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ZINC Item

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48797544

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-bromo-6-[[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methylamino]methyl]phenol 2-bromo-6-[[[(1R,5S)-8-methyl-8-…

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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)	3.17	6.58	-101.79	4	3	2	41	341.293	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.17	7.34	-75.89	3	3	1	44	340.285	4	↓ MOL2 SDF SMILES Flexibase

41660106

Analogs

21023517

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2,4-dibromophenyl)-N-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]ethanamine (1S)-1-(2,4-dibromophenyl)-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)	4.78	10.75	-104.4	3	2	2	21	418.217	4	↓ MOL2 SDF SMILES Flexibase

41660112

Analogs

21023517

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(2,4-dibromophenyl)-N-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]ethanamine (1R)-1-(2,4-dibromophenyl)-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)	4.78	10.42	-101.86	3	2	2	21	418.217	4	↓ MOL2 SDF SMILES Flexibase

38018898

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-1-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine N-benzyl-1-[(1S,5R)-8-methyl-8-a…

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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)	2.68	8.69	-98.89	3	2	2	21	246.398	4	↓ MOL2 SDF SMILES Flexibase

38018899

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(3,4-dichlorophenyl)-N-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]ethanamine (1S)-1-(3,4-dichlorophenyl)-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)	4.52	10.55	-107.86	3	2	2	21	329.315	4	↓ MOL2 SDF SMILES Flexibase

38018900

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(3,4-dichlorophenyl)-N-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]ethanamine (1R)-1-(3,4-dichlorophenyl)-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)	4.52	10.54	-108.71	3	2	2	21	329.315	4	↓ MOL2 SDF SMILES Flexibase

38018901

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-bromophenyl)methyl]-1-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine N-[(2-bromophenyl)methyl]-1-[(1S…

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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	9.24	-95.18	3	2	2	21	325.294	4	↓ MOL2 SDF SMILES Flexibase

38018909

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methyl-2-[(1R)-1-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methylamino]ethyl]phenol 5-methyl-2-[(1R)-1-[[(1R,5S)-8-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)	3.60	7.23	-100.11	4	3	2	41	290.451	4	↓ MOL2 SDF SMILES Flexibase

38018910

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methyl-2-[(1S)-1-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methylamino]ethyl]phenol 5-methyl-2-[(1S)-1-[[(1R,5S)-8-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)	3.60	7.59	-99.44	4	3	2	41	290.451	4	↓ MOL2 SDF SMILES Flexibase

38018918

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methoxy-2-[[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methylamino]methyl]phenol 4-methoxy-2-[[[(1S,5R)-8-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)	2.65	5.35	-100.66	4	4	2	51	292.423	5	↓ MOL2 SDF SMILES Flexibase

38018925

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-N-[(3-nitrophenyl)methyl]methanamine 1-[(1S,5R)-8-methyl-8-azabicyclo…

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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)	2.61	9.41	-117.41	3	5	2	67	291.395	5	↓ MOL2 SDF SMILES Flexibase

38018936

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-6-[[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methylamino]methyl]phenol 2-methoxy-6-[[[(1S,5R)-8-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)	2.22	5.89	-98.9	4	4	2	51	292.423	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.22	6.79	-78.98	3	4	1	53	291.415	5	↓ MOL2 SDF SMILES Flexibase

38018938

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4-fluorophenyl)-N-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]ethanamine (1S)-1-(4-fluorophenyl)-N-[[(1R,…

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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	9.18	-103.63	3	2	2	21	278.415	4	↓ MOL2 SDF SMILES Flexibase

38018939

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(4-fluorophenyl)-N-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]ethanamine (1R)-1-(4-fluorophenyl)-N-[[(1R,…

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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	9.33	-103.81	3	2	2	21	278.415	4	↓ MOL2 SDF SMILES Flexibase

38018940

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2-bromophenyl)-N-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]ethanamine (1S)-1-(2-bromophenyl)-N-[[(1R,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)	4.00	10.13	-99.06	3	2	2	21	339.321	4	↓ MOL2 SDF SMILES Flexibase

38018941

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(2-bromophenyl)-N-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]ethanamine (1R)-1-(2-bromophenyl)-N-[[(1R,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)	4.00	9.8	-96.64	3	2	2	21	339.321	4	↓ MOL2 SDF SMILES Flexibase

38018947

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(3-chlorophenyl)-N-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]propan-1-amine (1S)-1-(3-chlorophenyl)-N-[[(1R,…

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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)	3.49	10.6	-99.69	3	2	2	21	308.897	5	↓ MOL2 SDF SMILES Flexibase

38018948

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(3-chlorophenyl)-N-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]propan-1-amine (1R)-1-(3-chlorophenyl)-N-[[(1R,…

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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)	3.49	10.43	-103	3	2	2	21	308.897	5	↓ MOL2 SDF SMILES Flexibase

