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ZINC Item

Suppliers, Protomers, & Similar Substances

10498981

Analogs

20823087
20823090
23656566
10498957
5341681

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,4-diazaspiro[4.6]undecane-1,3-dione 2-[[5-(4-bromophenyl)-1,3,4-oxad…

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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	-3.63	-10.54	1	7	0	88	419.279	3	↓ MOL2 SDF SMILES Flexibase

10498996

Analogs

12951634
10498971

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[3-(4-methoxyphenyl)isoxazol-5-yl]methyl]-2,4-diazaspiro[4.6]undecane-1,3-dione 2-[[3-(4-methoxyphenyl)isoxazol-…

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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	0.73	-11.01	1	7	0	84	369.421	4	↓ MOL2 SDF SMILES Flexibase

10499000

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1,3-dimethyl-2,6-dioxo-pyrimidin-4-yl)methyl]-2,4-diazaspiro[4.6]undecane-1,3-dione 2-[(1,3-dimethyl-2,6-dioxo-pyrim…

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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)	0.81	-0.87	-11.84	1	8	0	93	334.376	2	↓ MOL2 SDF SMILES Flexibase

20895400

Analogs

20895403
28851068
28851070
28851195
28851197

Draw Identity 99% 90% 80% 70%

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)	4.02	8.85	-17.01	2	8	0	105	447.557	5	↓ MOL2 SDF SMILES Flexibase

20895403

Analogs

28851068
28851070
28851195
28851197
28851199

Draw Identity 99% 90% 80% 70%

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)	4.02	9.19	-17.59	2	8	0	105	447.557	5	↓ MOL2 SDF SMILES Flexibase

36640864

Analogs

2620150
5342166

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzhydryl-2-(1,3-dioxo-2,4-diazaspiro[4.6]undecan-2-yl)-N-methyl-acetamide N-benzhydryl-2-(1,3-dioxo-2,4-di…

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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)	4.18	11.3	-14.33	1	6	0	70	419.525	5	↓ MOL2 SDF SMILES Flexibase

13008000

Analogs

13008001
22014620
22014628

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[cyclopropyl-[(3R)-1,1-dioxothiolan-3-yl]amino]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione 3-[[cyclopropyl-[(3R)-1,1-dioxot…

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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	2.98	-14.72	1	7	0	87	369.487	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.56	4.99	-48.11	2	7	1	88	370.495	4	↓ MOL2 SDF SMILES Flexibase

13008001

Analogs

22014620
22014628
13008000

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[cyclopropyl-[(3S)-1,1-dioxothiolan-3-yl]amino]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione 3-[[cyclopropyl-[(3S)-1,1-dioxot…

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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	2.93	-15.37	1	7	0	87	369.487	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.56	5.05	-49.57	2	7	1	88	370.495	4	↓ MOL2 SDF SMILES Flexibase

22704257

Analogs

45668495
5292867
4469415

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-[(1,3-dioxo-2,4-diazaspiro[4.6]undecan-2-yl)methyl]phenyl]methyl]-2,4-diazaspiro[4.6]undecane- 2-[[4-[(1,3-dioxo-2,4-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)	4.17	10.67	-13.85	2	8	0	99	466.582	4	↓ MOL2 SDF SMILES Flexibase

22704260

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-(4-isopropyl-3-methyl-phenoxy)ethyl]-2,4-diazaspiro[4.6]undecane-1,3-dione 2-[2-(4-isopropyl-3-methyl-pheno…

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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)	4.75	9.34	-10.23	1	5	0	59	358.482	5	↓ MOL2 SDF SMILES Flexibase

36874972

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-(2,5-diethylphenyl)-2-oxo-ethyl]-2,4-diazaspiro[4.6]undecane-1,3-dione 2-[2-(2,5-diethylphenyl)-2-oxo-e…

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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)	4.56	10.32	-10.63	1	5	0	66	356.466	5	↓ MOL2 SDF SMILES Flexibase

36874973

Analogs

3338764

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl]-2,4-diazaspiro[4.6]undecane-1,3-dione 2-[2-oxo-2-(2,3,4,5-tetramethylp…

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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)	4.38	10.11	-12.13	1	5	0	66	356.466	3	↓ MOL2 SDF SMILES Flexibase

36874974

Analogs

36874975

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1,3-dioxo-2,4-diazaspiro[4.6]undecan-2-yl)-N-[(1S)-2-methoxy-1-methyl-ethyl]acetamide 2-(1,3-dioxo-2,4-diazaspiro[4.6]…

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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)	1.58	3.11	-12.21	2	7	0	88	311.382	5	↓ MOL2 SDF SMILES Flexibase

