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ZINC Item

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62029899

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-(3-methoxypropyl)-N-methyl-1-[5-[(1S,2R)-2-methylcyclopropyl]-2-furyl]ethane-1,2-diamine (1R)-N-(3-methoxypropyl)-N-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)	1.44	6.05	-120.01	4	4	2	54	268.401	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.44	5.68	-35.64	3	4	1	53	267.393	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.44	4.57	-41.34	3	4	1	53	267.393	8	↓ MOL2 SDF SMILES Flexibase

62029900

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-(3-methoxypropyl)-N-methyl-1-[5-[(1S,2S)-2-methylcyclopropyl]-2-furyl]ethane-1,2-diamine (1R)-N-(3-methoxypropyl)-N-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)	1.44	6.07	-119.26	4	4	2	54	268.401	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.44	5.7	-35.59	3	4	1	53	267.393	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.44	4.58	-41.08	3	4	1	53	267.393	8	↓ MOL2 SDF SMILES Flexibase

62029902

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-(3-methoxypropyl)-N-methyl-1-[5-[(1R,2R)-2-methylcyclopropyl]-2-furyl]ethane-1,2-diamine (1R)-N-(3-methoxypropyl)-N-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)	1.44	6.06	-117.69	4	4	2	54	268.401	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.44	5.69	-35.23	3	4	1	53	267.393	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.44	4.27	-45.12	3	4	1	53	267.393	8	↓ MOL2 SDF SMILES Flexibase

62029903

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-(3-methoxypropyl)-N-methyl-1-[5-[(1R,2S)-2-methylcyclopropyl]-2-furyl]ethane-1,2-diamine (1R)-N-(3-methoxypropyl)-N-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)	1.44	6.03	-118.14	4	4	2	54	268.401	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.44	5.68	-35.41	3	4	1	53	267.393	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.44	4.15	-44.84	3	4	1	53	267.393	8	↓ MOL2 SDF SMILES Flexibase

20125182

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[2-[[5-[(1R,2S)-2-methylcyclopropyl]-2-furyl]methylamino]ethyl]propanamide 2-methyl-N-[2-[[5-[(1R,2S)-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)	2.18	6.24	-51.17	3	4	1	59	265.377	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.18	4.84	-12.38	2	4	0	54	264.369	7	↓ MOL2 SDF SMILES Flexibase

20125183

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[2-[[5-[(1S,2S)-2-methylcyclopropyl]-2-furyl]methylamino]ethyl]propanamide 2-methyl-N-[2-[[5-[(1S,2S)-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)	2.18	6.27	-51.36	3	4	1	59	265.377	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.18	4.87	-12.32	2	4	0	54	264.369	7	↓ MOL2 SDF SMILES Flexibase

20125184

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[2-[[5-[(1R,2R)-2-methylcyclopropyl]-2-furyl]methylamino]ethyl]propanamide 2-methyl-N-[2-[[5-[(1R,2R)-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)	2.18	6.27	-51.53	3	4	1	59	265.377	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.18	4.87	-12.25	2	4	0	54	264.369	7	↓ MOL2 SDF SMILES Flexibase

20125185

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[2-[[5-[(1S,2R)-2-methylcyclopropyl]-2-furyl]methylamino]ethyl]propanamide 2-methyl-N-[2-[[5-[(1S,2R)-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)	2.18	6.24	-51.11	3	4	1	59	265.377	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.18	4.84	-12.5	2	4	0	54	264.369	7	↓ MOL2 SDF SMILES Flexibase

20125727

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N',N',2-trimethyl-N-[[5-[(1S,2R)-2-methylcyclopropyl]-2-furyl]methyl]propane-1,2-diamine N',N',2-trimethyl-N-[[5-[(1S,2R)…

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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	6.89	-36.28	2	3	1	33	251.394	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.79	5	-3.7	1	3	0	28	250.386	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.79	7.53	-30.26	2	3	1	30	251.394	6	↓ MOL2 SDF SMILES Flexibase

20125728

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N',N',2-trimethyl-N-[[5-[(1S,2S)-2-methylcyclopropyl]-2-furyl]methyl]propane-1,2-diamine N',N',2-trimethyl-N-[[5-[(1S,2S)…

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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	7.09	-36.34	2	3	1	33	251.394	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.79	5.01	-3.9	1	3	0	28	250.386	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.79	9.12	-112.85	3	3	2	34	252.402	6	↓ MOL2 SDF SMILES Flexibase