38018949

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4-methoxyphenyl)-N-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]ethanamine (1S)-1-(4-methoxyphenyl)-N-[[(1R…

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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)	3.29	8.41	-100.2	3	3	2	30	290.451	5	↓ MOL2 SDF SMILES Flexibase

38018950

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(4-methoxyphenyl)-N-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]ethanamine (1R)-1-(4-methoxyphenyl)-N-[[(1R…

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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)	3.29	8.56	-100.37	3	3	2	30	290.451	5	↓ MOL2 SDF SMILES Flexibase

38018952

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-chloro-6-fluoro-phenyl)methyl]-1-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine N-[(2-chloro-6-fluoro-phenyl)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)	3.42	9.13	-90.1	3	2	2	21	298.833	4	↓ MOL2 SDF SMILES Flexibase

38018953

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1-phenyl-ethanamine (1S)-N-[[(1R,5S)-8-methyl-8-azab…

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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)	3.24	9.11	-97.15	3	2	2	21	260.425	4	↓ MOL2 SDF SMILES Flexibase

38018954

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1-phenyl-ethanamine (1R)-N-[[(1R,5S)-8-methyl-8-azab…

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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)	3.24	9.26	-97.06	3	2	2	21	260.425	4	↓ MOL2 SDF SMILES Flexibase

38018955

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(3-bromophenyl)-N-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]ethanamine (1S)-1-(3-bromophenyl)-N-[[(1R,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)	4.02	9.73	-102.26	3	2	2	21	339.321	4	↓ MOL2 SDF SMILES Flexibase

38018956

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(3-bromophenyl)-N-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]ethanamine (1R)-1-(3-bromophenyl)-N-[[(1R,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)	4.02	10.19	-103.6	3	2	2	21	339.321	4	↓ MOL2 SDF SMILES Flexibase

38018957

Analogs

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Popular Name: 4-[(1S)-1-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methylamino]ethyl]benzene-1,3-diol 4-[(1S)-1-[[(1R,5S)-8-methyl-8-a…

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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)	2.67	4.09	-103.67	5	4	2	61	292.423	4	↓ MOL2 SDF SMILES Flexibase

38018958

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1R)-1-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methylamino]ethyl]benzene-1,3-diol 4-[(1R)-1-[[(1R,5S)-8-methyl-8-a…

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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)	2.67	3.7	-103.63	5	4	2	61	292.423	4	↓ MOL2 SDF SMILES Flexibase

38018959

Analogs

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Popular Name: (1S)-1-(3-methoxyphenyl)-N-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]ethanamine (1S)-1-(3-methoxyphenyl)-N-[[(1R…

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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)	3.27	8.4	-99.44	3	3	2	30	290.451	5	↓ MOL2 SDF SMILES Flexibase

38018960

Analogs

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Popular Name: (1R)-1-(3-methoxyphenyl)-N-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]ethanamine (1R)-1-(3-methoxyphenyl)-N-[[(1R…

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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)	3.27	8.55	-98.84	3	3	2	30	290.451	5	↓ MOL2 SDF SMILES Flexibase

38018961

Analogs

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Popular Name: 2,4-dichloro-6-[[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methylamino]methyl]phenol 2,4-dichloro-6-[[[(1S,5R)-8-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)	3.67	6.97	-104.05	4	3	2	41	331.287	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.67	7.73	-74.49	3	3	1	44	330.279	4	↓ MOL2 SDF SMILES Flexibase

38018962

Analogs

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Popular Name: (1S)-1-(2,4-dichlorophenyl)-N-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]ethanamine (1S)-1-(2,4-dichlorophenyl)-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)	4.52	10.57	-104.34	3	2	2	21	329.315	4	↓ MOL2 SDF SMILES Flexibase

38018963

Analogs

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Popular Name: (1R)-1-(2,4-dichlorophenyl)-N-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]ethanamine (1R)-1-(2,4-dichlorophenyl)-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)	4.52	10.26	-101.94	3	2	2	21	329.315	4	↓ MOL2 SDF SMILES Flexibase

38018964

Analogs

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Popular Name: (1S)-1-(4-chlorophenyl)-N-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]propan-1-amine (1S)-1-(4-chlorophenyl)-N-[[(1R,…

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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)	3.51	10.61	-100.9	3	2	2	21	308.897	5	↓ MOL2 SDF SMILES Flexibase

38018965

Analogs

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Popular Name: (1R)-1-(4-chlorophenyl)-N-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]propan-1-amine (1R)-1-(4-chlorophenyl)-N-[[(1R,…

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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)	3.51	10.43	-103.98	3	2	2	21	308.897	5	↓ MOL2 SDF SMILES Flexibase

38018966

Analogs

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Popular Name: (1S)-N-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1-(p-tolyl)propan-1-amine (1S)-N-[[(1R,5S)-8-methyl-8-azab…

