ZINC 12

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)	4.86	7.9	-3.9	1	2	0	25	232.371	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.86	8.33	-31.22	2	2	1	26	233.379	3	↓ MOL2 SDF SMILES Flexibase

19993132

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2R)-2-tert-butylcyclohexyl]pyridin-3-amine N-[(1S,2R)-2-tert-butylcyclohexy…

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)	4.86	7.6	-4.17	1	2	0	25	232.371	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.86	8.03	-31	2	2	1	26	233.379	3	↓ MOL2 SDF SMILES Flexibase

19993135

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2S)-2-tert-butylcyclohexyl]pyridin-3-amine N-[(1R,2S)-2-tert-butylcyclohexy…

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)	4.86	7.61	-4.14	1	2	0	25	232.371	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.86	8.03	-31.02	2	2	1	26	233.379	3	↓ MOL2 SDF SMILES Flexibase

19993138

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2R)-2-tert-butylcyclohexyl]pyridin-3-amine N-[(1R,2R)-2-tert-butylcyclohexy…

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)	4.86	7.91	-3.87	1	2	0	25	232.371	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.86	8.33	-31.17	2	2	1	26	233.379	3	↓ MOL2 SDF SMILES Flexibase

19994393

Analogs

19884149
19884157

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-tert-butylcyclohexyl)pyridin-3-amine N-(4-tert-butylcyclohexyl)pyridi…

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)	4.39	7.23	-4.34	1	2	0	25	232.371	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.39	7.67	-30.33	2	2	1	26	233.379	3	↓ MOL2 SDF SMILES Flexibase

36978165

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(2-methoxyethoxy)-N-(4-methylcyclohexyl)pyridin-3-amine 6-(2-methoxyethoxy)-N-(4-methylc…

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)	3.36	4.45	-6.03	1	4	0	43	264.369	6	↓ MOL2 SDF SMILES Flexibase

36978175

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-ethylcyclohexyl)-6-(2-methoxyethoxy)pyridin-3-amine N-(4-ethylcyclohexyl)-6-(2-metho…

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)	4.04	4.81	-6.07	1	4	0	43	278.396	7	↓ MOL2 SDF SMILES Flexibase

36978187

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(2-methoxyethoxy)-N-[(1S,2R)-2-methylcyclohexyl]pyridin-3-amine 6-(2-methoxyethoxy)-N-[(1S,2R)-2…

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)	3.83	4.62	-5.89	1	4	0	43	264.369	6	↓ MOL2 SDF SMILES Flexibase

36978189

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(2-methoxyethoxy)-N-[(1S,2S)-2-methylcyclohexyl]pyridin-3-amine 6-(2-methoxyethoxy)-N-[(1S,2S)-2…

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)	3.83	4.32	-5.96	1	4	0	43	264.369	6	↓ MOL2 SDF SMILES Flexibase

36978191

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(2-methoxyethoxy)-N-[(1R,2R)-2-methylcyclohexyl]pyridin-3-amine 6-(2-methoxyethoxy)-N-[(1R,2R)-2…

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)	3.83	4.32	-5.96	1	4	0	43	264.369	6	↓ MOL2 SDF SMILES Flexibase

36978193

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(2-methoxyethoxy)-N-[(1R,2S)-2-methylcyclohexyl]pyridin-3-amine 6-(2-methoxyethoxy)-N-[(1R,2S)-2…

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)	3.83	4.62	-5.85	1	4	0	43	264.369	6	↓ MOL2 SDF SMILES Flexibase

36978195

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(2-methoxyethoxy)-N-[(1S,3R)-3-methylcyclohexyl]pyridin-3-amine 6-(2-methoxyethoxy)-N-[(1S,3R)-3…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.59	4.16	-6.06	1	4	0	43	264.369	6	↓ MOL2 SDF SMILES Flexibase

36978197

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(2-methoxyethoxy)-N-[(1S,3S)-3-methylcyclohexyl]pyridin-3-amine 6-(2-methoxyethoxy)-N-[(1S,3S)-3…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.59	4.46	-5.99	1	4	0	43	264.369	6	↓ MOL2 SDF SMILES Flexibase

36978199

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(2-methoxyethoxy)-N-[(1R,3R)-3-methylcyclohexyl]pyridin-3-amine 6-(2-methoxyethoxy)-N-[(1R,3R)-3…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.59	4.46	-5.98	1	4	0	43	264.369	6	↓ MOL2 SDF SMILES Flexibase

36978201

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(2-methoxyethoxy)-N-[(1R,3S)-3-methylcyclohexyl]pyridin-3-amine 6-(2-methoxyethoxy)-N-[(1R,3S)-3…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.59	4.16	-6.09	1	4	0	43	264.369	6	↓ MOL2 SDF SMILES Flexibase

36978203

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S,6R)-2,6-dimethylcyclohexyl]-6-(2-methoxyethoxy)pyridin-3-amine N-[(2S,6R)-2,6-dimethylcyclohexy…

