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

62028754

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-[(1S)-1-(3-chlorophenyl)ethyl]-6-methoxy-N-methyl-1,3,5-triazin-2-amine 4-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)	4.66	8.28	-5.14	0	5	0	51	313.188	4	↓ MOL2 SDF SMILES Flexibase

62028755

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-[(1R)-1-(3-chlorophenyl)ethyl]-6-methoxy-N-methyl-1,3,5-triazin-2-amine 4-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)	4.66	7.71	-5.92	0	5	0	51	313.188	4	↓ MOL2 SDF SMILES Flexibase

62028756

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-[(1S)-1-(3-chlorophenyl)ethyl]-6-ethoxy-N-methyl-1,3,5-triazin-2-amine 4-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)	5.03	8.6	-5.73	0	5	0	51	327.215	5	↓ MOL2 SDF SMILES Flexibase

62028758

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-[(1R)-1-(3-chlorophenyl)ethyl]-6-ethoxy-N-methyl-1,3,5-triazin-2-amine 4-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)	5.03	9.25	-6.98	0	5	0	51	327.215	5	↓ MOL2 SDF SMILES Flexibase

62028759

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,6-dichloro-N-[(1S)-1-(3-chlorophenyl)ethyl]-N-methyl-1,3,5-triazin-2-amine 4,6-dichloro-N-[(1S)-1-(3-chloro…

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)	4.87	11.32	-3.6	0	4	0	42	317.607	3	↓ MOL2 SDF SMILES Flexibase

62028760

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,6-dichloro-N-[(1R)-1-(3-chlorophenyl)ethyl]-N-methyl-1,3,5-triazin-2-amine 4,6-dichloro-N-[(1R)-1-(3-chloro…

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)	4.87	10.73	-4.22	0	4	0	42	317.607	3	↓ MOL2 SDF SMILES Flexibase

62028761

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-N2-[(1S)-1-(3-chlorophenyl)ethyl]-N2,N4,N4-trimethyl-1,3,5-triazine-2,4-diamine 6-chloro-N2-[(1S)-1-(3-chlorophe…

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)	4.83	14.05	-5.83	0	5	0	45	326.231	4	↓ MOL2 SDF SMILES Flexibase

62028762

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-N2-[(1R)-1-(3-chlorophenyl)ethyl]-N2,N4,N4-trimethyl-1,3,5-triazine-2,4-diamine 6-chloro-N2-[(1R)-1-(3-chlorophe…

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)	4.83	13.47	-6.43	0	5	0	45	326.231	4	↓ MOL2 SDF SMILES Flexibase

62028794

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-[(1S)-1-(2-fluorophenyl)ethyl]-6-methoxy-N-methyl-1,3,5-triazin-2-amine 4-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)	4.12	7.34	-9.05	0	5	0	51	296.733	4	↓ MOL2 SDF SMILES Flexibase

62028795

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]-6-methoxy-N-methyl-1,3,5-triazin-2-amine 4-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)	4.12	7.34	-9.14	0	5	0	51	296.733	4	↓ MOL2 SDF SMILES Flexibase

62028796

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-6-ethoxy-N-[(1S)-1-(2-fluorophenyl)ethyl]-N-methyl-1,3,5-triazin-2-amine 4-chloro-6-ethoxy-N-[(1S)-1-(2-f…

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)	4.49	8.27	-8.95	0	5	0	51	310.76	5	↓ MOL2 SDF SMILES Flexibase

62028797

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-6-ethoxy-N-[(1R)-1-(2-fluorophenyl)ethyl]-N-methyl-1,3,5-triazin-2-amine 4-chloro-6-ethoxy-N-[(1R)-1-(2-f…

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)	4.49	8.26	-8.73	0	5	0	51	310.76	5	↓ MOL2 SDF SMILES Flexibase

