ZINC 12

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.89	9.7	-28.71	1	4	0	26	359.534	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.89	11.57	-104.17	2	4	2	27	360.542	5	↓ MOL2 SDF SMILES Flexibase

19452780

Analogs

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Popular Name: [(1S,5R)-9-(2,4-dimethoxypyrimidin-5-yl)-9-hydroxy-7-azabicyclo[3.3.1]nonan-7-yl]-(3-isopropylisoxaz [(1S,5R)-9-(2,4-dimethoxypyrimid…

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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)	2.52	1.09	-11.9	1	9	0	111	416.478	5	↓ MOL2 SDF SMILES Flexibase

61320819

Analogs

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Popular Name: (1R,5S)-7-isopropyl-N-[(5-methylpyrazin-2-yl)methyl]-7-azabicyclo[3.3.1]nonan-9-amine (1R,5S)-7-isopropyl-N-[(5-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)	2.45	6.45	-78.2	2	4	0	42	289.447	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.45	7.1	-39.81	2	4	1	46	289.447	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.45	7.34	-127.53	3	4	0	47	290.455	4	↓ MOL2 SDF SMILES Flexibase

61361811

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5S)-7-isopropyl-N-[(1S)-1-(3-thienyl)ethyl]-7-azabicyclo[3.3.1]nonan-9-amine (1R,5S)-7-isopropyl-N-[(1S)-1-(3…

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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)	3.84	9.88	-166.04	3	2	0	21	294.508	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.84	9.68	-36.22	2	2	1	20	293.5	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.84	8.99	-64.48	2	2	0	16	293.5	4	↓ MOL2 SDF SMILES Flexibase

69141278

Analogs

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Popular Name: (1R,5S)-N-[(3R)-1,1-dioxothian-3-yl]-7-isopropyl-7-azabicyclo[3.3.1]nonan-9-amine (1R,5S)-N-[(3R)-1,1-dioxothian-3…

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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)	2.09	4.98	-67.38	2	4	0	51	315.503	3	↓ MOL2 SDF SMILES Flexibase

63099701

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5S)-7-isopropyl-N-(3,3,3-trifluoropropyl)-7-azabicyclo[3.3.1]nonan-9-amine (1R,5S)-7-isopropyl-N-(3,3,3-tri…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.49	7.66	-1.66	2	2	0	16	279.37	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.49	8.6	-36.65	3	2	0	21	280.378	5	↓ MOL2 SDF SMILES Flexibase

69485795

Analogs

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Popular Name: N-[(1R,5S)-7-cyclopropyl-7-azabicyclo[3.3.1]nonan-9-yl]-5-fluoro-2-nitro-benzamide N-[(1R,5S)-7-cyclopropyl-7-azabi…

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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)	3.07	11.01	-55.64	2	6	0	79	348.398	4	↓ MOL2 SDF SMILES Flexibase

55475325

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,5S)-3-cyclopropyl-3-azabicyclo[3.3.1]nonan-9-yl]cyclobutanecarboxamide N-[(1R,5S)-3-cyclopropyl-3-azabi…

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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	8.46	-6.91	2	3	0	34	263.405	3	↓ MOL2 SDF SMILES Flexibase

55475338

Analogs

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Popular Name: N-[(1R,5S)-7-cyclopropyl-7-azabicyclo[3.3.1]nonan-9-yl]butanamide N-[(1R,5S)-7-cyclopropyl-7-azabi…

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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)	2.75	8.04	-7.26	2	3	0	34	251.394	4	↓ MOL2 SDF SMILES Flexibase

55475426

Analogs

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Popular Name: N-[(1R,5S)-7-cyclopropyl-7-azabicyclo[3.3.1]nonan-9-yl]-2-methoxy-acetamide N-[(1R,5S)-7-cyclopropyl-7-azabi…

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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)	1.30	6.55	-10.01	2	4	0	43	253.366	4	↓ MOL2 SDF SMILES Flexibase

55475911

Analogs

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Popular Name: (2S)-N-[(1R,5S)-3-cyclopropyl-3-azabicyclo[3.3.1]nonan-9-yl]tetrahydrofuran-2-carboxamide (2S)-N-[(1R,5S)-3-cyclopropyl-3-…

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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)	1.69	7.77	-10.59	2	4	0	43	279.404	3	↓ MOL2 SDF SMILES Flexibase

55476066

Analogs

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Popular Name: N-[(1R,5S)-3-cyclopropyl-3-azabicyclo[3.3.1]nonan-9-yl]-2-ureido-acetamide N-[(1R,5S)-3-cyclopropyl-3-azabi…

