ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

54956932

Analogs

3957437

Draw Identity 99% 90% 80% 70%

Popular Name: tert-butyl 3,9-diazaspiro[5.6]dodecane-3-carboxylate tert-butyl 3,9-diazaspiro[5.6]do…

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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)	1.96	6.04	-45.68	2	4	1	46	269.409	2	↓ MOL2 SDF SMILES Flexibase

54956934

Analogs

70613189
70613190
70614307
70614308

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-3,9-diazaspiro[5.6]dodecane 3-methyl-3,9-diazaspiro[5.6]dode…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.92	5.47	-87.87	3	2	2	21	184.327	0	↓ MOL2 SDF SMILES Flexibase

67425126

Analogs

70613189
70613190
70614307
70614308

Draw Identity 99% 90% 80% 70%

Popular Name: 9-methyl-3,9-diazaspiro[5.6]dodecane 9-methyl-3,9-diazaspiro[5.6]dode…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.92	5.36	-86.93	3	2	2	21	184.327	0	↓ MOL2 SDF SMILES Flexibase

67433118

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(3,10-diazaspiro[5.6]dodecan-10-yl)-3-oxo-propyl]-N-methyl-methanesulfonamide N-[3-(3,10-diazaspiro[5.6]dodeca…

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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)	-0.08	3.31	-52.46	2	6	1	74	332.49	4	↓ MOL2 SDF SMILES Flexibase

67434495

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,10-diazaspiro[5.6]dodecan-10-yl)-4-(1H-indol-3-yl)butan-1-one 1-(3,10-diazaspiro[5.6]dodecan-1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.99	9.92	-53.05	3	4	1	53	354.518	4	↓ MOL2 SDF SMILES Flexibase

67434595

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-ethoxy-5-[(3-methyl-3,10-diazaspiro[5.6]dodecan-10-yl)methyl]phenyl]methanol [2-ethoxy-5-[(3-methyl-3,10-diaz…

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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)	2.62	8.88	-90.2	3	4	2	38	348.531	5	↓ MOL2 SDF SMILES Flexibase

67434930

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 10-methyl-3-[(E)-styryl]sulfonyl-3,10-diazaspiro[5.6]dodecane 10-methyl-3-[(E)-styryl]sulfonyl…

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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)	2.90	8.46	-44.41	1	4	1	42	349.52	3	↓ MOL2 SDF SMILES Flexibase

67435203

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[9-[(4-chlorophenyl)methyl]-3,9-diazaspiro[5.6]dodecan-3-yl]-2-methoxy-ethanone 1-[9-[(4-chlorophenyl)methyl]-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)	2.90	10.74	-52.99	1	4	1	34	365.925	4	↓ MOL2 SDF SMILES Flexibase

67447228

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)ethanone 2-[(5-amino-1,3,4-thiadiazol-2-y…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.39	6.15	-45.3	3	6	1	77	356.541	3	↓ MOL2 SDF SMILES Flexibase

67458312

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-fluorophenyl)sulfonyl-10-methyl-3,10-diazaspiro[5.6]dodecane 3-(2-fluorophenyl)sulfonyl-10-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)	2.54	7.17	-45.5	1	4	1	42	341.472	2	↓ MOL2 SDF SMILES Flexibase

67458888

Analogs

43990393
43990397
43990676
43990681

Draw Identity 99% 90% 80% 70%

Popular Name: 10-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-3,10-diazaspiro[5.6]dodecane 10-[[4-methoxy-3-(1,2,4-triazol-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.42	11.3	-97.83	3	6	2	61	371.529	5	↓ MOL2 SDF SMILES Flexibase

67458939

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,10-diazaspiro[5.6]dodecan-10-yl)-2-[4-(tetrazol-1-yl)phenoxy]ethanone 1-(3,10-diazaspiro[5.6]dodecan-1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.58	8.35	-64.39	2	8	1	90	371.465	4	↓ MOL2 SDF SMILES Flexibase

67459900

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1,3-benzodioxol-5-yloxy)-1-(3-methyl-3,9-diazaspiro[5.6]dodecan-9-yl)ethanone 2-(1,3-benzodioxol-5-yloxy)-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)	2.41	9.22	-52.85	1	6	1	52	361.462	3	↓ MOL2 SDF SMILES Flexibase