36874975

Analogs

36874974

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1,3-dioxo-2,4-diazaspiro[4.6]undecan-2-yl)-N-[(1R)-2-methoxy-1-methyl-ethyl]acetamide 2-(1,3-dioxo-2,4-diazaspiro[4.6]…

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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)	1.58	3.39	-12.59	2	7	0	88	311.382	5	↓ MOL2 SDF SMILES Flexibase

36879713

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3-methylquinoxalin-2-yl)methyl]-2,4-diazaspiro[4.6]undecane-1,3-dione 2-[(3-methylquinoxalin-2-yl)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)	3.31	6.48	-12.15	1	6	0	75	338.411	2	↓ MOL2 SDF SMILES Flexibase

22758056

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[[(1R)-indan-1-yl]-methyl-amino]methyl]-2,4-diazaspiro[4.6]undecane-1,3-dione 2-[[[(1R)-indan-1-yl]-methyl-ami…

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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)	3.52	7.28	-8.99	1	5	0	53	341.455	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.52	9.82	-33.63	2	5	1	54	342.463	3	↓ MOL2 SDF SMILES Flexibase

22758061

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[[(1S)-indan-1-yl]-methyl-amino]methyl]-2,4-diazaspiro[4.6]undecane-1,3-dione 2-[[[(1S)-indan-1-yl]-methyl-ami…

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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)	3.52	7.23	-8.98	1	5	0	53	341.455	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.52	9.76	-32.88	2	5	1	54	342.463	3	↓ MOL2 SDF SMILES Flexibase

22774204

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-(1-naphthylmethyl)piperazin-1-yl]methyl]-2,4-diazaspiro[4.6]undecane-1,3-dione 2-[[4-(1-naphthylmethyl)piperazi…

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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)	4.12	8.13	-9.88	1	6	0	56	420.557	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.12	10.43	-42.27	2	6	1	57	421.565	4	↓ MOL2 SDF SMILES Flexibase

24992333

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1,3-dioxo-2,4-diazaspiro[4.6]undecan-2-yl)methyl]-1-ethyl-N,N-dimethyl-benzimidazole-5-sulfonami 2-[(1,3-dioxo-2,4-diazaspiro[4.6…

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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)	2.38	6.79	-17.78	1	9	0	105	447.561	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.38	7.18	-33.92	2	9	1	106	448.569	5	↓ MOL2 SDF SMILES Flexibase

56696150

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-chlorophenyl)-2-[(1,3-dioxo-2,4-diazaspiro[4.6]undecan-2-yl)methyl-methyl-amino]acetamide N-(2-chlorophenyl)-2-[(1,3-dioxo…

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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)	3.48	5.68	-11.95	2	7	0	82	392.887	5	↓ MOL2 SDF SMILES Flexibase

57995731

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[[1-(4-bromophenyl)cyclobutyl]amino]methyl]-2,4-diazaspiro[4.6]undecane-1,3-dione 2-[[[1-(4-bromophenyl)cyclobutyl…

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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)	4.56	8.12	-5.55	2	5	0	61	420.351	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.56	9.26	-35.92	3	5	1	66	421.359	4	↓ MOL2 SDF SMILES Flexibase

58320993

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[2-(4-chlorophenyl)oxazol-4-yl]methyl]-2,4-diazaspiro[4.6]undecane-1,3-dione 2-[[2-(4-chlorophenyl)oxazol-4-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)	4.18	6.6	-10.35	1	6	0	75	373.84	3	↓ MOL2 SDF SMILES Flexibase

14229294

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(benzyl-isopropyl-amino)methyl]-2,4-diazaspiro[4.6]undecane-1,3-dione 2-[(benzyl-isopropyl-amino)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)	3.75	7.83	-6.51	1	5	0	53	343.471	5	↓ MOL2 SDF SMILES Flexibase

14231845

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-(1,3-benzoxazol-2-yl)-1-piperidyl]methyl]-2,4-diazaspiro[4.6]undecane-1,3-dione 2-[[4-(1,3-benzoxazol-2-yl)-1-pi…

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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	8.34	-41.83	2	7	1	80	397.499	3	↓ MOL2 SDF SMILES Flexibase

14234675

Analogs

14234680
21558986
21558988
21558991
21558994

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]-2,4-diazaspiro[4.6]undecane-1,3-di 2-[(2S)-2-hydroxy-3-[2-methoxy-4…

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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)	3.39	7.01	-13.22	2	7	0	88	402.491	7	↓ MOL2 SDF SMILES Flexibase