62028798

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,6-dichloro-N-[(1S)-1-(2-fluorophenyl)ethyl]-N-methyl-1,3,5-triazin-2-amine 4,6-dichloro-N-[(1S)-1-(2-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)	4.33	10.38	-7.3	0	4	0	42	301.152	3	↓ MOL2 SDF SMILES Flexibase

62028799

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,6-dichloro-N-[(1R)-1-(2-fluorophenyl)ethyl]-N-methyl-1,3,5-triazin-2-amine 4,6-dichloro-N-[(1R)-1-(2-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)	4.33	10.38	-7.37	0	4	0	42	301.152	3	↓ MOL2 SDF SMILES Flexibase

62028800

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-N2-[(1S)-1-(2-fluorophenyl)ethyl]-N2,N4,N4-trimethyl-1,3,5-triazine-2,4-diamine 6-chloro-N2-[(1S)-1-(2-fluorophe…

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)	4.29	13.11	-10.12	0	5	0	45	309.776	4	↓ MOL2 SDF SMILES Flexibase

62028801

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-N2-[(1R)-1-(2-fluorophenyl)ethyl]-N2,N4,N4-trimethyl-1,3,5-triazine-2,4-diamine 6-chloro-N2-[(1R)-1-(2-fluorophe…

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)	4.29	13.11	-10.14	0	5	0	45	309.776	4	↓ MOL2 SDF SMILES Flexibase

60020556

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-4,6-difluoro-1,3,5-triazin-2-amine N-benzyl-4,6-difluoro-1,3,5-tria…

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	7.19	-3.11	1	4	0	51	222.198	3	↓ MOL2 SDF SMILES Flexibase

61450582

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-(aminomethyl)phenyl]methyl]-4,6-dimethoxy-N-methyl-1,3,5-triazin-2-amine N-[[3-(aminomethyl)phenyl]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)	2.39	2.44	-43.79	3	7	1	88	290.347	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.39	2.04	-8.72	2	7	0	86	289.339	6	↓ MOL2 SDF SMILES Flexibase

61450608

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-(aminomethyl)phenyl]methyl]-4,6-dimethoxy-1,3,5-triazin-2-amine N-[[3-(aminomethyl)phenyl]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)	2.02	-0.11	-50.14	4	7	1	97	276.32	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.02	-0.51	-7.58	3	7	0	95	275.312	6	↓ MOL2 SDF SMILES Flexibase

61450612

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-[4-(aminomethyl)phenyl]ethyl]-4,6-dimethoxy-1,3,5-triazin-2-amine N-[(1S)-1-[4-(aminomethyl)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)	2.61	0.79	-50.41	4	7	1	97	290.347	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.61	0.39	-7.55	3	7	0	95	289.339	6	↓ MOL2 SDF SMILES Flexibase

61450616

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-[4-(aminomethyl)phenyl]ethyl]-4,6-dimethoxy-1,3,5-triazin-2-amine N-[(1R)-1-[4-(aminomethyl)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)	2.61	0.8	-50.9	4	7	1	97	290.347	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.61	0.4	-7.54	3	7	0	95	289.339	6	↓ MOL2 SDF SMILES Flexibase

61450619

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-(aminomethyl)phenyl]methyl]-4,6-dimethoxy-1,3,5-triazin-2-amine N-[[4-(aminomethyl)phenyl]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)	2.05	-0.1	-50.68	4	7	1	97	276.32	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.05	-0.5	-7.43	3	7	0	95	275.312	6	↓ MOL2 SDF SMILES Flexibase

61450623

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(aminomethyl)phenyl]methyl]-4,6-dimethoxy-N-methyl-1,3,5-triazin-2-amine N-[[2-(aminomethyl)phenyl]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)	2.36	2.43	-54.88	3	7	1	88	290.347	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.36	2.06	-8.09	2	7	0	86	289.339	6	↓ MOL2 SDF SMILES Flexibase

