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)	-0.19	5.43	-39.65	2	5	1	57	239.343	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	-0.19	5.86	-79.88	3	5	2	58	240.351	5	↓ MOL2 SDF SMILES Flexibase

52574475

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R,5R)-5-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]tetrahydrofuran-2-yl]methyl]ethanamine N-[[(2R,5R)-5-[(3,5-dimethyl-1,2…

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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)	-0.19	5.5	-39.01	2	5	1	57	239.343	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	-0.19	5.93	-79.25	3	5	2	58	240.351	5	↓ MOL2 SDF SMILES Flexibase

52574476

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S,5S)-5-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]tetrahydrofuran-2-yl]methyl]ethanamine N-[[(2S,5S)-5-[(3,5-dimethyl-1,2…

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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)	-0.19	5.5	-42.65	2	5	1	57	239.343	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	-0.19	5.94	-86.06	3	5	2	58	240.351	5	↓ MOL2 SDF SMILES Flexibase

52574477

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R,5S)-5-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]tetrahydrofuran-2-yl]methyl]ethanamine N-[[(2R,5S)-5-[(3,5-dimethyl-1,2…

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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)	-0.19	5.46	-44.01	2	5	1	57	239.343	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	-0.19	5.89	-87.55	3	5	2	58	240.351	5	↓ MOL2 SDF SMILES Flexibase

52574478

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S,5R)-5-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]tetrahydrofuran-2-yl]methyl]propan-1-amine N-[[(2S,5R)-5-[(3,5-dimethyl-1,2…

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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)	0.31	6.18	-40.37	2	5	1	57	253.37	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.31	6.61	-81.05	3	5	2	58	254.378	6	↓ MOL2 SDF SMILES Flexibase

52574479

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R,5R)-5-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]tetrahydrofuran-2-yl]methyl]propan-1-amine N-[[(2R,5R)-5-[(3,5-dimethyl-1,2…

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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)	0.31	6.25	-39.7	2	5	1	57	253.37	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.31	6.68	-80.48	3	5	2	58	254.378	6	↓ MOL2 SDF SMILES Flexibase

52574480

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S,5S)-5-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]tetrahydrofuran-2-yl]methyl]propan-1-amine N-[[(2S,5S)-5-[(3,5-dimethyl-1,2…

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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)	0.31	6.27	-43.55	2	5	1	57	253.37	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.31	6.7	-87.69	3	5	2	58	254.378	6	↓ MOL2 SDF SMILES Flexibase

52574481

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R,5S)-5-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]tetrahydrofuran-2-yl]methyl]propan-1-amine N-[[(2R,5S)-5-[(3,5-dimethyl-1,2…

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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)	0.31	6.21	-44.86	2	5	1	57	253.37	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.31	6.64	-89.1	3	5	2	58	254.378	6	↓ MOL2 SDF SMILES Flexibase

52574482

Analogs

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Popular Name: N-[[(2R,5S)-5-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]tetrahydrofuran-2-yl]methyl]propan-2-amine N-[[(2R,5S)-5-[(3,5-dimethyl-1,2…

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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)	0.45	5.98	-38.12	2	5	1	57	253.37	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.45	6.4	-78.61	3	5	2	58	254.378	5	↓ MOL2 SDF SMILES Flexibase

52574483

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R,5R)-5-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]tetrahydrofuran-2-yl]methyl]propan-2-amine N-[[(2R,5R)-5-[(3,5-dimethyl-1,2…

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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)	0.45	6.06	-41.51	2	5	1	57	253.37	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.45	6.5	-85.5	3	5	2	58	254.378	5	↓ MOL2 SDF SMILES Flexibase

52574484

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S,5S)-5-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]tetrahydrofuran-2-yl]methyl]propan-2-amine N-[[(2S,5S)-5-[(3,5-dimethyl-1,2…

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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)	0.45	5.99	-37.89	2	5	1	57	253.37	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.45	6.42	-78.52	3	5	2	58	254.378	5	↓ MOL2 SDF SMILES Flexibase