14234680

Analogs

21558986
21558988
21558991
21558994
14234675

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R)-2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]-2,4-diazaspiro[4.6]undecane-1,3-di 2-[(2R)-2-hydroxy-3-[2-methoxy-4…

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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)	3.39	6.55	-13.38	2	7	0	88	402.491	7	↓ MOL2 SDF SMILES Flexibase

14238827

Analogs

14238830

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[[(S)-(4-fluorophenyl)-phenyl-methyl]-methyl-amino]methyl]-2,4-diazaspiro[4.6]undecane-1,3-dione 2-[[[(S)-(4-fluorophenyl)-phenyl…

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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)	5.01	10.52	-8.1	1	5	0	53	409.505	5	↓ MOL2 SDF SMILES Flexibase

14238830

Analogs

14238827

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[[(R)-(4-fluorophenyl)-phenyl-methyl]-methyl-amino]methyl]-2,4-diazaspiro[4.6]undecane-1,3-dione 2-[[[(R)-(4-fluorophenyl)-phenyl…

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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)	5.01	10.63	-8.09	1	5	0	53	409.505	5	↓ MOL2 SDF SMILES Flexibase

14241722

Analogs

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Popular Name: 2-[[(4-benzyloxy-3-methoxy-phenyl)methyl-methyl-amino]methyl]-2,4-diazaspiro[4.6]undecane-1,3-dione 2-[[(4-benzyloxy-3-methoxy-pheny…

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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)	4.31	9.46	-12.8	1	7	0	71	451.567	8	↓ MOL2 SDF SMILES Flexibase

14241745

Analogs

34872389

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1,3-dioxo-2,4-diazaspiro[4.6]undecan-2-yl)methyl-methyl-amino]-N-(4-fluorophenyl)acetamide 2-[(1,3-dioxo-2,4-diazaspiro[4.6…

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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)	3.01	5.12	-14.38	2	7	0	82	376.432	5	↓ MOL2 SDF SMILES Flexibase

14248589

Analogs

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Popular Name: 2-[(methyl-(2-phenoxyethyl)amino)methyl]-2,4-diazaspiro[4.6]undecane-1,3-dione 2-[(methyl-(2-phenoxyethyl)amino…

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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)	3.36	6.04	-10.7	1	6	0	62	345.443	6	↓ MOL2 SDF SMILES Flexibase

14248680

Analogs

23702371

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Popular Name: 2-[[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methyl]-2,4-diazaspiro[4.6]undecane-1,3-dione 2-[[4-(p-tolylsulfonyl)-1,4-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)	3.19	6.78	-12.9	1	8	0	90	448.589	4	↓ MOL2 SDF SMILES Flexibase

14253966

Analogs

14253969

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Popular Name: 2-[(2R)-3-(2,4-dichlorophenoxy)-2-hydroxy-propyl]-2,4-diazaspiro[4.6]undecane-1,3-dione 2-[(2R)-3-(2,4-dichlorophenoxy)-…

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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)	3.98	6.01	-11.25	2	6	0	79	401.29	5	↓ MOL2 SDF SMILES Flexibase

14253969

Analogs

14253966

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-3-(2,4-dichlorophenoxy)-2-hydroxy-propyl]-2,4-diazaspiro[4.6]undecane-1,3-dione 2-[(2S)-3-(2,4-dichlorophenoxy)-…

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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)	3.98	6.16	-10.95	2	6	0	79	401.29	5	↓ MOL2 SDF SMILES Flexibase

3592698

Analogs

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Popular Name: 2-(1,3-benzothiazol-2-ylmethyl)-2,4-diazaspiro[4.6]undecane-1,3-quinone 2-(1,3-benzothiazol-2-ylmethyl)-…

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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	-2.29	-11.61	1	5	0	62	329.425	2	↓ MOL2 SDF SMILES Flexibase

3592699

Analogs

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Popular Name: 2-(1,3-diketo-2,4-diazaspiro[4.6]undecan-2-yl)-N-(3-fluorophenyl)acetamide 2-(1,3-diketo-2,4-diazaspiro[4.6…

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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)	2.97	6.04	-12.89	2	6	0	79	333.363	3	↓ MOL2 SDF SMILES Flexibase

3592701

Analogs

5342188
5342190
3345113
3345115

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chloro-2-methyl-phenyl)-2-(1,3-diketo-2,4-diazaspiro[4.6]undecan-2-yl)acetamide N-(4-chloro-2-methyl-phenyl)-2-(…

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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)	3.88	-1.26	-13.22	2	6	0	78	363.845	3	↓ MOL2 SDF SMILES Flexibase