61450626

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-(aminomethyl)phenyl]methyl]-4,6-dimethoxy-N-methyl-1,3,5-triazin-2-amine N-[[4-(aminomethyl)phenyl]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)	2.41	2.45	-48.94	3	7	1	88	290.347	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.41	2.05	-8.92	2	7	0	86	289.339	6	↓ MOL2 SDF SMILES Flexibase

61450628

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-N-(4,6-dimethoxy-1,3,5-triazin-2-yl)ethane-1,2-diamine N-benzyl-N-(4,6-dimethoxy-1,3,5-…

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)	2.03	2.73	-52.54	3	7	1	88	290.347	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.03	2.34	-9.19	2	7	0	86	289.339	7	↓ MOL2 SDF SMILES Flexibase

61450851

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-4,6-dimethoxy-1,3,5-triazin-2-amine N-[(1S)-1-(2,4-dichlorophenyl)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)	4.71	3.75	-7.34	1	6	0	69	329.187	5	↓ MOL2 SDF SMILES Flexibase

61450856

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-4,6-dimethoxy-1,3,5-triazin-2-amine N-[(1R)-1-(2,4-dichlorophenyl)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)	4.71	3.71	-7.24	1	6	0	69	329.187	5	↓ MOL2 SDF SMILES Flexibase

61450908

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,6-dimethoxy-N-[(1S)-1-phenylethyl]-1,3,5-triazin-2-amine 4,6-dimethoxy-N-[(1S)-1-phenylet…

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	2.75	-7.14	1	6	0	69	260.297	5	↓ MOL2 SDF SMILES Flexibase

61450911

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,6-dimethoxy-N-[(1R)-1-phenylethyl]-1,3,5-triazin-2-amine 4,6-dimethoxy-N-[(1R)-1-phenylet…

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	2.76	-7.14	1	6	0	69	260.297	5	↓ MOL2 SDF SMILES Flexibase

61450921

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,6-dimethoxy-N-[(2-methoxyphenyl)methyl]-1,3,5-triazin-2-amine 4,6-dimethoxy-N-[(2-methoxypheny…

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)	2.87	1.2	-8.67	1	7	0	78	276.296	6	↓ MOL2 SDF SMILES Flexibase

61450946

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-chlorophenyl)methyl]-4,6-dimethoxy-1,3,5-triazin-2-amine N-[(2-chlorophenyl)methyl]-4,6-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)	3.49	2.27	-7.84	1	6	0	69	280.715	5	↓ MOL2 SDF SMILES Flexibase

61450949

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,6-dimethoxy-N-[(4-methoxyphenyl)methyl]-1,3,5-triazin-2-amine 4,6-dimethoxy-N-[(4-methoxypheny…

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)	2.92	1.17	-8.31	1	7	0	78	276.296	6	↓ MOL2 SDF SMILES Flexibase

61451001

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-fluorophenyl)methyl]-4,6-dimethoxy-1,3,5-triazin-2-amine N-[(4-fluorophenyl)methyl]-4,6-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)	3.03	1.93	-7.66	1	6	0	69	264.26	5	↓ MOL2 SDF SMILES Flexibase

61451026

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-fluorophenyl)methyl]-4,6-dimethoxy-1,3,5-triazin-2-amine N-[(2-fluorophenyl)methyl]-4,6-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)	2.98	1.89	-8.62	1	6	0	69	264.26	5	↓ MOL2 SDF SMILES Flexibase

61451042

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,6-dimethoxy-N-(p-tolylmethyl)-1,3,5-triazin-2-amine 4,6-dimethoxy-N-(p-tolylmethyl)-…

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	2.54	-7.07	1	6	0	69	260.297	5	↓ MOL2 SDF SMILES Flexibase

61451057

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-bromophenyl)methyl]-4,6-dimethoxy-1,3,5-triazin-2-amine N-[(4-bromophenyl)methyl]-4,6-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)	3.67	2.49	-7.07	1	6	0	69	325.166	5	↓ MOL2 SDF SMILES Flexibase

