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ZINC Item

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52345762

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopropylmethyl)-N-[[2-(methylaminomethyl)-3-furyl]methyl]propan-2-amine N-(cyclopropylmethyl)-N-[[2-(met…

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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)	2.03	7.66	-100.87	3	3	2	34	238.375	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.03	5.41	-35.77	2	3	1	33	237.367	7	↓ MOL2 SDF SMILES Flexibase

52345763

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopropylmethyl)-N-[[2-(ethylaminomethyl)-3-furyl]methyl]propan-2-amine N-(cyclopropylmethyl)-N-[[2-(eth…

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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)	2.40	8.54	-101.99	3	3	2	34	252.402	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.40	6.72	-34.15	2	3	1	33	251.394	8	↓ MOL2 SDF SMILES Flexibase

52345764

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-[[cyclopropylmethyl(isopropyl)amino]methyl]-2-furyl]methyl]propan-1-amine N-[[3-[[cyclopropylmethyl(isopro…

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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)	2.91	9.31	-103.89	3	3	2	34	266.429	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.91	7.47	-34.73	2	3	1	33	265.421	9	↓ MOL2 SDF SMILES Flexibase

52345765

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-[[cyclopropylmethyl(isopropyl)amino]methyl]-2-furyl]methyl]propan-2-amine N-[[3-[[cyclopropylmethyl(isopro…

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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)	2.70	9.08	-101.33	3	3	2	34	266.429	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.70	7.24	-32.4	2	3	1	33	265.421	8	↓ MOL2 SDF SMILES Flexibase

52345767

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(aminomethyl)-3-furyl]methyl]-N-(cyclopropylmethyl)propan-2-amine N-[[2-(aminomethyl)-3-furyl]meth…

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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)	1.65	5.78	-106.82	4	3	2	45	224.348	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.65	3.54	-41.06	3	3	1	44	223.34	6	↓ MOL2 SDF SMILES Flexibase

52345792

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(aminomethyl)-2-methyl-3-furyl]methyl]-N-(cyclopropylmethyl)propan-2-amine N-[[5-(aminomethyl)-2-methyl-3-f…

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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)	1.88	6.42	-92.16	4	3	2	45	238.375	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.88	4.81	-43.34	3	3	1	44	237.367	6	↓ MOL2 SDF SMILES Flexibase

52345859

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopropylmethyl)-N-[[2-methyl-5-(methylaminomethyl)-3-furyl]methyl]propan-2-amine N-(cyclopropylmethyl)-N-[[2-meth…

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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)	2.25	8.3	-87.21	3	3	2	34	252.402	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.25	6.69	-37.8	2	3	1	33	251.394	7	↓ MOL2 SDF SMILES Flexibase

52345860

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopropylmethyl)-N-[[5-(ethylaminomethyl)-2-methyl-3-furyl]methyl]propan-2-amine N-(cyclopropylmethyl)-N-[[5-(eth…

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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)	2.63	9.12	-86.9	3	3	2	34	266.429	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.63	7.96	-36.91	2	3	1	33	265.421	8	↓ MOL2 SDF SMILES Flexibase

52345861

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[[cyclopropylmethyl(isopropyl)amino]methyl]-5-methyl-2-furyl]methyl]propan-1-amine N-[[4-[[cyclopropylmethyl(isopro…

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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)	3.13	9.87	-88.42	3	3	2	34	280.456	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.13	8.72	-37.71	2	3	1	33	279.448	9	↓ MOL2 SDF SMILES Flexibase

52345862

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[[cyclopropylmethyl(isopropyl)amino]methyl]-5-methyl-2-furyl]methyl]propan-2-amine N-[[4-[[cyclopropylmethyl(isopro…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.92	9.68	-86.31	3	3	2	34	280.456	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.92	8.07	-35.45	2	3	1	33	279.448	8	↓ MOL2 SDF SMILES Flexibase

52345864

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[[cyclopropylmethyl(isopropyl)amino]methyl]-5-methyl-2-furyl]methyl]-2-methyl-propan-2-amine N-[[4-[[cyclopropylmethyl(isopro…

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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)	3.44	10.09	-84.91	3	3	2	34	294.483	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.44	8.49	-33.38	2	3	1	33	293.475	8	↓ MOL2 SDF SMILES Flexibase

52345865

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[[cyclopropylmethyl(isopropyl)amino]methyl]-5-methyl-2-furyl]methyl]-2-methyl-propan-1-amine N-[[4-[[cyclopropylmethyl(isopro…

