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ZINC Item

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52574352

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-3-furyl]-N-methyl-methanamine 1-[2-[(3,5-dimethyl-1,2,4-triazo…

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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)	-0.03	5.29	-42.47	2	5	1	60	221.284	4	↓ MOL2 SDF SMILES Flexibase

52574353

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-3-furyl]methyl]ethanamine N-[[2-[(3,5-dimethyl-1,2,4-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)	0.35	6.47	-35.4	2	5	1	60	235.311	5	↓ MOL2 SDF SMILES Flexibase

52574354

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-3-furyl]methyl]propan-1-amine N-[[2-[(3,5-dimethyl-1,2,4-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)	0.85	7.22	-35.71	2	5	1	60	249.338	6	↓ MOL2 SDF SMILES Flexibase

52574355

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-3-furyl]methyl]propan-2-amine N-[[2-[(3,5-dimethyl-1,2,4-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)	0.65	6.68	-39.67	2	5	1	60	249.338	5	↓ MOL2 SDF SMILES Flexibase

52574357

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-3-furyl]methyl]-2-methyl-propan-2-amine N-[[2-[(3,5-dimethyl-1,2,4-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)	1.16	7.1	-38.15	2	5	1	60	263.365	5	↓ MOL2 SDF SMILES Flexibase

52574358

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-3-furyl]methyl]-2-methyl-propan-1-amine N-[[2-[(3,5-dimethyl-1,2,4-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)	1.10	7.61	-41.62	2	5	1	60	263.365	6	↓ MOL2 SDF SMILES Flexibase

52574359

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[5-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-2-methyl-3-furyl]-N-methyl-methanamine 1-[5-[(3,5-dimethyl-1,2,4-triazo…

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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)	0.20	6.14	-49.44	2	5	1	60	235.311	4	↓ MOL2 SDF SMILES Flexibase

52574360

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-2-methyl-3-furyl]methyl]ethanamine N-[[5-[(3,5-dimethyl-1,2,4-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)	0.57	6.99	-48.76	2	5	1	60	249.338	5	↓ MOL2 SDF SMILES Flexibase

52574361

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-2-methyl-3-furyl]methyl]propan-1-amine N-[[5-[(3,5-dimethyl-1,2,4-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)	1.07	7.75	-49.52	2	5	1	60	263.365	6	↓ MOL2 SDF SMILES Flexibase

52574362

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-2-methyl-3-furyl]methyl]propan-2-amine N-[[5-[(3,5-dimethyl-1,2,4-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)	0.87	7.52	-47.06	2	5	1	60	263.365	5	↓ MOL2 SDF SMILES Flexibase

52574364

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-2-methyl-3-furyl]methyl]-2-methyl-propan-2-amine N-[[5-[(3,5-dimethyl-1,2,4-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)	1.38	7.93	-45.29	2	5	1	60	277.392	5	↓ MOL2 SDF SMILES Flexibase

52574365

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-2-methyl-3-furyl]methyl]-2-methyl-propan-1-amine N-[[5-[(3,5-dimethyl-1,2,4-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)	1.32	8.45	-49.5	2	5	1	60	277.392	6	↓ MOL2 SDF SMILES Flexibase

52574366

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[5-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-2-furyl]-N-methyl-methanamine 1-[5-[(3,5-dimethyl-1,2,4-triazo…

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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	5.48	-47.84	2	5	1	60	221.284	4	↓ MOL2 SDF SMILES Flexibase

52574367

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-2-furyl]methyl]ethanamine N-[[5-[(3,5-dimethyl-1,2,4-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)	0.66	6.34	-45.53	2	5	1	60	235.311	5	↓ MOL2 SDF SMILES Flexibase

52574368

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-2-furyl]methyl]propan-1-amine N-[[5-[(3,5-dimethyl-1,2,4-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)	1.16	7.09	-46.39	2	5	1	60	249.338	6	↓ MOL2 SDF SMILES Flexibase

52574369

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-2-furyl]methyl]propan-2-amine N-[[5-[(3,5-dimethyl-1,2,4-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)	0.96	6.85	-45.31	2	5	1	60	249.338	5	↓ MOL2 SDF SMILES Flexibase

52574371

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-2-furyl]methyl]-2-methyl-propan-2-amine N-[[5-[(3,5-dimethyl-1,2,4-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)	1.47	7.28	-43.25	2	5	1	60	263.365	5	↓ MOL2 SDF SMILES Flexibase

52574372

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-2-furyl]methyl]-2-methyl-propan-1-amine N-[[5-[(3,5-dimethyl-1,2,4-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)	1.41	7.79	-47.79	2	5	1	60	263.365	6	↓ MOL2 SDF SMILES Flexibase

