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ZINC Item

Suppliers, Protomers, & Similar Substances

61450580

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	2.81	3.49	-48.22	3	7	1	88	296.395	7	↓ MOL2 SDF SMILES Flexibase

61450742

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N1-(4,6-dimethoxy-1,3,5-triazin-2-yl)cyclohexane-1,4-diamine N1-(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)	1.26	-0.85	-49.6	4	7	1	97	254.314	4	↓ MOL2 SDF SMILES Flexibase

61450860

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclohexyl-4,6-dimethoxy-1,3,5-triazin-2-amine N-cyclohexyl-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)	3.37	1.6	-6.71	1	6	0	69	238.291	4	↓ MOL2 SDF SMILES Flexibase

61450903

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]cyclohexanol 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)	1.75	-1.41	-9.07	2	7	0	89	254.29	4	↓ MOL2 SDF SMILES Flexibase

61450985

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	3.85	2.54	-6.37	1	6	0	69	266.345	4	↓ MOL2 SDF SMILES Flexibase

61450989

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	3.85	3.17	-6.19	1	6	0	69	266.345	4	↓ MOL2 SDF SMILES Flexibase

61450991

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	3.85	2.64	-6.41	1	6	0	69	266.345	4	↓ MOL2 SDF SMILES Flexibase

61450995

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	3.85	2.86	-6.34	1	6	0	69	266.345	4	↓ MOL2 SDF SMILES Flexibase

61451005

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	3.61	2.68	-6.39	1	6	0	69	252.318	4	↓ MOL2 SDF SMILES Flexibase

61451009

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	3.61	2.38	-6.42	1	6	0	69	252.318	4	↓ MOL2 SDF SMILES Flexibase

61451012

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	3.61	2.39	-6.47	1	6	0	69	252.318	4	↓ MOL2 SDF SMILES Flexibase

61451016

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	3.61	2.69	-6.4	1	6	0	69	252.318	4	↓ MOL2 SDF SMILES Flexibase

61451054

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	3.14	2.52	-6.55	1	6	0	69	252.318	4	↓ MOL2 SDF SMILES Flexibase

61451098

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	3.38	2.22	-6.5	1	6	0	69	252.318	4	↓ MOL2 SDF SMILES Flexibase

61451100

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	3.38	2.54	-6.4	1	6	0	69	252.318	4	↓ MOL2 SDF SMILES Flexibase

61451104

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	3.38	2.54	-6.36	1	6	0	69	252.318	4	↓ MOL2 SDF SMILES Flexibase

61451107

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	3.38	2.22	-6.51	1	6	0	69	252.318	4	↓ MOL2 SDF SMILES Flexibase

61451436

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]cyclohexanecarboxamide 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)	1.50	-1.73	-14.75	3	8	0	112	281.316	5	↓ MOL2 SDF SMILES Flexibase

61451614

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	4.12	3.32	-6.28	1	6	0	69	266.345	5	↓ MOL2 SDF SMILES Flexibase

61451617

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	4.12	3.04	-6.36	1	6	0	69	266.345	5	↓ MOL2 SDF SMILES Flexibase

61451621

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	4.12	3.04	-6.35	1	6	0	69	266.345	5	↓ MOL2 SDF SMILES Flexibase

61451624

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	4.12	3.32	-6.3	1	6	0	69	266.345	5	↓ MOL2 SDF SMILES Flexibase

61451626

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	3.83	2.87	-6.61	1	6	0	69	266.345	5	↓ MOL2 SDF SMILES Flexibase

61451979

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]cyclohexanol (1S,2R)-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	-1.37	-8.96	2	7	0	89	254.29	4	↓ MOL2 SDF SMILES Flexibase

61451980

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]cyclohexanol (1S,2S)-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	-1.68	-9.11	2	7	0	89	254.29	4	↓ MOL2 SDF SMILES Flexibase

61451983

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]cyclohexanol (1R,2R)-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	-1.68	-9.07	2	7	0	89	254.29	4	↓ MOL2 SDF SMILES Flexibase

61451985

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]cyclohexanol (1R,2S)-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	-1.5	-7.96	2	7	0	89	254.29	4	↓ MOL2 SDF SMILES Flexibase

61452012

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]cyclohexyl]methanol [1-[(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)	2.81	-0.03	-7.63	2	7	0	89	268.317	5	↓ MOL2 SDF SMILES Flexibase

61452014

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-4-methyl-cyclohexyl]methanol [1-[(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)	2.58	0.36	-7.5	2	7	0	89	282.344	5	↓ MOL2 SDF SMILES Flexibase

61452016

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R,3R)-1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-3-methyl-cyclohexyl]methanol [(1R,3R)-1-[(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)	2.82	0.57	-7.63	2	7	0	89	282.344	5	↓ MOL2 SDF SMILES Flexibase

61452017

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R,3S)-1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-3-methyl-cyclohexyl]methanol [(1R,3S)-1-[(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)	2.82	-0.49	-7.51	2	7	0	89	282.344	5	↓ MOL2 SDF SMILES Flexibase

61452018

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S,3R)-1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-3-methyl-cyclohexyl]methanol [(1S,3R)-1-[(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)	2.82	-0.52	-7.62	2	7	0	89	282.344	5	↓ MOL2 SDF SMILES Flexibase