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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	2.07	-9.24	5	6	0	89	281.38	4	↓ MOL2 SDF SMILES Flexibase

55476208

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,5S)-7-cyclopropyl-7-azabicyclo[3.3.1]nonan-9-yl]-2-methyl-5-sulfamoyl-benzamide N-[(1R,5S)-7-cyclopropyl-7-azabi…

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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)	2.09	5.22	-56.82	4	6	0	94	378.518	4	↓ MOL2 SDF SMILES Flexibase

55477419

Analogs

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Popular Name: (2S)-N-[(1R,5S)-7-cyclopropyl-7-azabicyclo[3.3.1]nonan-9-yl]-2-methylsulfanyl-propanamide (2S)-N-[(1R,5S)-7-cyclopropyl-7-…

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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)	2.20	8.27	-78.89	2	3	0	34	283.461	4	↓ MOL2 SDF SMILES Flexibase

55477421

Analogs

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Popular Name: (2R)-N-[(1R,5S)-7-cyclopropyl-7-azabicyclo[3.3.1]nonan-9-yl]-2-methylsulfanyl-propanamide (2R)-N-[(1R,5S)-7-cyclopropyl-7-…

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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)	2.20	8.27	-78.46	2	3	0	34	283.461	4	↓ MOL2 SDF SMILES Flexibase

65576177

Analogs

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Popular Name: N-[(1R,5S)-7-cyclopropyl-7-azabicyclo[3.3.1]nonan-9-yl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-ca N-[(1R,5S)-7-cyclopropyl-7-azabi…

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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)	1.89	10.6	-56.57	2	6	0	64	340.451	3	↓ MOL2 SDF SMILES Flexibase

69744506

Analogs

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Popular Name: 6-[[(1R,5S)-7-cyclopropyl-7-azabicyclo[3.3.1]nonan-9-yl]amino]-1-methyl-5H-pyrazolo[3,4-d]pyrimidin- 6-[[(1R,5S)-7-cyclopropyl-7-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)	2.02	9.33	-78.57	3	7	0	80	329.428	3	↓ MOL2 SDF SMILES Flexibase

69745111

Analogs

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Popular Name: (1R,5S)-7-cyclopropyl-9-[[2-methoxyethyl(methyl)sulfamoyl]amino]-7-azabicyclo[3.3.1]nonane (1R,5S)-7-cyclopropyl-9-[[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)	1.35	5.23	-61.43	2	6	0	63	332.49	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.35	5.17	-40.75	1	6	0	65	331.482	7	↓ MOL2 SDF SMILES Flexibase

66188118

Analogs

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Popular Name: 1-[(1R,5S)-7-cyclopropyl-7-azabicyclo[3.3.1]nonan-9-yl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ure 1-[(1R,5S)-7-cyclopropyl-7-azabi…

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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)	1.12	4.42	-91.4	3	7	0	84	320.417	4	↓ MOL2 SDF SMILES Flexibase

67248886

Analogs

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Popular Name: (1R,5S)-7-cyclopropyl-N-[(1-ethylbenzimidazol-2-yl)methyl]-7-azabicyclo[3.3.1]nonan-9-amine (1R,5S)-7-cyclopropyl-N-[(1-ethy…

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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)	3.43	11.12	-91.94	2	4	0	34	339.507	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.43	11.44	-61.51	3	4	0	36	340.515	5	↓ MOL2 SDF SMILES Flexibase

40768919

Analogs

40768966
48589339

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Popular Name: (1R,5S)-N-cyclopropyl-7-isopropyl-7-azabicyclo[3.3.1]nonan-9-amine (1R,5S)-N-cyclopropyl-7-isopropy…

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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)	2.66	8.08	-13.32	3	2	0	21	224.392	3	↓ MOL2 SDF SMILES Flexibase

40768921

Analogs

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Popular Name: 2-[[(1R,5S)-7-isopropyl-7-azabicyclo[3.3.1]nonan-9-yl]amino]acetamide 2-[[(1R,5S)-7-isopropyl-7-azabic…

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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)	1.03	2.52	-6.88	4	4	0	60	240.371	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.03	3.59	-6.32	5	4	0	64	241.379	4	↓ MOL2 SDF SMILES Flexibase