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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	10.6	-88.84	3	3	2	34	294.483	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.37	8.99	-37.59	2	3	1	33	293.475	9	↓ MOL2 SDF SMILES Flexibase

52345872

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-[[cyclopropylmethyl(isopropyl)amino]methyl]-2-furyl]methyl]-2-methyl-propan-1-amine N-[[3-[[cyclopropylmethyl(isopro…

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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)	3.15	9.98	-104.31	3	3	2	34	280.456	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.15	7.56	-34.93	2	3	1	33	279.448	9	↓ MOL2 SDF SMILES Flexibase

52345873

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-[[cyclopropylmethyl(isopropyl)amino]methyl]-2-furyl]methyl]-2-methyl-propan-2-amine N-[[3-[[cyclopropylmethyl(isopro…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.21	9.47	-97.79	3	3	2	34	280.456	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.21	7.19	-31.22	2	3	1	33	279.448	8	↓ MOL2 SDF SMILES Flexibase

52479100

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-cyclopropyl-N-methyl-N-[[2-(methylaminomethyl)-3-furyl]methyl]ethanamine (1S)-1-cyclopropyl-N-methyl-N-[[…

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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)	1.68	7.01	-101.93	3	3	2	34	224.348	6	↓ MOL2 SDF SMILES Flexibase

52479101

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-cyclopropyl-N-methyl-N-[[2-(methylaminomethyl)-3-furyl]methyl]ethanamine (1R)-1-cyclopropyl-N-methyl-N-[[…

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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)	1.68	7.3	-103.05	3	3	2	34	224.348	6	↓ MOL2 SDF SMILES Flexibase

52479102

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-cyclopropyl-N-[[2-(ethylaminomethyl)-3-furyl]methyl]-N-methyl-ethanamine (1S)-1-cyclopropyl-N-[[2-(ethyla…

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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)	2.06	7.87	-102.18	3	3	2	34	238.375	7	↓ MOL2 SDF SMILES Flexibase

52479103

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-cyclopropyl-N-[[2-(ethylaminomethyl)-3-furyl]methyl]-N-methyl-ethanamine (1R)-1-cyclopropyl-N-[[2-(ethyla…

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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)	2.06	8.17	-102.73	3	3	2	34	238.375	7	↓ MOL2 SDF SMILES Flexibase

52479104

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-[[[(1S)-1-cyclopropylethyl]-methyl-amino]methyl]-2-furyl]methyl]propan-1-amine N-[[3-[[[(1S)-1-cyclopropylethyl…

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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)	2.56	8.62	-104.02	3	3	2	34	252.402	8	↓ MOL2 SDF SMILES Flexibase

52479105

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-[[[(1R)-1-cyclopropylethyl]-methyl-amino]methyl]-2-furyl]methyl]propan-1-amine N-[[3-[[[(1R)-1-cyclopropylethyl…

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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)	2.56	8.93	-104.72	3	3	2	34	252.402	8	↓ MOL2 SDF SMILES Flexibase

52479106

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-[[[(1S)-1-cyclopropylethyl]-methyl-amino]methyl]-2-furyl]methyl]propan-2-amine N-[[3-[[[(1S)-1-cyclopropylethyl…

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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)	2.36	8.39	-99.87	3	3	2	34	252.402	7	↓ MOL2 SDF SMILES Flexibase

52479107

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-[[[(1R)-1-cyclopropylethyl]-methyl-amino]methyl]-2-furyl]methyl]propan-2-amine N-[[3-[[[(1R)-1-cyclopropylethyl…

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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)	2.36	8.67	-100.41	3	3	2	34	252.402	7	↓ MOL2 SDF SMILES Flexibase

52479110

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[[2-(aminomethyl)-3-furyl]methyl]-1-cyclopropyl-N-methyl-ethanamine (1S)-N-[[2-(aminomethyl)-3-furyl…

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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)	1.31	5.13	-107.75	4	3	2	45	210.321	5	↓ MOL2 SDF SMILES Flexibase

52479111

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[[2-(aminomethyl)-3-furyl]methyl]-1-cyclopropyl-N-methyl-ethanamine (1R)-N-[[2-(aminomethyl)-3-furyl…

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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)	1.31	5.43	-109.45	4	3	2	45	210.321	5	↓ MOL2 SDF SMILES Flexibase

52479178

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[[5-(aminomethyl)-2-methyl-3-furyl]methyl]-1-cyclopropyl-N-methyl-ethanamine (1S)-N-[[5-(aminomethyl)-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)	1.53	5.97	-94.29	4	3	2	45	224.348	5	↓ MOL2 SDF SMILES Flexibase