52574485

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S,5R)-5-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]tetrahydrofuran-2-yl]methyl]propan-2-amine N-[[(2S,5R)-5-[(3,5-dimethyl-1,2…

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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)	0.45	5.95	-42.59	2	5	1	57	253.37	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.45	6.38	-86.73	3	5	2	58	254.378	5	↓ MOL2 SDF SMILES Flexibase

52574490

Analogs

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Popular Name: N-[[(2R,5S)-5-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]tetrahydrofuran-2-yl]methyl]-2-methyl-propan- N-[[(2R,5S)-5-[(3,5-dimethyl-1,2…

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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)	0.97	6.41	-36.45	2	5	1	57	267.397	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.97	6.84	-77.67	3	5	2	58	268.405	5	↓ MOL2 SDF SMILES Flexibase

52574491

Analogs

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Popular Name: N-[[(2R,5R)-5-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]tetrahydrofuran-2-yl]methyl]-2-methyl-propan- N-[[(2R,5R)-5-[(3,5-dimethyl-1,2…

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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)	0.97	6.48	-39.97	2	5	1	57	267.397	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.97	6.92	-84.73	3	5	2	58	268.405	5	↓ MOL2 SDF SMILES Flexibase

52574492

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S,5S)-5-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]tetrahydrofuran-2-yl]methyl]-2-methyl-propan- N-[[(2S,5S)-5-[(3,5-dimethyl-1,2…

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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)	0.97	6.42	-37	2	5	1	57	267.397	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.97	6.85	-77.59	3	5	2	58	268.405	5	↓ MOL2 SDF SMILES Flexibase

52574493

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S,5R)-5-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]tetrahydrofuran-2-yl]methyl]-2-methyl-propan- N-[[(2S,5R)-5-[(3,5-dimethyl-1,2…

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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)	0.97	6.38	-41.15	2	5	1	57	267.397	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.97	6.78	-85.57	3	5	2	58	268.405	5	↓ MOL2 SDF SMILES Flexibase

52574494

Analogs

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Popular Name: N-[[(2R,5S)-5-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]tetrahydrofuran-2-yl]methyl]-2-methyl-propan- N-[[(2R,5S)-5-[(3,5-dimethyl-1,2…

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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)	0.55	6.9	-39.81	2	5	1	57	267.397	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.55	7.33	-80.85	3	5	2	58	268.405	6	↓ MOL2 SDF SMILES Flexibase

52574495

Analogs

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Popular Name: N-[[(2R,5R)-5-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]tetrahydrofuran-2-yl]methyl]-2-methyl-propan- N-[[(2R,5R)-5-[(3,5-dimethyl-1,2…

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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)	0.55	6.98	-43.22	2	5	1	57	267.397	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.55	7.41	-88.17	3	5	2	58	268.405	6	↓ MOL2 SDF SMILES Flexibase

52574496

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S,5S)-5-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]tetrahydrofuran-2-yl]methyl]-2-methyl-propan- N-[[(2S,5S)-5-[(3,5-dimethyl-1,2…

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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)	0.55	6.9	-40	2	5	1	57	267.397	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.55	7.33	-80.73	3	5	2	58	268.405	6	↓ MOL2 SDF SMILES Flexibase

52574497

Analogs

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Popular Name: N-[[(2S,5R)-5-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]tetrahydrofuran-2-yl]methyl]-2-methyl-propan- N-[[(2S,5R)-5-[(3,5-dimethyl-1,2…

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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)	0.55	6.86	-44.92	2	5	1	57	267.397	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.55	7.29	-89.15	3	5	2	58	268.405	6	↓ MOL2 SDF SMILES Flexibase

52575164

Analogs

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Popular Name: [(2R,5S)-5-(1,2,4-triazol-1-ylmethyl)tetrahydrofuran-2-yl]methanamine [(2R,5S)-5-(1,2,4-triazol-1-ylme…

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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)	-1.37	3.2	-42.95	3	5	1	68	183.235	3	↓ MOL2 SDF SMILES Flexibase