67460264

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,10-diazaspiro[5.6]dodecan-10-yl)-2-(2-phenylimidazol-1-yl)ethanone 1-(3,10-diazaspiro[5.6]dodecan-1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.04	9.49	-56.81	2	5	1	55	353.49	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.04	9.92	-82	3	5	2	56	354.498	3	↓ MOL2 SDF SMILES Flexibase

67472743

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-methyl-3,9-diazaspiro[5.6]dodecan-9-yl)-[4-(tetrazol-1-ylmethyl)phenyl]methanone (3-methyl-3,9-diazaspiro[5.6]dod…

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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)	1.06	10.48	-56.42	1	7	1	68	369.493	3	↓ MOL2 SDF SMILES Flexibase

67473478

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-3-(9-methyl-3,9-diazaspiro[5.6]dodecane-3-carbonyl)quinolin-2-one 1-methyl-3-(9-methyl-3,9-diazasp…

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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	10.16	-53.32	1	5	1	47	368.501	1	↓ MOL2 SDF SMILES Flexibase

67489933

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1-benzyl-5-methyl-triazol-4-yl)-(3-methyl-3,10-diazaspiro[5.6]dodecan-10-yl)methanone (1-benzyl-5-methyl-triazol-4-yl)…

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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	10.48	-43.13	1	6	1	55	382.532	3	↓ MOL2 SDF SMILES Flexibase

67490055

Analogs

44633114

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(3,10-diazaspiro[5.6]dodecan-10-yl)-3-pyridyl]-pyrrolidin-1-yl-methanone [2-(3,10-diazaspiro[5.6]dodecan-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.04	8.49	-45.22	2	5	1	53	343.495	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.04	9.12	-87.33	3	5	2	54	344.503	2	↓ MOL2 SDF SMILES Flexibase

67490906

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-methyl-3,10-diazaspiro[5.6]dodecan-10-yl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1- 1-(3-methyl-3,10-diazaspiro[5.6]…

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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)	1.76	8.85	-50.2	1	5	1	51	369.58	4	↓ MOL2 SDF SMILES Flexibase

67491018

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-(10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)-2-oxo-ethyl]oxazolidin-2-one 3-[2-(10-methyl-3,10-diazaspiro[…

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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)	0.58	6.91	-50.73	1	6	1	54	310.418	2	↓ MOL2 SDF SMILES Flexibase

67513984

Analogs

70613189
70613190
70614307
70614308

Draw Identity 99% 90% 80% 70%

Popular Name: 10-butyl-3,10-diazaspiro[5.6]dodecane 10-butyl-3,10-diazaspiro[5.6]dod…

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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	7.53	-88.52	3	2	2	21	226.408	3	↓ MOL2 SDF SMILES Flexibase

67514519

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-fluorophenyl)-1-(10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)propan-1-one 3-(2-fluorophenyl)-1-(10-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)	3.28	11.05	-42.77	1	3	1	25	333.471	3	↓ MOL2 SDF SMILES Flexibase

67514624

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2,6-dimethylpyrimidin-4-yl)-(3-methyl-3,10-diazaspiro[5.6]dodecan-10-yl)methanone (2,6-dimethylpyrimidin-4-yl)-(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)	1.39	8.86	-42.85	1	5	1	51	317.457	1	↓ MOL2 SDF SMILES Flexibase

67515076

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(3-methyl-3,9-diazaspiro[5.6]dodecane-9-carbonyl)-2-methylsulfanyl-1H-pyrimidin-6-one 5-(3-methyl-3,9-diazaspiro[5.6]d…

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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)	1.52	4.99	-80.85	1	6	0	74	350.488	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.06	6.98	-51.17	2	6	1	70	351.496	2	↓ MOL2 SDF SMILES Flexibase

67540064

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)sulfonyl]benzoic 3-[(10-methyl-3,10-diazaspiro[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)	2.31	7.84	-76.97	1	6	0	82	366.483	3	↓ MOL2 SDF SMILES Flexibase

67540076

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (9-methyl-3,9-diazaspiro[5.6]dodecan-3-yl)-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone (9-methyl-3,9-diazaspiro[5.6]dod…