52479179

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[[5-(aminomethyl)-2-methyl-3-furyl]methyl]-1-cyclopropyl-N-methyl-ethanamine (1R)-N-[[5-(aminomethyl)-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)	1.53	6.13	-91.6	4	3	2	45	224.348	5	↓ MOL2 SDF SMILES Flexibase

52479274

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-cyclopropyl-N-methyl-N-[[2-methyl-5-(methylaminomethyl)-3-furyl]methyl]ethanamine (1S)-1-cyclopropyl-N-methyl-N-[[…

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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)	1.91	7.86	-87.03	3	3	2	34	238.375	6	↓ MOL2 SDF SMILES Flexibase

52479275

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-cyclopropyl-N-methyl-N-[[2-methyl-5-(methylaminomethyl)-3-furyl]methyl]ethanamine (1R)-1-cyclopropyl-N-methyl-N-[[…

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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)	1.91	8.01	-86.9	3	3	2	34	238.375	6	↓ MOL2 SDF SMILES Flexibase

52479276

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-cyclopropyl-N-[[5-(ethylaminomethyl)-2-methyl-3-furyl]methyl]-N-methyl-ethanamine (1S)-1-cyclopropyl-N-[[5-(ethyla…

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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)	2.28	8.65	-86.81	3	3	2	34	252.402	7	↓ MOL2 SDF SMILES Flexibase

52479277

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-cyclopropyl-N-[[5-(ethylaminomethyl)-2-methyl-3-furyl]methyl]-N-methyl-ethanamine (1R)-1-cyclopropyl-N-[[5-(ethyla…

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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)	2.28	8.81	-86.7	3	3	2	34	252.402	7	↓ MOL2 SDF SMILES Flexibase

52479278

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[[[(1S)-1-cyclopropylethyl]-methyl-amino]methyl]-5-methyl-2-furyl]methyl]propan-1-amine N-[[4-[[[(1S)-1-cyclopropylethyl…

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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)	2.79	9.4	-88.24	3	3	2	34	266.429	8	↓ MOL2 SDF SMILES Flexibase

52479279

Analogs

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Popular Name: N-[[4-[[[(1R)-1-cyclopropylethyl]-methyl-amino]methyl]-5-methyl-2-furyl]methyl]propan-1-amine N-[[4-[[[(1R)-1-cyclopropylethyl…

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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)	2.79	9.56	-88.18	3	3	2	34	266.429	8	↓ MOL2 SDF SMILES Flexibase

52479280

Analogs

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Popular Name: N-[[4-[[[(1S)-1-cyclopropylethyl]-methyl-amino]methyl]-5-methyl-2-furyl]methyl]propan-2-amine N-[[4-[[[(1S)-1-cyclopropylethyl…

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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	9.24	-86.19	3	3	2	34	266.429	7	↓ MOL2 SDF SMILES Flexibase

52479281

Analogs

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Popular Name: N-[[4-[[[(1R)-1-cyclopropylethyl]-methyl-amino]methyl]-5-methyl-2-furyl]methyl]propan-2-amine N-[[4-[[[(1R)-1-cyclopropylethyl…

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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	9.39	-86.08	3	3	2	34	266.429	7	↓ MOL2 SDF SMILES Flexibase

52479284

Analogs

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Popular Name: N-[[4-[[[(1S)-1-cyclopropylethyl]-methyl-amino]methyl]-5-methyl-2-furyl]methyl]-2-methyl-propan-2-am N-[[4-[[[(1S)-1-cyclopropylethyl…

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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)	3.09	9.66	-84.71	3	3	2	34	280.456	7	↓ MOL2 SDF SMILES Flexibase

52479285

Analogs

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Popular Name: N-[[4-[[[(1R)-1-cyclopropylethyl]-methyl-amino]methyl]-5-methyl-2-furyl]methyl]-2-methyl-propan-2-am N-[[4-[[[(1R)-1-cyclopropylethyl…

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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)	3.09	9.82	-84.58	3	3	2	34	280.456	7	↓ MOL2 SDF SMILES Flexibase

52479286

Analogs

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Popular Name: N-[[4-[[[(1S)-1-cyclopropylethyl]-methyl-amino]methyl]-5-methyl-2-furyl]methyl]-2-methyl-propan-1-am N-[[4-[[[(1S)-1-cyclopropylethyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.03	10.16	-88.95	3	3	2	34	280.456	8	↓ MOL2 SDF SMILES Flexibase