52575165

Analogs

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Popular Name: [(2R,5R)-5-(1,2,4-triazol-1-ylmethyl)tetrahydrofuran-2-yl]methanamine [(2R,5R)-5-(1,2,4-triazol-1-ylme…

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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)	-1.37	3.11	-43.44	3	5	1	68	183.235	3	↓ MOL2 SDF SMILES Flexibase

52575166

Analogs

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Popular Name: [(2S,5S)-5-(1,2,4-triazol-1-ylmethyl)tetrahydrofuran-2-yl]methanamine [(2S,5S)-5-(1,2,4-triazol-1-ylme…

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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)	-1.37	3.23	-43.37	3	5	1	68	183.235	3	↓ MOL2 SDF SMILES Flexibase

52575167

Analogs

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Popular Name: [(2S,5R)-5-(1,2,4-triazol-1-ylmethyl)tetrahydrofuran-2-yl]methanamine [(2S,5R)-5-(1,2,4-triazol-1-ylme…

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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)	-1.37	2.99	-45.3	3	5	1	68	183.235	3	↓ MOL2 SDF SMILES Flexibase

52575214

Analogs

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Popular Name: N-methyl-1-[(2S,5R)-5-(1,2,4-triazol-1-ylmethyl)tetrahydrofuran-2-yl]methanamine N-methyl-1-[(2S,5R)-5-(1,2,4-tri…

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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)	-0.39	4.9	-41.16	2	5	1	57	197.262	4	↓ MOL2 SDF SMILES Flexibase

52575215

Analogs

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Popular Name: N-methyl-1-[(2R,5R)-5-(1,2,4-triazol-1-ylmethyl)tetrahydrofuran-2-yl]methanamine N-methyl-1-[(2R,5R)-5-(1,2,4-tri…

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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)	-0.39	4.98	-41.76	2	5	1	57	197.262	4	↓ MOL2 SDF SMILES Flexibase

52575216

Analogs

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Popular Name: N-methyl-1-[(2S,5S)-5-(1,2,4-triazol-1-ylmethyl)tetrahydrofuran-2-yl]methanamine N-methyl-1-[(2S,5S)-5-(1,2,4-tri…

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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)	-0.39	5.09	-38.22	2	5	1	57	197.262	4	↓ MOL2 SDF SMILES Flexibase

52575217

Analogs

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Popular Name: N-methyl-1-[(2R,5S)-5-(1,2,4-triazol-1-ylmethyl)tetrahydrofuran-2-yl]methanamine N-methyl-1-[(2R,5S)-5-(1,2,4-tri…

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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)	-0.39	5.04	-38.49	2	5	1	57	197.262	4	↓ MOL2 SDF SMILES Flexibase

52575218

Analogs

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Popular Name: N-[[(2S,5R)-5-(1,2,4-triazol-1-ylmethyl)tetrahydrofuran-2-yl]methyl]ethanamine N-[[(2S,5R)-5-(1,2,4-triazol-1-y…

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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)	-0.37	5.76	-40.67	2	5	1	57	211.289	5	↓ MOL2 SDF SMILES Flexibase

52575219

Analogs

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Popular Name: N-[[(2R,5R)-5-(1,2,4-triazol-1-ylmethyl)tetrahydrofuran-2-yl]methyl]ethanamine N-[[(2R,5R)-5-(1,2,4-triazol-1-y…

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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)	-0.37	5.83	-41.02	2	5	1	57	211.289	5	↓ MOL2 SDF SMILES Flexibase

52575220

Analogs

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Popular Name: N-[[(2S,5S)-5-(1,2,4-triazol-1-ylmethyl)tetrahydrofuran-2-yl]methyl]ethanamine N-[[(2S,5S)-5-(1,2,4-triazol-1-y…

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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)	-0.37	5.94	-37.53	2	5	1	57	211.289	5	↓ MOL2 SDF SMILES Flexibase

52575221

Analogs

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Popular Name: N-[[(2R,5S)-5-(1,2,4-triazol-1-ylmethyl)tetrahydrofuran-2-yl]methyl]ethanamine N-[[(2R,5S)-5-(1,2,4-triazol-1-y…

