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ZINC Item

Suppliers, Protomers, & Similar Substances

62614691

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-4-(2,3-difluorophenoxy)-6-propoxy-1,3,5-triazine 2-chloro-4-(2,3-difluorophenoxy)…

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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)	3.86	2.43	-8.99	0	5	0	57	301.68	5	↓ MOL2 SDF SMILES Flexibase

62614694

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-4-(2,3-difluorophenoxy)-6-isopropoxy-1,3,5-triazine 2-chloro-4-(2,3-difluorophenoxy)…

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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)	3.72	2.55	-9.43	0	5	0	57	301.68	4	↓ MOL2 SDF SMILES Flexibase

61450761

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-bromophenoxy)-4,6-dimethoxy-1,3,5-triazine 2-(3-bromophenoxy)-4,6-dimethoxy…

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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	-1.52	-7.71	0	6	0	66	312.123	4	↓ MOL2 SDF SMILES Flexibase

61450763

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-bromophenoxy)-4,6-dimethoxy-1,3,5-triazine 2-(2-bromophenoxy)-4,6-dimethoxy…

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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)	2.89	-1.68	-9.9	0	6	0	66	312.123	4	↓ MOL2 SDF SMILES Flexibase

61450765

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-bromo-4-fluoro-phenoxy)-4,6-dimethoxy-1,3,5-triazine 2-(2-bromo-4-fluoro-phenoxy)-4,6…

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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	-1.62	-7.89	0	6	0	66	330.113	4	↓ MOL2 SDF SMILES Flexibase

61450769

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-bromophenoxy)-4,6-dimethoxy-1,3,5-triazine 2-(4-bromophenoxy)-4,6-dimethoxy…

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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	-1.52	-6.89	0	6	0	66	312.123	4	↓ MOL2 SDF SMILES Flexibase

61450773

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-bromo-4-methyl-phenoxy)-4,6-dimethoxy-1,3,5-triazine 2-(2-bromo-4-methyl-phenoxy)-4,6…

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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)	3.32	-1.08	-9.49	0	6	0	66	326.15	4	↓ MOL2 SDF SMILES Flexibase

61450774

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-iodophenoxy)-4,6-dimethoxy-1,3,5-triazine 2-(4-iodophenoxy)-4,6-dimethoxy-…

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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)	3.21	-1.04	-6.73	0	6	0	66	359.123	4	↓ MOL2 SDF SMILES Flexibase

61450779

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-iodophenoxy)-4,6-dimethoxy-1,3,5-triazine 2-(3-iodophenoxy)-4,6-dimethoxy-…

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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)	3.19	-1.04	-7.55	0	6	0	66	359.123	4	↓ MOL2 SDF SMILES Flexibase

61450783

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-iodophenoxy)-4,6-dimethoxy-1,3,5-triazine 2-(2-iodophenoxy)-4,6-dimethoxy-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.17	-1.26	-9.41	0	6	0	66	359.123	4	↓ MOL2 SDF SMILES Flexibase

61452057

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]aniline 3-[(4,6-dimethoxy-1,3,5-triazin-…

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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)	1.18	-4.27	-9.29	2	7	0	92	248.242	4	↓ MOL2 SDF SMILES Flexibase

61452059

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-5-methoxy-aniline 2-[(4,6-dimethoxy-1,3,5-triazin-…

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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)	1.60	-5.09	-8.93	2	8	0	102	278.268	5	↓ MOL2 SDF SMILES Flexibase

61452060

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	1.99	-3.51	-9.54	2	7	0	92	262.269	4	↓ MOL2 SDF SMILES Flexibase

61452063

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]aniline 5-chloro-2-[(4,6-dimethoxy-1,3,5…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.22	-3.81	-7.15	2	7	0	92	282.687	4	↓ MOL2 SDF SMILES Flexibase

61452064

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-4-fluoro-aniline 2-[(4,6-dimethoxy-1,3,5-triazin-…

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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)	1.71	-4.26	-8.77	2	7	0	92	266.232	4	↓ MOL2 SDF SMILES Flexibase

61452068

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	1.99	-3.71	-8.62	2	7	0	92	262.269	4	↓ MOL2 SDF SMILES Flexibase

61452070

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]aniline 3-chloro-4-[(4,6-dimethoxy-1,3,5…

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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	-3.87	-10.43	2	7	0	92	282.687	4	↓ MOL2 SDF SMILES Flexibase

61452071

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-4-methoxy-aniline 3-[(4,6-dimethoxy-1,3,5-triazin-…

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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)	1.00	-4.49	-12.22	2	8	0	102	278.268	5	↓ MOL2 SDF SMILES Flexibase

61452073

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-3-fluoro-aniline 4-[(4,6-dimethoxy-1,3,5-triazin-…

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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)	1.30	-4.3	-11.5	2	7	0	92	266.232	4	↓ MOL2 SDF SMILES Flexibase

61452074

Analogs

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.97	-3.59	-9.51	2	7	0	92	262.269	4	↓ MOL2 SDF SMILES Flexibase

61452076

Analogs

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.97	-3.6	-8.65	2	7	0	92	262.269	4	↓ MOL2 SDF SMILES Flexibase

61452078

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	1.58	-3.69	-9.51	2	7	0	92	262.269	4	↓ MOL2 SDF SMILES Flexibase

61452080

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	1.30	-3.92	-9.09	2	8	0	116	273.252	4	↓ MOL2 SDF SMILES Flexibase

61452082

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	0.89	-4.03	-13.69	2	8	0	116	273.252	4	↓ MOL2 SDF SMILES Flexibase