52479287

Analogs

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Popular Name: N-[[4-[[[(1R)-1-cyclopropylethyl]-methyl-amino]methyl]-5-methyl-2-furyl]methyl]-2-methyl-propan-1-am N-[[4-[[[(1R)-1-cyclopropylethyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.03	10.31	-88.77	3	3	2	34	280.456	8	↓ MOL2 SDF SMILES Flexibase

52479300

Analogs

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Popular Name: N-[[3-[[[(1S)-1-cyclopropylethyl]-methyl-amino]methyl]-2-furyl]methyl]-2-methyl-propan-1-amine N-[[3-[[[(1S)-1-cyclopropylethyl…

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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	9.31	-104.5	3	3	2	34	266.429	8	↓ MOL2 SDF SMILES Flexibase

52479301

Analogs

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Popular Name: N-[[3-[[[(1R)-1-cyclopropylethyl]-methyl-amino]methyl]-2-furyl]methyl]-2-methyl-propan-1-amine N-[[3-[[[(1R)-1-cyclopropylethyl…

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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	9.61	-104.73	3	3	2	34	266.429	8	↓ MOL2 SDF SMILES Flexibase

52479302

Analogs

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Popular Name: N-[[3-[[[(1S)-1-cyclopropylethyl]-methyl-amino]methyl]-2-furyl]methyl]-2-methyl-propan-2-amine N-[[3-[[[(1S)-1-cyclopropylethyl…

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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)	2.87	8.82	-99.06	3	3	2	34	266.429	7	↓ MOL2 SDF SMILES Flexibase

52479303

Analogs

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Popular Name: N-[[3-[[[(1R)-1-cyclopropylethyl]-methyl-amino]methyl]-2-furyl]methyl]-2-methyl-propan-2-amine N-[[3-[[[(1R)-1-cyclopropylethyl…

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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)	2.87	9.03	-99.46	3	3	2	34	266.429	7	↓ MOL2 SDF SMILES Flexibase

52483580

Analogs

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Popular Name: 1-[3-[[cyclopropylmethyl(methyl)amino]methyl]-2-furyl]-N-methyl-methanamine 1-[3-[[cyclopropylmethyl(methyl)…

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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)	1.36	6.92	-105.78	3	3	2	34	210.321	6	↓ MOL2 SDF SMILES Flexibase

52483581

Analogs

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Popular Name: N-[[3-[[cyclopropylmethyl(methyl)amino]methyl]-2-furyl]methyl]ethanamine N-[[3-[[cyclopropylmethyl(methyl…

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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	7.77	-105.58	3	3	2	34	224.348	7	↓ MOL2 SDF SMILES Flexibase

52483582

Analogs

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Popular Name: N-[[3-[[cyclopropylmethyl(methyl)amino]methyl]-2-furyl]methyl]propan-1-amine N-[[3-[[cyclopropylmethyl(methyl…

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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)	2.23	8.53	-107.54	3	3	2	34	238.375	8	↓ MOL2 SDF SMILES Flexibase

52483583

Analogs

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Popular Name: N-[[3-[[cyclopropylmethyl(methyl)amino]methyl]-2-furyl]methyl]propan-2-amine N-[[3-[[cyclopropylmethyl(methyl…

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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)	2.03	8.31	-105	3	3	2	34	238.375	7	↓ MOL2 SDF SMILES Flexibase

52483585

Analogs

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Popular Name: 1-[2-(aminomethyl)-3-furyl]-N-(cyclopropylmethyl)-N-methyl-methanamine 1-[2-(aminomethyl)-3-furyl]-N-(c…

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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	5.03	-112.07	4	3	2	45	196.294	5	↓ MOL2 SDF SMILES Flexibase

52483625

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[[cyclopropylmethyl(methyl)amino]methyl]-5-methyl-2-furyl]methanamine [4-[[cyclopropylmethyl(methyl)am…

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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)	1.20	5.68	-95.52	4	3	2	45	210.321	5	↓ MOL2 SDF SMILES Flexibase

52483700

Analogs

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Popular Name: 1-[4-[[cyclopropylmethyl(methyl)amino]methyl]-5-methyl-2-furyl]-N-methyl-methanamine 1-[4-[[cyclopropylmethyl(methyl)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.58	7.56	-90.65	3	3	2	34	224.348	6	↓ MOL2 SDF SMILES Flexibase

52483701

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[[cyclopropylmethyl(methyl)amino]methyl]-5-methyl-2-furyl]methyl]ethanamine N-[[4-[[cyclopropylmethyl(methyl…

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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)	1.95	8.41	-90.4	3	3	2	34	238.375	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 222674
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 = 222674 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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<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', {
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