40768927

Analogs

40768948
40768958
40769337
42372388

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Popular Name: (1R,5S)-7-isopropyl-N-methyl-7-azabicyclo[3.3.1]nonan-9-amine (1R,5S)-7-isopropyl-N-methyl-7-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)	2.30	6.6	-47.24	3	2	0	21	198.354	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.30	5.61	-0.32	2	2	0	16	197.346	2	↓ MOL2 SDF SMILES Flexibase

40768928

Analogs

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Popular Name: (1R,5S)-N-(2-furylmethyl)-7-isopropyl-7-azabicyclo[3.3.1]nonan-9-amine (1R,5S)-N-(2-furylmethyl)-7-isop…

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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	8.59	-116.46	3	3	0	34	264.413	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.95	7.65	-2.19	2	3	0	30	263.405	4	↓ MOL2 SDF SMILES Flexibase

40768932

Analogs

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Popular Name: (1R,5S)-7-isopropyl-N-(2,2,2-trifluoroethyl)-7-azabicyclo[3.3.1]nonan-9-amine (1R,5S)-7-isopropyl-N-(2,2,2-tri…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.22	6.97	-1.44	2	2	0	16	265.343	4	↓ MOL2 SDF SMILES Flexibase

40768936

Analogs

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Popular Name: (1R,5S)-7-isopropyl-N-prop-2-ynyl-7-azabicyclo[3.3.1]nonan-9-amine (1R,5S)-7-isopropyl-N-prop-2-yny…

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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)	2.46	7	-1.48	2	2	0	16	221.368	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.46	7.97	-62.13	3	2	0	21	222.376	3	↓ MOL2 SDF SMILES Flexibase

40768938

Analogs

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Popular Name: (1R,5S)-N-allyl-7-isopropyl-7-azabicyclo[3.3.1]nonan-9-amine (1R,5S)-N-allyl-7-isopropyl-7-az…

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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)	2.94	7.92	-14.54	3	2	0	21	224.392	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.94	6.85	-0.33	2	2	0	16	223.384	4	↓ MOL2 SDF SMILES Flexibase

40768940

Analogs

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Popular Name: (1R,5S)-N-(3-ethynylphenyl)-7-isopropyl-7-azabicyclo[3.3.1]nonan-9-amine (1R,5S)-N-(3-ethynylphenyl)-7-is…

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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)	4.40	10.8	-81	2	2	0	16	283.439	3	↓ MOL2 SDF SMILES Flexibase

40768942

Analogs

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Popular Name: (1R,5S)-7-isopropyl-N-(m-tolyl)-7-azabicyclo[3.3.1]nonan-9-amine (1R,5S)-7-isopropyl-N-(m-tolyl)-…

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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)	5.09	10.17	-1.79	2	2	0	16	273.444	3	↓ MOL2 SDF SMILES Flexibase

40768944

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5S)-7-isopropyl-N-(6-methoxy-3-pyridyl)-7-azabicyclo[3.3.1]nonan-9-amine (1R,5S)-7-isopropyl-N-(6-methoxy…

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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)	3.99	6.21	-76.87	2	4	0	39	290.431	4	↓ MOL2 SDF SMILES Flexibase

40768946

Analogs

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Popular Name: (1R,5S)-7-isopropyl-N-[(1S)-1-phenylethyl]-7-azabicyclo[3.3.1]nonan-9-amine (1R,5S)-7-isopropyl-N-[(1S)-1-ph…

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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)	4.25	10.22	-0.79	2	2	0	16	287.471	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.26	10.75	-34.03	2	2	1	20	287.471	4	↓ MOL2 SDF SMILES Flexibase

40768948

Analogs

40768958
40769337
42372388
40768927

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5S)-N-cyclohexyl-7-isopropyl-7-azabicyclo[3.3.1]nonan-9-amine (1R,5S)-N-cyclohexyl-7-isopropyl…

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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)	4.20	9.75	-20.9	3	2	0	21	266.473	3	↓ MOL2 SDF SMILES Flexibase

40768950

Analogs

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Popular Name: (1R,5S)-7-isopropyl-N-phenyl-7-azabicyclo[3.3.1]nonan-9-amine (1R,5S)-7-isopropyl-N-phenyl-7-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)	4.66	9.52	-1.63	2	2	0	16	259.417	3	↓ MOL2 SDF SMILES Flexibase

40768958

Analogs

40769337
42372388
40768927
40768948

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5S)-7-isopropyl-N-[(1S)-1-methylpropyl]-7-azabicyclo[3.3.1]nonan-9-amine (1R,5S)-7-isopropyl-N-[(1S)-1-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)	3.51	8.68	-22.72	3	2	0	21	240.435	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.51	8.46	-32.17	2	2	1	20	239.427	4	↓ MOL2 SDF SMILES Flexibase