52574378

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-2-furyl]methanamine [5-[(3,5-dimethyl-1,2,4-triazol-…

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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)	-0.09	3.61	-53.56	3	5	1	72	207.257	3	↓ MOL2 SDF SMILES Flexibase

52574379

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-2-methyl-3-furyl]methanamine [5-[(3,5-dimethyl-1,2,4-triazol-…

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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)	-0.18	4.27	-54.84	3	5	1	72	221.284	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.18	3.87	-12.15	2	5	0	70	220.276	3	↓ MOL2 SDF SMILES Flexibase

52574380

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-3-furyl]methanamine [2-[(3,5-dimethyl-1,2,4-triazol-…

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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)	-0.40	3.42	-47.72	3	5	1	72	207.257	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.40	2.99	-8.87	2	5	0	70	206.249	3	↓ MOL2 SDF SMILES Flexibase

52574421

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-3-methyl-2-furyl]methanamine [5-[(3,5-dimethyl-1,2,4-triazol-…

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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)	0.29	4.23	-51.77	3	5	1	72	221.284	3	↓ MOL2 SDF SMILES Flexibase

52574432

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-3-furyl]methanamine [5-[(3,5-dimethyl-1,2,4-triazol-…

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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)	-0.40	3.44	-50.12	3	5	1	72	207.257	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.40	3.04	-10.05	2	5	0	70	206.249	3	↓ MOL2 SDF SMILES Flexibase

52574433

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[5-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-3-furyl]-N-methyl-methanamine 1-[5-[(3,5-dimethyl-1,2,4-triazo…

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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)	-0.03	5.31	-45.06	2	5	1	60	221.284	4	↓ MOL2 SDF SMILES Flexibase

52574434

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-3-furyl]methyl]ethanamine N-[[5-[(3,5-dimethyl-1,2,4-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)	0.35	6.18	-48.32	2	5	1	60	235.311	5	↓ MOL2 SDF SMILES Flexibase

52574435

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-3-furyl]methyl]propan-1-amine N-[[5-[(3,5-dimethyl-1,2,4-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)	0.85	6.93	-49.14	2	5	1	60	249.338	6	↓ MOL2 SDF SMILES Flexibase

52574436

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-3-furyl]methyl]propan-2-amine N-[[5-[(3,5-dimethyl-1,2,4-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)	0.65	6.7	-42.73	2	5	1	60	249.338	5	↓ MOL2 SDF SMILES Flexibase

52574438

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-3-furyl]methyl]-2-methyl-propan-2-amine N-[[5-[(3,5-dimethyl-1,2,4-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)	1.16	7.12	-41.34	2	5	1	60	263.365	5	↓ MOL2 SDF SMILES Flexibase

52574439

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-3-furyl]methyl]-2-methyl-propan-1-amine N-[[5-[(3,5-dimethyl-1,2,4-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)	1.10	7.62	-45.04	2	5	1	60	263.365	6	↓ MOL2 SDF SMILES Flexibase

52574554

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[5-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-3-methyl-2-furyl]-N-methyl-methanamine 1-[5-[(3,5-dimethyl-1,2,4-triazo…

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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)	0.66	6.1	-46.24	2	5	1	60	235.311	4	↓ MOL2 SDF SMILES Flexibase

52574555

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-3-methyl-2-furyl]methyl]ethanamine N-[[5-[(3,5-dimethyl-1,2,4-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)	1.04	6.96	-45.13	2	5	1	60	249.338	5	↓ MOL2 SDF SMILES Flexibase

52574556

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-3-methyl-2-furyl]methyl]propan-1-amine N-[[5-[(3,5-dimethyl-1,2,4-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)	1.54	7.71	-45.98	2	5	1	60	263.365	6	↓ MOL2 SDF SMILES Flexibase

52574557

Analogs

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Popular Name: N-[[5-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-3-methyl-2-furyl]methyl]propan-2-amine N-[[5-[(3,5-dimethyl-1,2,4-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)	1.33	7.48	-43.76	2	5	1	60	263.365	5	↓ MOL2 SDF SMILES Flexibase

52574559

Analogs

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Popular Name: N-[[5-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-3-methyl-2-furyl]methyl]-2-methyl-propan-2-amine N-[[5-[(3,5-dimethyl-1,2,4-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)	1.85	7.92	-41.77	2	5	1	60	277.392	5	↓ MOL2 SDF SMILES Flexibase

52574560

Analogs

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Popular Name: N-[[5-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-3-methyl-2-furyl]methyl]-2-methyl-propan-1-amine N-[[5-[(3,5-dimethyl-1,2,4-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)	1.78	8.41	-45.68	2	5	1	60	277.392	6	↓ MOL2 SDF SMILES Flexibase