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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)	2.42	9.5	-46.49	1	5	1	43	345.511	1	↓ MOL2 SDF SMILES Flexibase

67540484

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-chloro-1H-pyrazol-3-yl)-(3-methyl-3,9-diazaspiro[5.6]dodecan-9-yl)methanone (4-chloro-1H-pyrazol-3-yl)-(3-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)	1.78	7.34	-48.55	2	5	1	53	311.837	1	↓ MOL2 SDF SMILES Flexibase

67541454

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[(9-methyl-3,9-diazaspiro[5.6]dodecan-3-yl)methyl]phenyl]acetamide N-[4-[(9-methyl-3,9-diazaspiro[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)	2.14	10.05	-102.08	3	4	2	38	331.504	3	↓ MOL2 SDF SMILES Flexibase

67541775

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3,10-diazaspiro[5.6]dodecan-10-ylmethyl)quinolin-8-ol 2-(3,10-diazaspiro[5.6]dodecan-1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.13	6.89	-95.44	4	4	2	54	327.472	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.13	7.66	-100.89	3	4	1	57	326.464	2	↓ MOL2 SDF SMILES Flexibase

67560221

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[2-(3,10-diazaspiro[5.6]dodecan-10-yl)-2-oxo-ethoxy]phenyl]propanamide N-[4-[2-(3,10-diazaspiro[5.6]dod…

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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)	1.98	7.88	-56.01	3	6	1	75	374.505	5	↓ MOL2 SDF SMILES Flexibase

67725418

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(benzimidazol-1-yl)-1-(10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)ethanone 2-(benzimidazol-1-yl)-1-(10-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)	2.02	11.23	-51.81	1	5	1	43	341.479	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.02	11.71	-81.77	2	5	2	44	342.487	2	↓ MOL2 SDF SMILES Flexibase

67725774

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-methyl-3,9-diazaspiro[5.6]dodecan-9-yl)-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl) (3-methyl-3,9-diazaspiro[5.6]dod…

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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)	1.37	10.61	-41.57	1	6	1	55	346.499	1	↓ MOL2 SDF SMILES Flexibase

67726170

Analogs

35451921
35451931

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Popular Name: 3-(10-methyl-3,10-diazaspiro[5.6]dodecane-3-carbonyl)-1H-quinoxalin-2-one 3-(10-methyl-3,10-diazaspiro[5.6…

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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)	1.59	8.53	-51.84	2	6	1	70	355.462	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.49	6.67	-84.43	1	6	0	74	354.454	1	↓ MOL2 SDF SMILES Flexibase

67726197

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: cyclopropyl-[10-[(6-methyl-2-pyridyl)methyl]-3,10-diazaspiro[5.6]dodecan-3-yl]methanone cyclopropyl-[10-[(6-methyl-2-pyr…

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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)	1.99	10.29	-42.42	1	4	1	38	342.507	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.99	8.41	-10.31	0	4	0	36	341.499	3	↓ MOL2 SDF SMILES Flexibase

67726987

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-2-[2-(9-methyl-3,9-diazaspiro[5.6]dodecan-3-yl)-2-oxo-ethyl]phthalazin-1-one 4-methyl-2-[2-(9-methyl-3,9-diaz…

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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)	2.00	9.75	-51.73	1	6	1	60	383.516	2	↓ MOL2 SDF SMILES Flexibase

67727096

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1H-benzimidazol-5-yl-(3-methyl-3,9-diazaspiro[5.6]dodecan-9-yl)methanone 1H-benzimidazol-5-yl-(3-methyl-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)	1.55	9.24	-47.29	2	5	1	53	327.452	1	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.55	9.73	-91.28	3	5	2	55	328.46	1	↓ MOL2 SDF SMILES Flexibase

67727166

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(3,10-diazaspiro[5.6]dodecan-10-yl)-N-ethyl-pyridine-3-carboxamide 6-(3,10-diazaspiro[5.6]dodecan-1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.29	6.34	-50	3	5	1	62	317.457	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.29	6.62	-87.75	4	5	2	63	318.465	3	↓ MOL2 SDF SMILES Flexibase

67739723

Analogs

11815096
6949048

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3,5-dimethyl-4-(9-methyl-3,9-diazaspiro[5.6]dodecane-3-carbonyl)-1H-pyrrol-2-yl]ethanone 1-[3,5-dimethyl-4-(9-methyl-3,9-…