20125729

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N',N',2-trimethyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]-2-furyl]methyl]propane-1,2-diamine N',N',2-trimethyl-N-[[5-[(1R,2R)…

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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	7.11	-36.21	2	3	1	33	251.394	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.79	5.01	-3.83	1	3	0	28	250.386	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.79	9.09	-113.74	3	3	2	34	252.402	6	↓ MOL2 SDF SMILES Flexibase

20125730

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N',N',2-trimethyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]-2-furyl]methyl]propane-1,2-diamine N',N',2-trimethyl-N-[[5-[(1R,2S)…

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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	6.89	-36.42	2	3	1	33	251.394	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.79	5.01	-3.77	1	3	0	28	250.386	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.79	9.01	-112.38	3	3	2	34	252.402	6	↓ MOL2 SDF SMILES Flexibase

19438364

Analogs

38005672
38005673
38005674
38005675

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[(1R,2S)-2-methylcyclopropyl]-2-furyl]methyl]ethanamine N-[[5-[(1R,2S)-2-methylcycloprop…

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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)	2.33	6.47	-36.97	2	2	1	30	180.271	4	↓ MOL2 SDF SMILES Flexibase

19438366

Analogs

38005672
38005673
38005674
38005675

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[(1S,2S)-2-methylcyclopropyl]-2-furyl]methyl]ethanamine N-[[5-[(1S,2S)-2-methylcycloprop…

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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)	2.33	6.49	-37.18	2	2	1	30	180.271	4	↓ MOL2 SDF SMILES Flexibase

19438368

Analogs

38005672
38005673
38005674
38005675

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[(1R,2R)-2-methylcyclopropyl]-2-furyl]methyl]ethanamine N-[[5-[(1R,2R)-2-methylcycloprop…

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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)	2.33	6.49	-37.13	2	2	1	30	180.271	4	↓ MOL2 SDF SMILES Flexibase

19438370

Analogs

38005672
38005673
38005674
38005675

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[(1S,2R)-2-methylcyclopropyl]-2-furyl]methyl]ethanamine N-[[5-[(1S,2R)-2-methylcycloprop…

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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)	2.33	6.47	-36.96	2	2	1	30	180.271	4	↓ MOL2 SDF SMILES Flexibase

53366155

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-dimethyl-3-[5-[(1S,2R)-2-methylcyclopropyl]-2-furyl]propanamide N,N-dimethyl-3-[5-[(1S,2R)-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)	1.75	7.4	-8.23	0	3	0	33	221.3	4	↓ MOL2 SDF SMILES Flexibase

53366158

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-dimethyl-3-[5-[(1S,2S)-2-methylcyclopropyl]-2-furyl]propanamide N,N-dimethyl-3-[5-[(1S,2S)-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)	1.75	7.42	-8.27	0	3	0	33	221.3	4	↓ MOL2 SDF SMILES Flexibase

53366161

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-dimethyl-3-[5-[(1R,2R)-2-methylcyclopropyl]-2-furyl]propanamide N,N-dimethyl-3-[5-[(1R,2R)-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)	1.75	7.42	-8.36	0	3	0	33	221.3	4	↓ MOL2 SDF SMILES Flexibase

53366163

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-dimethyl-3-[5-[(1R,2S)-2-methylcyclopropyl]-2-furyl]propanamide N,N-dimethyl-3-[5-[(1R,2S)-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)	1.75	7.41	-8.31	0	3	0	33	221.3	4	↓ MOL2 SDF SMILES Flexibase

53427637

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-methyl-N-[[5-[(1S,2R)-2-methylcyclopropyl]-2-furyl]methyl]ethanamine 2-methoxy-N-methyl-N-[[5-[(1S,2R…

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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)	2.18	7.57	-33.09	1	3	1	27	224.324	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.18	5.21	-4.88	0	3	0	26	223.316	6	↓ MOL2 SDF SMILES Flexibase

53427641

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-methyl-N-[[5-[(1S,2S)-2-methylcyclopropyl]-2-furyl]methyl]ethanamine 2-methoxy-N-methyl-N-[[5-[(1S,2S…

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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)	2.18	7.59	-32.87	1	3	1	27	224.324	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.18	5.23	-5.05	0	3	0	26	223.316	6	↓ MOL2 SDF SMILES Flexibase