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)	4.07	4.9	-5.78	1	4	0	43	278.396	6	↓ MOL2 SDF SMILES Flexibase

36978205

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S,6S)-2,6-dimethylcyclohexyl]-6-(2-methoxyethoxy)pyridin-3-amine N-[(2S,6S)-2,6-dimethylcyclohexy…

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)	4.07	4.88	-6.05	1	4	0	43	278.396	6	↓ MOL2 SDF SMILES Flexibase

36978207

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R,6R)-2,6-dimethylcyclohexyl]-6-(2-methoxyethoxy)pyridin-3-amine N-[(2R,6R)-2,6-dimethylcyclohexy…

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)	4.07	4.88	-5.96	1	4	0	43	278.396	6	↓ MOL2 SDF SMILES Flexibase

36978298

Analogs

13474762

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclohexyl-6-(2-methoxyethoxy)pyridin-3-amine N-cyclohexyl-6-(2-methoxyethoxy)…

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)	3.59	3.55	-6.15	1	4	0	43	250.342	6	↓ MOL2 SDF SMILES Flexibase

36978308

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(2-methoxyethoxy)-N-[(1S,5S)-3,3,5-trimethylcyclohexyl]pyridin-3-amine 6-(2-methoxyethoxy)-N-[(1S,5S)-3…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.25	5.03	-5.96	1	4	0	43	292.423	6	↓ MOL2 SDF SMILES Flexibase

36978310

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(2-methoxyethoxy)-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]pyridin-3-amine 6-(2-methoxyethoxy)-N-[(1S,5R)-3…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.25	5.6	-6.05	1	4	0	43	292.423	6	↓ MOL2 SDF SMILES Flexibase

36978312

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(2-methoxyethoxy)-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]pyridin-3-amine 6-(2-methoxyethoxy)-N-[(1R,5S)-3…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.25	5.6	-6.14	1	4	0	43	292.423	6	↓ MOL2 SDF SMILES Flexibase

36978314

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(2-methoxyethoxy)-N-[(1R,5R)-3,3,5-trimethylcyclohexyl]pyridin-3-amine 6-(2-methoxyethoxy)-N-[(1R,5R)-3…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.25	5.03	-5.94	1	4	0	43	292.423	6	↓ MOL2 SDF SMILES Flexibase

37070434

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(1,1-dimethylpropyl)cyclohexyl]-2-methoxy-pyridin-3-amine N-[4-(1,1-dimethylpropyl)cyclohe…

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)	4.91	6.02	-4.13	1	3	0	34	276.424	5	↓ MOL2 SDF SMILES Flexibase

37070435

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-(4-methylcyclohexyl)pyridin-3-amine 2-methoxy-N-(4-methylcyclohexyl)…

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	4.44	-4.5	1	3	0	34	220.316	3	↓ MOL2 SDF SMILES Flexibase

37070440

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-ethylcyclohexyl)-2-methoxy-pyridin-3-amine N-(4-ethylcyclohexyl)-2-methoxy-…

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)	3.93	4.8	-4.18	1	3	0	34	234.343	4	↓ MOL2 SDF SMILES Flexibase

37070442

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-tert-butylcyclohexyl)-2-methoxy-pyridin-3-amine N-(4-tert-butylcyclohexyl)-2-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)	4.58	5.84	-4.12	1	3	0	34	262.397	4	↓ MOL2 SDF SMILES Flexibase

37070449

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-[(1S,2R)-2-methylcyclohexyl]pyridin-3-amine 2-methoxy-N-[(1S,2R)-2-methylcyc…

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)	3.72	4.61	-4.28	1	3	0	34	220.316	3	↓ MOL2 SDF SMILES Flexibase

37070450

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-[(1S,2S)-2-methylcyclohexyl]pyridin-3-amine 2-methoxy-N-[(1S,2S)-2-methylcyc…

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)	3.72	4.31	-4.11	1	3	0	34	220.316	3	↓ MOL2 SDF SMILES Flexibase

37070451

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-[(1R,2R)-2-methylcyclohexyl]pyridin-3-amine 2-methoxy-N-[(1R,2R)-2-methylcyc…

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)	3.72	4.3	-4.07	1	3	0	34	220.316	3	↓ MOL2 SDF SMILES Flexibase

37070452

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-[(1R,2S)-2-methylcyclohexyl]pyridin-3-amine 2-methoxy-N-[(1R,2S)-2-methylcyc…

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)	3.72	4.61	-4.27	1	3	0	34	220.316	3	↓ MOL2 SDF SMILES Flexibase

37070453

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2S)-2-tert-butylcyclohexyl]-2-methoxy-pyridin-3-amine N-[(1S,2S)-2-tert-butylcyclohexy…

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)	5.04	6.56	-3.86	1	3	0	34	262.397	4	↓ MOL2 SDF SMILES Flexibase