61452020

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S,3S)-1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-3-methyl-cyclohexyl]methanol [(1S,3S)-1-[(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)	2.82	0.59	-7.64	2	7	0	89	282.344	5	↓ MOL2 SDF SMILES Flexibase

61452166

Analogs

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Popular Name: (1R,2S)-N1-(4,6-dimethoxy-1,3,5-triazin-2-yl)cyclohexane-1,2-diamine (1R,2S)-N1-(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)	1.73	-0.6	-48.03	4	7	1	97	254.314	4	↓ MOL2 SDF SMILES Flexibase

61452168

Analogs

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Popular Name: (1S,2S)-N1-(4,6-dimethoxy-1,3,5-triazin-2-yl)cyclohexane-1,2-diamine (1S,2S)-N1-(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)	1.73	-0.94	-47.31	4	7	1	97	254.314	4	↓ MOL2 SDF SMILES Flexibase

61452170

Analogs

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Popular Name: (1R,2R)-N1-(4,6-dimethoxy-1,3,5-triazin-2-yl)cyclohexane-1,2-diamine (1R,2R)-N1-(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)	1.73	-0.94	-47.29	4	7	1	97	254.314	4	↓ MOL2 SDF SMILES Flexibase

61452172

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N1-(4,6-dimethoxy-1,3,5-triazin-2-yl)cyclohexane-1,2-diamine (1S,2R)-N1-(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)	1.73	-0.6	-47.97	4	7	1	97	254.314	4	↓ MOL2 SDF SMILES Flexibase

61452424

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	3.10	2.09	-7.47	1	7	0	81	282.344	6	↓ MOL2 SDF SMILES Flexibase

70113861

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	3.62	3.29	-6.29	1	6	0	69	266.345	4	↓ MOL2 SDF SMILES Flexibase

70113862

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	3.62	2.67	-6.41	1	6	0	69	266.345	4	↓ MOL2 SDF SMILES Flexibase

70113863

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	3.62	3	-6.36	1	6	0	69	266.345	4	↓ MOL2 SDF SMILES Flexibase

70113864

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	3.62	2.77	-6.39	1	6	0	69	266.345	4	↓ MOL2 SDF SMILES Flexibase

70116395

Analogs

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Popular Name: 4-chloro-N-[(1R,2S,4S)-2,4-dimethylcyclohexyl]-6-propoxy-1,3,5-triazin-2-amine 4-chloro-N-[(1R,2S,4S)-2,4-dimet…

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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)	4.71	7.79	-3.72	1	5	0	60	298.818	5	↓ MOL2 SDF SMILES Flexibase

70116396

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-[(1S,2S,4S)-2,4-dimethylcyclohexyl]-6-propoxy-1,3,5-triazin-2-amine 4-chloro-N-[(1S,2S,4S)-2,4-dimet…

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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)	4.71	7.5	-3.74	1	5	0	60	298.818	5	↓ MOL2 SDF SMILES Flexibase

70116397

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-[(1R,2S,4R)-2,4-dimethylcyclohexyl]-6-propoxy-1,3,5-triazin-2-amine 4-chloro-N-[(1R,2S,4R)-2,4-dimet…

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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)	4.71	7.17	-3.71	1	5	0	60	298.818	5	↓ MOL2 SDF SMILES Flexibase

70116398

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-[(1S,2S,4R)-2,4-dimethylcyclohexyl]-6-propoxy-1,3,5-triazin-2-amine 4-chloro-N-[(1S,2S,4R)-2,4-dimet…

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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)	4.71	7.27	-3.71	1	5	0	60	298.818	5	↓ MOL2 SDF SMILES Flexibase

70116399

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,6-dichloro-N-[(1S,2R,4R)-2,4-dimethylcyclohexyl]-1,3,5-triazin-2-amine 4,6-dichloro-N-[(1S,2R,4R)-2,4-d…

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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)	4.05	9.25	-2.55	1	4	0	51	275.183	2	↓ MOL2 SDF SMILES Flexibase

70116400

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,6-dichloro-N-[(1S,2R,4S)-2,4-dimethylcyclohexyl]-1,3,5-triazin-2-amine 4,6-dichloro-N-[(1S,2R,4S)-2,4-d…

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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)	4.05	8.62	-2.6	1	4	0	51	275.183	2	↓ MOL2 SDF SMILES Flexibase

70116401

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,6-dichloro-N-[(1R,2R,4R)-2,4-dimethylcyclohexyl]-1,3,5-triazin-2-amine 4,6-dichloro-N-[(1R,2R,4R)-2,4-d…

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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)	4.05	8.95	-2.59	1	4	0	51	275.183	2	↓ MOL2 SDF SMILES Flexibase

70116402

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,6-dichloro-N-[(1R,2R,4S)-2,4-dimethylcyclohexyl]-1,3,5-triazin-2-amine 4,6-dichloro-N-[(1R,2R,4S)-2,4-d…

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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)	4.05	8.72	-2.56	1	4	0	51	275.183	2	↓ MOL2 SDF SMILES Flexibase

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SQL Query Was

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