61451069

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3-fluorophenyl)methyl]-4,6-dimethoxy-1,3,5-triazin-2-amine N-[(3-fluorophenyl)methyl]-4,6-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)	3.00	1.92	-7.92	1	6	0	69	264.26	5	↓ MOL2 SDF SMILES Flexibase

61451278

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,6-dimethoxy-N-[(4-nitrophenyl)methyl]-1,3,5-triazin-2-amine 4,6-dimethoxy-N-[(4-nitrophenyl)…

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	2.58	-11.32	1	9	0	115	291.267	6	↓ MOL2 SDF SMILES Flexibase

61451282

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3-ethoxyphenyl)methyl]-4,6-dimethoxy-1,3,5-triazin-2-amine N-[(3-ethoxyphenyl)methyl]-4,6-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)	3.27	2.1	-8.34	1	7	0	78	290.323	7	↓ MOL2 SDF SMILES Flexibase

61451285

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,6-dimethoxy-N-[(3-methoxyphenyl)methyl]-1,3,5-triazin-2-amine 4,6-dimethoxy-N-[(3-methoxypheny…

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)	2.90	1.17	-8.51	1	7	0	78	276.296	6	↓ MOL2 SDF SMILES Flexibase

61451291

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,6-dimethoxy-N-(o-tolylmethyl)-1,3,5-triazin-2-amine 4,6-dimethoxy-N-(o-tolylmethyl)-…

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	2.58	-6.85	1	6	0	69	260.297	5	↓ MOL2 SDF SMILES Flexibase

61451293

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,6-dimethoxy-N-(m-tolylmethyl)-1,3,5-triazin-2-amine 4,6-dimethoxy-N-(m-tolylmethyl)-…

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)	3.29	2.53	-7.02	1	6	0	69	260.297	5	↓ MOL2 SDF SMILES Flexibase

61451305

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]methyl]benzonitrile 4-[[(4,6-dimethoxy-1,3,5-triazin…

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	2.26	-10.41	1	7	0	93	271.28	5	↓ MOL2 SDF SMILES Flexibase

61451308

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]methyl]benzonitrile 3-[[(4,6-dimethoxy-1,3,5-triazin…

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)	2.60	2.25	-10.84	1	7	0	93	271.28	5	↓ MOL2 SDF SMILES Flexibase

61451313

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1S)-1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]ethyl]benzonitrile 4-[(1S)-1-[(4,6-dimethoxy-1,3,5-…

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)	3.18	3.14	-10.38	1	7	0	93	285.307	5	↓ MOL2 SDF SMILES Flexibase

61451316

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1R)-1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]ethyl]benzonitrile 4-[(1R)-1-[(4,6-dimethoxy-1,3,5-…

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)	3.18	3.15	-10.38	1	7	0	93	285.307	5	↓ MOL2 SDF SMILES Flexibase

61451332

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,6-dimethoxy-N-[[2-(methoxymethyl)phenyl]methyl]-1,3,5-triazin-2-amine 4,6-dimethoxy-N-[[2-(methoxymeth…

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	1.7	-7.63	1	7	0	78	290.323	7	↓ MOL2 SDF SMILES Flexibase

61451365

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,6-dimethoxy-N-[[3-(methoxymethyl)phenyl]methyl]-1,3,5-triazin-2-amine 4,6-dimethoxy-N-[[3-(methoxymeth…

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)	2.79	1.6	-8.42	1	7	0	78	290.323	7	↓ MOL2 SDF SMILES Flexibase

61451372

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(3-bromophenyl)ethyl]-4,6-dimethoxy-1,3,5-triazin-2-amine N-[(1S)-1-(3-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)	4.21	3.38	-7.44	1	6	0	69	339.193	5	↓ MOL2 SDF SMILES Flexibase

61451374

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(3-bromophenyl)ethyl]-4,6-dimethoxy-1,3,5-triazin-2-amine N-[(1R)-1-(3-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)	4.21	3.38	-7.44	1	6	0	69	339.193	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 12855
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 = 12855 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=12855&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": "12855"        

    });
</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