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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)	1.66	8.96	-50.38	2	5	1	58	346.495	2	↓ MOL2 SDF SMILES Flexibase

67740247

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,10-diazaspiro[5.6]dodecan-10-yl)-2-[(3-ethyl-1H-1,2,4-triazol-5-yl)sulfanyl]ethanone 1-(3,10-diazaspiro[5.6]dodecan-1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.90	6.47	-50.42	3	6	1	78	338.501	4	↓ MOL2 SDF SMILES Flexibase

67740832

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-(1,5-dimethylpyrazol-4-yl)isoxazol-3-yl]-(9-methyl-3,9-diazaspiro[5.6]dodecan-3-yl)methanone [5-(1,5-dimethylpyrazol-4-yl)iso…

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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)	1.79	8.74	-44.93	1	7	1	69	372.493	2	↓ MOL2 SDF SMILES Flexibase

67740931

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,10-diazaspiro[5.6]dodecan-10-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone 1-(3,10-diazaspiro[5.6]dodecan-1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.67	9.96	-93.85	3	4	2	41	343.515	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.67	7.76	-50.15	2	4	1	40	342.507	2	↓ MOL2 SDF SMILES Flexibase

67741833

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(3-methyl-3,10-diazaspiro[5.6]dodecane-10-carbonyl)phenyl]acetamide N-[3-(3-methyl-3,10-diazaspiro[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)	1.27	8.24	-55.62	2	5	1	54	344.479	2	↓ MOL2 SDF SMILES Flexibase

67742215

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,10-diazaspiro[5.6]dodecan-10-yl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-one 1-(3,10-diazaspiro[5.6]dodecan-1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.32	6.46	-49.95	3	5	1	66	319.473	3	↓ MOL2 SDF SMILES Flexibase

67743311

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 10-(o-tolylsulfonyl)-3,10-diazaspiro[5.6]dodecane 10-(o-tolylsulfonyl)-3,10-diazas…

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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	6.02	-40.85	2	4	1	54	323.482	2	↓ MOL2 SDF SMILES Flexibase

67754690

Analogs

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Popular Name: 10-isopropylsulfonyl-3,10-diazaspiro[5.6]dodecane 10-isopropylsulfonyl-3,10-diazas…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.04	4.05	-37.75	2	4	1	54	275.438	2	↓ MOL2 SDF SMILES Flexibase

67755204

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-3-(9-methyl-3,9-diazaspiro[5.6]dodecane-3-carbonyl)-1,5,6,7-tetrahydroindol-4-one 2-methyl-3-(9-methyl-3,9-diazasp…

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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)	1.42	9.41	-53.01	2	5	1	58	358.506	1	↓ MOL2 SDF SMILES Flexibase

67755488

Analogs

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Popular Name: 1-ethyl-7-methyl-3-(9-methyl-3,9-diazaspiro[5.6]dodecane-3-carbonyl)-1,8-naphthyridin-4-one 1-ethyl-7-methyl-3-(9-methyl-3,9…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.38	11.53	-57.53	1	6	1	60	397.543	2	↓ MOL2 SDF SMILES Flexibase

67755523

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 10-[(2-butyl-1H-imidazol-4-yl)methyl]-3,10-diazaspiro[5.6]dodecane 10-[(2-butyl-1H-imidazol-4-yl)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)	2.27	8.86	-88.73	4	4	2	50	306.498	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.27	6.59	-45.07	3	4	1	49	305.49	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.27	9.2	-169.9	5	4	3	51	307.506	5	↓ MOL2 SDF SMILES Flexibase

67934780

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)-2-(3-pyridyl)ethanone 1-(10-methyl-3,10-diazaspiro[5.6…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.41	8.43	-45.31	1	4	1	38	302.442	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.41	8.89	-78.45	2	4	2	39	303.45	2	↓ MOL2 SDF SMILES Flexibase

67934921

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3,6-dimethylpyrazin-2-yl)-9-methyl-3,9-diazaspiro[5.6]dodecane 3-(3,6-dimethylpyrazin-2-yl)-9-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)	2.08	8.93	-41.68	1	4	1	33	289.447	1	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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SQL Query Was

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