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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)	-0.37	5.89	-37.89	2	5	1	57	211.289	5	↓ MOL2 SDF SMILES Flexibase

52575222

Analogs

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Popular Name: N-[[(2S,5R)-5-(1,2,4-triazol-1-ylmethyl)tetrahydrofuran-2-yl]methyl]propan-1-amine N-[[(2S,5R)-5-(1,2,4-triazol-1-y…

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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)	0.13	6.51	-41.46	2	5	1	57	225.316	6	↓ MOL2 SDF SMILES Flexibase

52575223

Analogs

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Popular Name: N-[[(2R,5R)-5-(1,2,4-triazol-1-ylmethyl)tetrahydrofuran-2-yl]methyl]propan-1-amine N-[[(2R,5R)-5-(1,2,4-triazol-1-y…

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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)	0.13	6.58	-41.89	2	5	1	57	225.316	6	↓ MOL2 SDF SMILES Flexibase

52575224

Analogs

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Popular Name: N-[[(2S,5S)-5-(1,2,4-triazol-1-ylmethyl)tetrahydrofuran-2-yl]methyl]propan-1-amine N-[[(2S,5S)-5-(1,2,4-triazol-1-y…

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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)	0.13	6.69	-38.23	2	5	1	57	225.316	6	↓ MOL2 SDF SMILES Flexibase

52575225

Analogs

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Popular Name: N-[[(2R,5S)-5-(1,2,4-triazol-1-ylmethyl)tetrahydrofuran-2-yl]methyl]propan-1-amine N-[[(2R,5S)-5-(1,2,4-triazol-1-y…

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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)	0.13	6.64	-38.53	2	5	1	57	225.316	6	↓ MOL2 SDF SMILES Flexibase

52575226

Analogs

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Popular Name: N-[[(2S,5R)-5-(1,2,4-triazol-1-ylmethyl)tetrahydrofuran-2-yl]methyl]propan-2-amine N-[[(2S,5R)-5-(1,2,4-triazol-1-y…

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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)	0.28	6.28	-39.56	2	5	1	57	225.316	5	↓ MOL2 SDF SMILES Flexibase

52575227

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R,5R)-5-(1,2,4-triazol-1-ylmethyl)tetrahydrofuran-2-yl]methyl]propan-2-amine N-[[(2R,5R)-5-(1,2,4-triazol-1-y…

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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)	0.28	6.36	-39.58	2	5	1	57	225.316	5	↓ MOL2 SDF SMILES Flexibase

52575228

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S,5S)-5-(1,2,4-triazol-1-ylmethyl)tetrahydrofuran-2-yl]methyl]propan-2-amine N-[[(2S,5S)-5-(1,2,4-triazol-1-y…

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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)	0.28	6.46	-36.72	2	5	1	57	225.316	5	↓ MOL2 SDF SMILES Flexibase

52575229

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R,5S)-5-(1,2,4-triazol-1-ylmethyl)tetrahydrofuran-2-yl]methyl]propan-2-amine N-[[(2R,5S)-5-(1,2,4-triazol-1-y…

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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)	0.28	6.42	-36.34	2	5	1	57	225.316	5	↓ MOL2 SDF SMILES Flexibase

52575234

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[(2S,5R)-5-(1,2,4-triazol-1-ylmethyl)tetrahydrofuran-2-yl]methyl]propan-2-amine 2-methyl-N-[[(2S,5R)-5-(1,2,4-tr…

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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)	0.79	6.71	-37.9	2	5	1	57	239.343	5	↓ MOL2 SDF SMILES Flexibase

52575235

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[(2R,5R)-5-(1,2,4-triazol-1-ylmethyl)tetrahydrofuran-2-yl]methyl]propan-2-amine 2-methyl-N-[[(2R,5R)-5-(1,2,4-tr…

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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)	0.79	6.79	-38.67	2	5	1	57	239.343	5	↓ MOL2 SDF SMILES Flexibase

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