(1R)-1-phenylethyl]p…

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)	2.97	5.47	-4.85	1	3	0	38	233.702	3	↓ MOL2 SDF SMILES Flexibase

54917741

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-N-[(3-methoxyphenyl)methyl]-N-methyl-pyrazin-2-amine 6-chloro-N-[(3-methoxyphenyl)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)	2.69	6.29	-8.81	0	4	0	38	263.728	4	↓ MOL2 SDF SMILES Flexibase

54917742

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-bromophenyl)methyl]-6-chloro-N-methyl-pyrazin-2-amine N-[(2-bromophenyl)methyl]-6-chlo…

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)	3.42	7.79	-5.57	0	3	0	29	312.598	3	↓ MOL2 SDF SMILES Flexibase

54917743

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-N-methyl-N-(o-tolylmethyl)pyrazin-2-amine 6-chloro-N-methyl-N-(o-tolylmeth…

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	7.7	-5.48	0	3	0	29	247.729	3	↓ MOL2 SDF SMILES Flexibase

54917744

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-N-methyl-N-(p-tolylmethyl)pyrazin-2-amine 6-chloro-N-methyl-N-(p-tolylmeth…

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	7.25	-5.66	0	3	0	29	247.729	3	↓ MOL2 SDF SMILES Flexibase

54917746

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-N-[(3-chlorophenyl)methyl]-N-methyl-pyrazin-2-amine 6-chloro-N-[(3-chlorophenyl)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)	3.31	7.51	-7.47	0	3	0	29	268.147	3	↓ MOL2 SDF SMILES Flexibase

54917748

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-N-[(4-fluorophenyl)methyl]-N-methyl-pyrazin-2-amine 6-chloro-N-[(4-fluorophenyl)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)	2.82	7.05	-6.99	0	3	0	29	251.692	3	↓ MOL2 SDF SMILES Flexibase

54917762

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]pyrazin-2-amine 6-chloro-N-[(1S)-1-(4-chlorophen…

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	5.99	-5.6	1	3	0	38	268.147	3	↓ MOL2 SDF SMILES Flexibase

54917763

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]pyrazin-2-amine 6-chloro-N-[(1R)-1-(4-chlorophen…

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	5.99	-5.58	1	3	0	38	268.147	3	↓ MOL2 SDF SMILES Flexibase

54917816

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-N-[(1R)-1-(o-tolyl)ethyl]pyrazin-2-amine 6-chloro-N-[(1R)-1-(o-tolyl)ethy…

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)	3.37	5.96	-4.96	1	3	0	38	247.729	3	↓ MOL2 SDF SMILES Flexibase

54917817

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-N-[(1S)-1-(o-tolyl)ethyl]pyrazin-2-amine 6-chloro-N-[(1S)-1-(o-tolyl)ethy…

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)	3.37	6.05	-4.99	1	3	0	38	247.729	3	↓ MOL2 SDF SMILES Flexibase

69739406

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2-chloro-4-fluoro-phenyl)methyl-methyl-amino]pyrazine-2-carbonitrile 3-[(2-chloro-4-fluoro-phenyl)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)	2.62	6.98	-8.97	0	4	0	53	276.702	3	↓ MOL2 SDF SMILES Flexibase

69769303

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1S)-1-[4-(2-methoxyethylsulfanyl)phenyl]ethyl]amino]pyrazine-2-carbonitrile 3-[[(1S)-1-[4-(2-methoxyethylsul…

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	6.77	-9.5	1	5	0	71	314.414	7	↓ MOL2 SDF SMILES Flexibase

69769305

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1R)-1-[4-(2-methoxyethylsulfanyl)phenyl]ethyl]amino]pyrazine-2-carbonitrile 3-[[(1R)-1-[4-(2-methoxyethylsul…

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	6.77	-9.52	1	5	0	71	314.414	7	↓ MOL2 SDF SMILES Flexibase

40444499

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]pyrazin-2-amine N-[(1S)-1-(3,4-dimethoxyphenyl)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)	1.82	4.25	-9.42	1	5	0	56	259.309	5	↓ MOL2 SDF SMILES Flexibase

40444500

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]pyrazin-2-amine N-[(1R)-1-(3,4-dimethoxyphenyl)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)	1.82	4.25	-9.42	1	5	0	56	259.309	5	↓ MOL2 SDF SMILES Flexibase

48962626

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)	2.96	6.33	-9.45	1	5	0	64	291.738	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 12895
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 = 12895 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=12895&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": "12895"        

    });
</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