37070454

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2R)-2-tert-butylcyclohexyl]-2-methoxy-pyridin-3-amine N-[(1S,2R)-2-tert-butylcyclohexy…

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)	5.04	6.25	-3.74	1	3	0	34	262.397	4	↓ MOL2 SDF SMILES Flexibase

37070455

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2S)-2-tert-butylcyclohexyl]-2-methoxy-pyridin-3-amine N-[(1R,2S)-2-tert-butylcyclohexy…

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)	5.04	6.25	-3.78	1	3	0	34	262.397	4	↓ MOL2 SDF SMILES Flexibase

37070456

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2R)-2-tert-butylcyclohexyl]-2-methoxy-pyridin-3-amine N-[(1R,2R)-2-tert-butylcyclohexy…

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)	5.04	6.54	-3.86	1	3	0	34	262.397	4	↓ MOL2 SDF SMILES Flexibase

37070457

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-[(1S,3R)-3-methylcyclohexyl]pyridin-3-amine 2-methoxy-N-[(1S,3R)-3-methylcyc…

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)	3.48	4.15	-4.19	1	3	0	34	220.316	3	↓ MOL2 SDF SMILES Flexibase

37070458

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-[(1S,3S)-3-methylcyclohexyl]pyridin-3-amine 2-methoxy-N-[(1S,3S)-3-methylcyc…

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)	3.48	4.45	-4.42	1	3	0	34	220.316	3	↓ MOL2 SDF SMILES Flexibase

37070459

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-[(1R,3R)-3-methylcyclohexyl]pyridin-3-amine 2-methoxy-N-[(1R,3R)-3-methylcyc…

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)	3.48	4.45	-4.41	1	3	0	34	220.316	3	↓ MOL2 SDF SMILES Flexibase

37070460

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-[(1R,3S)-3-methylcyclohexyl]pyridin-3-amine 2-methoxy-N-[(1R,3S)-3-methylcyc…

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)	3.48	4.15	-4.17	1	3	0	34	220.316	3	↓ MOL2 SDF SMILES Flexibase

37070462

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S,6R)-2,6-dimethylcyclohexyl]-2-methoxy-pyridin-3-amine N-[(2S,6R)-2,6-dimethylcyclohexy…

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)	3.96	5.14	-3.87	1	3	0	34	234.343	3	↓ MOL2 SDF SMILES Flexibase

37070463

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S,6S)-2,6-dimethylcyclohexyl]-2-methoxy-pyridin-3-amine N-[(2S,6S)-2,6-dimethylcyclohexy…

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)	3.96	4.86	-3.94	1	3	0	34	234.343	3	↓ MOL2 SDF SMILES Flexibase

37070464

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R,6R)-2,6-dimethylcyclohexyl]-2-methoxy-pyridin-3-amine N-[(2R,6R)-2,6-dimethylcyclohexy…

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)	3.96	4.86	-3.93	1	3	0	34	234.343	3	↓ MOL2 SDF SMILES Flexibase

37070465

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2R,5R)-2-isopropyl-5-methyl-cyclohexyl]-2-methoxy-pyridin-3-amine N-[(1R,2R,5R)-2-isopropyl-5-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)	5.23	6.34	-3.88	1	3	0	34	262.397	4	↓ MOL2 SDF SMILES Flexibase

37070466

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2R,5S)-2-isopropyl-5-methyl-cyclohexyl]-2-methoxy-pyridin-3-amine N-[(1R,2R,5S)-2-isopropyl-5-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)	5.23	6.3	-4.04	1	3	0	34	262.397	4	↓ MOL2 SDF SMILES Flexibase

37070467

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl]-2-methoxy-pyridin-3-amine N-[(1R,2S,5R)-2-isopropyl-5-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)	5.23	5.89	-3.94	1	3	0	34	262.397	4	↓ MOL2 SDF SMILES Flexibase

37070468

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2S,5S)-2-isopropyl-5-methyl-cyclohexyl]-2-methoxy-pyridin-3-amine N-[(1R,2S,5S)-2-isopropyl-5-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)	5.23	5.67	-3.95	1	3	0	34	262.397	4	↓ MOL2 SDF SMILES Flexibase

37070595

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclohexyl-2-methoxypyridin-3-amine N-cyclohexyl-2-methoxypyridin-3-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.48	3.53	-4.32	1	3	0	34	206.289	3	↓ MOL2 SDF SMILES Flexibase

37070606

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-[(1S,5S)-3,3,5-trimethylcyclohexyl]pyridin-3-amine 2-methoxy-N-[(1S,5S)-3,3,5-trime…

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)	4.14	5.04	-4.1	1	3	0	34	248.37	3	↓ MOL2 SDF SMILES Flexibase

37070607

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]pyridin-3-amine 2-methoxy-N-[(1S,5R)-3,3,5-trime…

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)	4.14	5.59	-4.14	1	3	0	34	248.37	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 38710
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 = 38710 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=38710&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": "38710"        

    });
</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