53427645

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-methyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]-2-furyl]methyl]ethanamine 2-methoxy-N-methyl-N-[[5-[(1R,2R…

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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)	2.18	7.49	-34.15	1	3	1	27	224.324	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.18	5.07	-5.76	0	3	0	26	223.316	6	↓ MOL2 SDF SMILES Flexibase

53427649

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]-2-furyl]methyl]ethanamine 2-methoxy-N-methyl-N-[[5-[(1R,2S…

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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)	2.18	7.57	-32.92	1	3	1	27	224.324	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.18	5.21	-5.03	0	3	0	26	223.316	6	↓ MOL2 SDF SMILES Flexibase

20361632

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(1S,2R)-2-methylcyclopropyl]-2-furyl]methylamino]ethanol 2-[[5-[(1S,2R)-2-methylcycloprop…

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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	3.18	-37.28	3	3	1	50	196.27	5	↓ MOL2 SDF SMILES Flexibase

20361633

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(1S,2S)-2-methylcyclopropyl]-2-furyl]methylamino]ethanol 2-[[5-[(1S,2S)-2-methylcycloprop…

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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	3.21	-37.54	3	3	1	50	196.27	5	↓ MOL2 SDF SMILES Flexibase

20361634

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(1R,2R)-2-methylcyclopropyl]-2-furyl]methylamino]ethanol 2-[[5-[(1R,2R)-2-methylcycloprop…

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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	3.21	-37.59	3	3	1	50	196.27	5	↓ MOL2 SDF SMILES Flexibase

20361635

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(1R,2S)-2-methylcyclopropyl]-2-furyl]methylamino]ethanol 2-[[5-[(1R,2S)-2-methylcycloprop…

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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	3.18	-37.44	3	3	1	50	196.27	5	↓ MOL2 SDF SMILES Flexibase

20361644

Analogs

42584764
42584767
42584770
42584773

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]-2-furyl]methyl]butan-2-amine (2R)-3-methyl-N-[[5-[(1R,2S)-2-m…

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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)	3.40	8.38	-36.65	2	2	1	30	222.352	5	↓ MOL2 SDF SMILES Flexibase

20361645

Analogs

42584764
42584767
42584770
42584773

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]-2-furyl]methyl]butan-2-amine (2S)-3-methyl-N-[[5-[(1R,2S)-2-m…

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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)	3.40	8.42	-36.34	2	2	1	30	222.352	5	↓ MOL2 SDF SMILES Flexibase

20361646

Analogs

42584764
42584767
42584770
42584773

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-methyl-N-[[5-[(1S,2S)-2-methylcyclopropyl]-2-furyl]methyl]butan-2-amine (2R)-3-methyl-N-[[5-[(1S,2S)-2-m…

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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)	3.40	8.41	-36.78	2	2	1	30	222.352	5	↓ MOL2 SDF SMILES Flexibase

20361647

Analogs

42584764
42584767
42584770
42584773

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-methyl-N-[[5-[(1S,2S)-2-methylcyclopropyl]-2-furyl]methyl]butan-2-amine (2S)-3-methyl-N-[[5-[(1S,2S)-2-m…

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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)	3.40	8.39	-35.46	2	2	1	30	222.352	5	↓ MOL2 SDF SMILES Flexibase

53641629

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[[5-[(1S,2R)-2-methylcyclopropyl]-2-furyl]methyl]acetamide N-methyl-N-[[5-[(1S,2R)-2-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)	1.56	6.8	-8.84	0	3	0	33	207.273	3	↓ MOL2 SDF SMILES Flexibase

53641631

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[[5-[(1S,2S)-2-methylcyclopropyl]-2-furyl]methyl]acetamide N-methyl-N-[[5-[(1S,2S)-2-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)	1.56	6.81	-8.71	0	3	0	33	207.273	3	↓ MOL2 SDF SMILES Flexibase

53641633

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]-2-furyl]methyl]acetamide N-methyl-N-[[5-[(1R,2R)-2-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)	1.56	6.81	-8.75	0	3	0	33	207.273	3	↓ MOL2 SDF SMILES Flexibase

53641635

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]-2-furyl]methyl]acetamide N-methyl-N-[[5-[(1R,2S)-2-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)	1.56	6.8	-8.78	0	3	0	33	207.273	3	↓ MOL2 SDF SMILES Flexibase