61452084

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	2.31	-2.81	-9.28	2	8	0	116	399.148	4	↓ MOL2 SDF SMILES Flexibase

61452085

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-2-fluoro-aniline 4-[(4,6-dimethoxy-1,3,5-triazin-…

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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)	1.71	-4.19	-8.86	2	7	0	92	266.232	4	↓ MOL2 SDF SMILES Flexibase

61452086

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]aniline 2-chloro-4-[(4,6-dimethoxy-1,3,5…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.22	-3.7	-8.43	2	7	0	92	282.687	4	↓ MOL2 SDF SMILES Flexibase

61452090

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-3-methoxy-aniline 4-[(4,6-dimethoxy-1,3,5-triazin-…

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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)	1.00	-4.48	-12.43	2	8	0	102	278.268	5	↓ MOL2 SDF SMILES Flexibase

61452092

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]aniline 4-chloro-2-[(4,6-dimethoxy-1,3,5…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.22	-3.81	-8.19	2	7	0	92	282.687	4	↓ MOL2 SDF SMILES Flexibase

61452095

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-5-fluoro-aniline 2-[(4,6-dimethoxy-1,3,5-triazin-…

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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)	1.71	-4.26	-7.36	2	7	0	92	266.232	4	↓ MOL2 SDF SMILES Flexibase

61452338

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	2.47	-4.36	-9.57	1	7	0	87	263.253	4	↓ MOL2 SDF SMILES Flexibase

61452343

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]phenol 2-[(4,6-dimethoxy-1,3,5-triazin-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.64	-4.41	-11.12	1	7	0	87	249.226	4	↓ MOL2 SDF SMILES Flexibase

61452346

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]phenol 3-[(4,6-dimethoxy-1,3,5-triazin-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.63	-5	-9.91	1	7	0	87	249.226	4	↓ MOL2 SDF SMILES Flexibase

61452351

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	1.99	-3.35	-9.18	1	7	0	78	262.269	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.99	-2.79	-45.89	2	7	1	83	263.277	5	↓ MOL2 SDF SMILES Flexibase

61452501

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]benzoic 3-[(4,6-dimethoxy-1,3,5-triazin-…

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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	-1.58	-52.44	0	8	-1	107	276.228	5	↓ MOL2 SDF SMILES Flexibase

61452505

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]phenyl]acetic 2-[4-[(4,6-dimethoxy-1,3,5-triaz…

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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)	1.56	-0.8	-47.82	0	8	-1	107	290.255	6	↓ MOL2 SDF SMILES Flexibase

61452508

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	2.48	-0.87	-62.09	0	8	-1	107	290.255	5	↓ MOL2 SDF SMILES Flexibase

61452511

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]benzoic 4-chloro-2-[(4,6-dimethoxy-1,3,5…

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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)	2.73	-0.86	-53.86	0	8	-1	107	310.673	5	↓ MOL2 SDF SMILES Flexibase

61452514

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	2.50	-0.72	-60.68	0	8	-1	107	290.255	5	↓ MOL2 SDF SMILES Flexibase

61452516

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]benzoic 5-chloro-2-[(4,6-dimethoxy-1,3,5…

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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)	2.73	-0.87	-55.65	0	8	-1	107	310.673	5	↓ MOL2 SDF SMILES Flexibase

61452520

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]benzoic 3-chloro-4-[(4,6-dimethoxy-1,3,5…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.65	-1.19	-46.18	0	8	-1	107	310.673	5	↓ MOL2 SDF SMILES Flexibase

61452523

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	2.50	-0.71	-61.15	0	8	-1	107	290.255	5	↓ MOL2 SDF SMILES Flexibase

61452527

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	2.42	-1.01	-53.61	0	8	-1	107	290.255	5	↓ MOL2 SDF SMILES Flexibase

61452537

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]phenyl]acetic 2-[3-[(4,6-dimethoxy-1,3,5-triaz…

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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)	1.53	-0.8	-50.41	0	8	-1	107	290.255	6	↓ MOL2 SDF SMILES Flexibase

61452538

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]benzoic 4-bromo-2-[(4,6-dimethoxy-1,3,5-…

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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)	2.86	-0.75	-53.78	0	8	-1	107	355.124	5	↓ MOL2 SDF SMILES Flexibase

61452549

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]phenyl]methanamine [2-[(4,6-dimethoxy-1,3,5-triazin…

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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)	1.27	-4.49	-42.17	3	7	1	94	263.277	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.27	-4.9	-10.21	2	7	0	92	262.269	5	↓ MOL2 SDF SMILES Flexibase

61452552

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]phenyl]methanamine [4-[(4,6-dimethoxy-1,3,5-triazin…

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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)	1.32	-4.11	-54.11	3	7	1	94	263.277	5	↓ MOL2 SDF SMILES Flexibase

61452555

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]phenyl]ethanamine 2-[4-[(4,6-dimethoxy-1,3,5-triaz…

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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)	1.12	-3.32	-54.34	3	7	1	94	277.304	6	↓ MOL2 SDF SMILES Flexibase

61452559

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-3-methoxy-phenyl]methanamine [4-[(4,6-dimethoxy-1,3,5-triazin…

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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)	1.10	-4.32	-58.79	3	8	1	103	293.303	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.10	-4.72	-11.46	2	8	0	102	292.295	6	↓ MOL2 SDF SMILES Flexibase

61452562

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-6-fluoro-phenyl]methanamine [2-[(4,6-dimethoxy-1,3,5-triazin…

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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)	1.38	-4.49	-38.86	3	7	1	94	281.267	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.38	-4.89	-9.55	2	7	0	92	280.259	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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SQL Query Was

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