40768962

Analogs

40769145
70305378

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5S)-N-cyclopentyl-7-isopropyl-7-azabicyclo[3.3.1]nonan-9-amine (1R,5S)-N-cyclopentyl-7-isopropy…

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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)	3.70	9.27	-21.65	3	2	0	21	252.446	3	↓ MOL2 SDF SMILES Flexibase

40768964

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5S)-7-isopropyl-N-(3-pyridyl)-7-azabicyclo[3.3.1]nonan-9-amine (1R,5S)-7-isopropyl-N-(3-pyridyl…

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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)	3.59	7.74	-3.61	2	3	0	29	260.405	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.59	8.23	-46.92	3	3	0	31	261.413	3	↓ MOL2 SDF SMILES Flexibase

40768966

Analogs

48589339
40768919

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5S)-N-(cyclopropylmethyl)-7-isopropyl-7-azabicyclo[3.3.1]nonan-9-amine (1R,5S)-N-(cyclopropylmethyl)-7-…

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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	9.01	-42.13	3	2	0	21	238.419	4	↓ MOL2 SDF SMILES Flexibase

40768968

Analogs

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Popular Name: methyl 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)	2.16	6.49	-4.4	2	4	0	43	255.382	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.16	7.56	-48.71	3	4	0	47	256.39	5	↓ MOL2 SDF SMILES Flexibase

40768970

Analogs

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Popular Name: (1R,5S)-N-benzyl-7-isopropyl-7-azabicyclo[3.3.1]nonan-9-amine (1R,5S)-N-benzyl-7-isopropyl-7-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)	3.70	9.51	-1.03	2	2	0	16	273.444	4	↓ MOL2 SDF SMILES Flexibase

40768972

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5S)-7-isopropyl-N-(3-methylsulfanylphenyl)-7-azabicyclo[3.3.1]nonan-9-amine (1R,5S)-7-isopropyl-N-(3-methyls…

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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)	5.07	10.63	-76.33	2	2	0	16	305.511	4	↓ MOL2 SDF SMILES Flexibase

40768976

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5S)-7-isopropyl-N-(2-methoxyphenyl)-7-azabicyclo[3.3.1]nonan-9-amine (1R,5S)-7-isopropyl-N-(2-methoxy…

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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)	4.67	9.03	-2.74	2	3	0	26	289.443	4	↓ MOL2 SDF SMILES Flexibase

40768982

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5S)-7-isopropyl-N-[(1S)-2-methoxy-1-methyl-ethyl]-7-azabicyclo[3.3.1]nonan-9-amine (1R,5S)-7-isopropyl-N-[(1S)-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)	2.61	7.14	-38.63	3	3	0	30	256.434	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.61	6.2	-1.5	2	3	0	26	255.426	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.61	6.91	-30.95	2	3	1	29	255.426	5	↓ MOL2 SDF SMILES Flexibase

40768986

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5S)-7-isopropyl-N-(4-methylsulfanylphenyl)-7-azabicyclo[3.3.1]nonan-9-amine (1R,5S)-7-isopropyl-N-(4-methyls…

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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)	5.10	10.54	-72.98	2	2	0	16	305.511	4	↓ MOL2 SDF SMILES Flexibase

40768990

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5S)-N-isopentyl-7-isopropyl-7-azabicyclo[3.3.1]nonan-9-amine (1R,5S)-N-isopentyl-7-isopropyl-…

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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)	3.95	9.39	-25.27	3	2	0	21	254.462	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.95	9.18	-36.77	2	2	1	20	253.454	5	↓ MOL2 SDF SMILES Flexibase

40768993

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5S)-7-isopropyl-N-[2-(2-pyridyl)ethyl]-7-azabicyclo[3.3.1]nonan-9-amine (1R,5S)-7-isopropyl-N-[2-(2-pyri…

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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)	2.93	9.35	-20.81	3	3	0	34	289.467	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.93	8.3	-80.2	2	3	0	29	288.459	5	↓ MOL2 SDF SMILES Flexibase

40768997

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(1R,5S)-7-isopropyl-7-azabicyclo[3.3.1]nonan-9-yl]amino]cyclohexanol 4-[[(1R,5S)-7-isopropyl-7-azabic…

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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	6.41	-22.85	4	3	0	41	282.472	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 44440
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

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<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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