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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)	3.28	10.77	-95.67	3	2	2	21	288.479	5	↓ MOL2 SDF SMILES Flexibase

38018967

Analogs

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Popular Name: (1R)-N-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1-(p-tolyl)propan-1-amine (1R)-N-[[(1R,5S)-8-methyl-8-azab…

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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)	3.28	10.58	-98.51	3	2	2	21	288.479	5	↓ MOL2 SDF SMILES Flexibase

38018968

Analogs

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Popular Name: 4-chloro-2-[[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methylamino]methyl]phenol 4-chloro-2-[[[(1S,5R)-8-methyl-8…

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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)	3.27	6.42	-99.65	4	3	2	41	296.842	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.27	7.18	-74.14	3	3	1	44	295.834	4	↓ MOL2 SDF SMILES Flexibase

38018969

Analogs

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Popular Name: 3-[(1S)-1-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methylamino]ethyl]phenol 3-[(1S)-1-[[(1R,5S)-8-methyl-8-a…

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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)	2.73	6.25	-101.41	4	3	2	41	276.424	4	↓ MOL2 SDF SMILES Flexibase

38018970

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1R)-1-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methylamino]ethyl]phenol 3-[(1R)-1-[[(1R,5S)-8-methyl-8-a…

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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)	2.73	6.4	-100.23	4	3	2	41	276.424	4	↓ MOL2 SDF SMILES Flexibase

38018971

Analogs

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Popular Name: (1S)-N-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1-phenyl-propan-1-amine (1S)-N-[[(1R,5S)-8-methyl-8-azab…

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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)	2.84	10.09	-95.51	3	2	2	21	274.452	5	↓ MOL2 SDF SMILES Flexibase

38018972

Analogs

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Popular Name: (1R)-N-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1-phenyl-propan-1-amine (1R)-N-[[(1R,5S)-8-methyl-8-azab…

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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)	2.84	9.91	-98.33	3	2	2	21	274.452	5	↓ MOL2 SDF SMILES Flexibase

38018973

Analogs

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Popular Name: (1S)-1-(4-fluorophenyl)-N-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]propan-1-amine (1S)-1-(4-fluorophenyl)-N-[[(1R,…

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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)	3.00	10.16	-101.88	3	2	2	21	292.442	5	↓ MOL2 SDF SMILES Flexibase

38018974

Analogs

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Popular Name: (1R)-1-(4-fluorophenyl)-N-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]propan-1-amine (1R)-1-(4-fluorophenyl)-N-[[(1R,…

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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)	3.00	9.97	-105.09	3	2	2	21	292.442	5	↓ MOL2 SDF SMILES Flexibase

38018978

Analogs

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Popular Name: 2-[(1S)-1-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methylamino]ethyl]phenol 2-[(1S)-1-[[(1R,5S)-8-methyl-8-a…

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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)	3.18	6.93	-99.19	4	3	2	41	276.424	4	↓ MOL2 SDF SMILES Flexibase

38018979

Analogs

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Popular Name: 2-[(1R)-1-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methylamino]ethyl]phenol 2-[(1R)-1-[[(1R,5S)-8-methyl-8-a…

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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)	3.18	6.55	-99.84	4	3	2	41	276.424	4	↓ MOL2 SDF SMILES Flexibase

38018980

Analogs

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Popular Name: (1S)-N-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1-(4-methylsulfanylphenyl)ethanamine (1S)-N-[[(1R,5S)-8-methyl-8-azab…

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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)	3.67	10.12	-101.04	3	2	2	21	306.519	5	↓ MOL2 SDF SMILES Flexibase

38018981

Analogs

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Popular Name: (1R)-N-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1-(4-methylsulfanylphenyl)ethanamine (1R)-N-[[(1R,5S)-8-methyl-8-azab…

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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)	3.67	10.28	-101.39	3	2	2	21	306.519	5	↓ MOL2 SDF SMILES Flexibase

38018983

Analogs

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Popular Name: 4-[[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methylamino]methyl]benzene-1,3-diol 4-[[[(1S,5R)-8-methyl-8-azabicyc…

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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)	2.11	3.06	-101.72	5	4	2	61	278.396	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.11	3.82	-80.76	4	4	1	64	277.388	4	↓ MOL2 SDF SMILES Flexibase

38018984

Analogs

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Popular Name: (1S)-1-(2-methoxyphenyl)-N-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]ethanamine (1S)-1-(2-methoxyphenyl)-N-[[(1R…

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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)	3.24	9.06	-97.33	3	3	2	30	290.451	5	↓ MOL2 SDF SMILES Flexibase

38018985

Analogs

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Popular Name: (1R)-1-(2-methoxyphenyl)-N-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]ethanamine (1R)-1-(2-methoxyphenyl)-N-[[(1R…

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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)	3.24	8.71	-95.34	3	3	2	30	290.451	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 540655
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

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