53641671

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,2-dimethyl-N-[[5-[(1S,2R)-2-methylcyclopropyl]-2-furyl]methyl]propanamide N,2-dimethyl-N-[[5-[(1S,2R)-2-me…

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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)	2.64	8.1	-8.39	0	3	0	33	235.327	4	↓ MOL2 SDF SMILES Flexibase

53641673

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,2-dimethyl-N-[[5-[(1S,2S)-2-methylcyclopropyl]-2-furyl]methyl]propanamide N,2-dimethyl-N-[[5-[(1S,2S)-2-me…

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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)	2.64	8.1	-8.3	0	3	0	33	235.327	4	↓ MOL2 SDF SMILES Flexibase

53641675

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,2-dimethyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]-2-furyl]methyl]propanamide N,2-dimethyl-N-[[5-[(1R,2R)-2-me…

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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)	2.64	8.1	-8.23	0	3	0	33	235.327	4	↓ MOL2 SDF SMILES Flexibase

53641677

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,2-dimethyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]-2-furyl]methyl]propanamide N,2-dimethyl-N-[[5-[(1R,2S)-2-me…

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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)	2.64	8.1	-8.27	0	3	0	33	235.327	4	↓ MOL2 SDF SMILES Flexibase

53641732

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]-2-furyl]methyl]butanamide N-methyl-N-[[5-[(1R,2S)-2-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)	2.95	8.42	-11.39	0	3	0	33	235.327	5	↓ MOL2 SDF SMILES Flexibase

53641734

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[[5-[(1S,2S)-2-methylcyclopropyl]-2-furyl]methyl]butanamide N-methyl-N-[[5-[(1S,2S)-2-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)	2.95	8.43	-11.63	0	3	0	33	235.327	5	↓ MOL2 SDF SMILES Flexibase

53641736

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]-2-furyl]methyl]butanamide N-methyl-N-[[5-[(1R,2R)-2-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)	2.95	8.43	-11.56	0	3	0	33	235.327	5	↓ MOL2 SDF SMILES Flexibase

53641737

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[[5-[(1S,2R)-2-methylcyclopropyl]-2-furyl]methyl]butanamide N-methyl-N-[[5-[(1S,2R)-2-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)	2.95	8.42	-11.26	0	3	0	33	235.327	5	↓ MOL2 SDF SMILES Flexibase

53641809

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]-2-furyl]methyl]propanamide N-methyl-N-[[5-[(1R,2S)-2-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)	2.39	7.66	-11.54	0	3	0	33	221.3	4	↓ MOL2 SDF SMILES Flexibase

53641811

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[[5-[(1S,2S)-2-methylcyclopropyl]-2-furyl]methyl]propanamide N-methyl-N-[[5-[(1S,2S)-2-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)	2.39	7.66	-11.81	0	3	0	33	221.3	4	↓ MOL2 SDF SMILES Flexibase

53641813

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]-2-furyl]methyl]propanamide N-methyl-N-[[5-[(1R,2R)-2-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)	2.39	7.66	-11.74	0	3	0	33	221.3	4	↓ MOL2 SDF SMILES Flexibase

53641815

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[[5-[(1S,2R)-2-methylcyclopropyl]-2-furyl]methyl]propanamide N-methyl-N-[[5-[(1S,2R)-2-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)	2.39	7.65	-11.49	0	3	0	33	221.3	4	↓ MOL2 SDF SMILES Flexibase

36865984

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N2,N2,4-trimethyl-N1-[[5-[(1S,2R)-2-methylcyclopropyl]-2-furyl]methyl]pentane-1,2-diamine (2R)-N2,N2,4-trimethyl-N1-[[5-[(…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.62	8.18	-37.26	2	3	1	33	279.448	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.62	6.8	-3.09	1	3	0	28	278.44	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.62	8.86	-35.2	2	3	1	30	279.448	8	↓ MOL2 SDF SMILES Flexibase

36865985

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N2,N2,4-trimethyl-N1-[[5-[(1R,2R)-2-methylcyclopropyl]-2-furyl]methyl]pentane-1,2-diamine (2R)-N2,N2,4-trimethyl-N1-[[5-[(…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.62	8.18	-37.07	2	3	1	33	279.448	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.62	6.82	-3.18	1	3	0	28	278.44	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.62	8.87	-35.39	2	3	1	30	279.448	8	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 13363
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 = 13363 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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