52575070

Analogs

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Popular Name: N-methyl-1-[2-(1,2,4-triazol-1-ylmethyl)-3-furyl]methanamine N-methyl-1-[2-(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)	-0.20	5.64	-43.51	2	5	1	60	193.23	4	↓ MOL2 SDF SMILES Flexibase

52575071

Analogs

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Popular Name: N-[[2-(1,2,4-triazol-1-ylmethyl)-3-furyl]methyl]ethanamine N-[[2-(1,2,4-triazol-1-ylmethyl)…

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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)	0.18	6.51	-42.13	2	5	1	60	207.257	5	↓ MOL2 SDF SMILES Flexibase

52575072

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(1,2,4-triazol-1-ylmethyl)-3-furyl]methyl]propan-1-amine N-[[2-(1,2,4-triazol-1-ylmethyl)…

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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)	0.68	7.26	-42.99	2	5	1	60	221.284	6	↓ MOL2 SDF SMILES Flexibase

52575073

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(1,2,4-triazol-1-ylmethyl)-3-furyl]methyl]propan-2-amine N-[[2-(1,2,4-triazol-1-ylmethyl)…

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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)	0.47	7.04	-40.66	2	5	1	60	221.284	5	↓ MOL2 SDF SMILES Flexibase

52575075

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[2-(1,2,4-triazol-1-ylmethyl)-3-furyl]methyl]propan-2-amine 2-methyl-N-[[2-(1,2,4-triazol-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)	0.98	7.46	-39.17	2	5	1	60	235.311	5	↓ MOL2 SDF SMILES Flexibase

52575076

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[2-(1,2,4-triazol-1-ylmethyl)-3-furyl]methyl]propan-1-amine 2-methyl-N-[[2-(1,2,4-triazol-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)	0.92	7.95	-42.68	2	5	1	60	235.311	6	↓ MOL2 SDF SMILES Flexibase

52575077

Analogs

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Popular Name: N-methyl-1-[2-methyl-5-(1,2,4-triazol-1-ylmethyl)-3-furyl]methanamine N-methyl-1-[2-methyl-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)	0.02	6.48	-42.82	2	5	1	60	207.257	4	↓ MOL2 SDF SMILES Flexibase

52575078

Analogs

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Popular Name: N-[[2-methyl-5-(1,2,4-triazol-1-ylmethyl)-3-furyl]methyl]ethanamine N-[[2-methyl-5-(1,2,4-triazol-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)	0.40	7.33	-42.02	2	5	1	60	221.284	5	↓ MOL2 SDF SMILES Flexibase

52575079

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-methyl-5-(1,2,4-triazol-1-ylmethyl)-3-furyl]methyl]propan-1-amine N-[[2-methyl-5-(1,2,4-triazol-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)	0.90	8.08	-42.86	2	5	1	60	235.311	6	↓ MOL2 SDF SMILES Flexibase

52575080

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-methyl-5-(1,2,4-triazol-1-ylmethyl)-3-furyl]methyl]propan-2-amine N-[[2-methyl-5-(1,2,4-triazol-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)	0.69	7.86	-40.31	2	5	1	60	235.311	5	↓ MOL2 SDF SMILES Flexibase

52575083

Analogs

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Popular Name: 2-methyl-N-[[2-methyl-5-(1,2,4-triazol-1-ylmethyl)-3-furyl]methyl]propan-2-amine 2-methyl-N-[[2-methyl-5-(1,2,4-t…

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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)	1.21	8.27	-38.87	2	5	1	60	249.338	5	↓ MOL2 SDF SMILES Flexibase

52575084

Analogs

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Popular Name: 2-methyl-N-[[2-methyl-5-(1,2,4-triazol-1-ylmethyl)-3-furyl]methyl]propan-1-amine 2-methyl-N-[[2-methyl-5-(1,2,4-t…

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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)	1.14	8.78	-42.82	2	5	1	60	249.338	6	↓ MOL2 SDF SMILES Flexibase

52575085

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[5-(1,2,4-triazol-1-ylmethyl)-2-furyl]methanamine N-methyl-1-[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)	0.11	5.82	-46.09	2	5	1	60	193.23	4	↓ MOL2 SDF SMILES Flexibase

52575086

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(1,2,4-triazol-1-ylmethyl)-2-furyl]methyl]ethanamine N-[[5-(1,2,4-triazol-1-ylmethyl)…

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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)	0.49	6.68	-45.1	2	5	1	60	207.257	5	↓ MOL2 SDF SMILES Flexibase

52575087

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	0.99	7.43	-45.93	2	5	1	60	221.284	6	↓ MOL2 SDF SMILES Flexibase

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SQL Query Was

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