3592704

Analogs

5342195
5342197
3435235

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1,3-diketo-2,4-diazaspiro[4.6]undecan-2-yl)-N-(3-fluoro-4-methyl-phenyl)acetamide 2-(1,3-diketo-2,4-diazaspiro[4.6…

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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)	3.37	-0.63	-16.72	2	6	0	78	347.39	3	↓ MOL2 SDF SMILES Flexibase

3592705

Analogs

8538234
8538236

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1,3-diketo-2,4-diazaspiro[4.6]undecan-2-yl)-N-[(1R)-tetralin-1-yl]acetamide 2-(1,3-diketo-2,4-diazaspiro[4.6…

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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)	2.73	-2.45	-14.2	2	6	0	78	369.465	3	↓ MOL2 SDF SMILES Flexibase

3592707

Analogs

8538234
8538236

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1,3-diketo-2,4-diazaspiro[4.6]undecan-2-yl)-N-[(1S)-tetralin-1-yl]acetamide 2-(1,3-diketo-2,4-diazaspiro[4.6…

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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)	2.73	-2.44	-14.01	2	6	0	78	369.465	3	↓ MOL2 SDF SMILES Flexibase

3592709

Analogs

4287912
6379419
7131783
7974571
8193869

Draw Identity 99% 90% 80% 70%

Popular Name: N-(tert-butylcarbamoyl)-2-(1,3-diketo-2,4-diazaspiro[4.6]undecan-2-yl)acetamide N-(tert-butylcarbamoyl)-2-(1,3-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)	2.10	-2.93	-21.79	3	8	0	107	338.408	3	↓ MOL2 SDF SMILES Flexibase

3592714

Analogs

4469405
39576280

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-(4-methylphenoxy)ethyl]-2,4-diazaspiro[4.6]undecane-1,3-quinone 2-[2-(4-methylphenoxy)ethyl]-2,4…

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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)	3.79	-0.58	-9.13	1	5	0	58	316.401	4	↓ MOL2 SDF SMILES Flexibase

3592715

Analogs

36671567

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Popular Name: 2-[2-(4-methoxyphenoxy)ethyl]-2,4-diazaspiro[4.6]undecane-1,3-quinone 2-[2-(4-methoxyphenoxy)ethyl]-2,…

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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	-0.9	-10	1	6	0	67	332.4	5	↓ MOL2 SDF SMILES Flexibase

3592717

Analogs

4287912
6379419
7131783
7974571
8193869

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1,3-diketo-2,4-diazaspiro[4.6]undecan-2-yl)-N-(isopropylcarbamoyl)acetamide 2-(1,3-diketo-2,4-diazaspiro[4.6…

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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	-3.17	-22.53	3	8	0	107	324.381	3	↓ MOL2 SDF SMILES Flexibase

3592718

Analogs

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Popular Name: 2-[2-keto-2-(3-keto-2,4-dihydroquinoxalin-1-yl)ethyl]-2,4-diazaspiro[4.6]undecane-1,3-quinone 2-[2-keto-2-(3-keto-2,4-dihydroq…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.06	-2.51	-15.83	2	8	0	98	370.409	2	↓ MOL2 SDF SMILES Flexibase

3592719

Analogs

2622066

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-tert-butylphenyl)-2-(1,3-diketo-2,4-diazaspiro[4.6]undecan-2-yl)acetamide N-(2-tert-butylphenyl)-2-(1,3-di…

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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)	4.49	9.06	-12.99	2	6	0	79	371.481	4	↓ MOL2 SDF SMILES Flexibase

3592723

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,4-dichlorobenzyl)-2-(1,3-diketo-2,4-diazaspiro[4.6]undecan-2-yl)acetamide N-(2,4-dichlorobenzyl)-2-(1,3-di…

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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	-2.75	-12.35	2	6	0	78	398.29	4	↓ MOL2 SDF SMILES Flexibase

3592724

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-cyclohexen-1-ylethyl)-2-(2,4-diketo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide N-(2-cyclohexen-1-ylethyl)-2-(2,…

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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)	3.64	-2.49	-13.07	2	6	0	78	347.459	5	↓ MOL2 SDF SMILES Flexibase

3592725

Analogs

39543128
39543130
39543132
39543135

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1,3-diketo-2,4-diazaspiro[4.6]undecan-2-yl)-N-(2-phenylphenyl)acetamide 2-(1,3-diketo-2,4-diazaspiro[4.6…

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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)	4.58	-0.17	-12.88	2	6	0	78	391.471	4	↓ MOL2 SDF SMILES Flexibase

3592727

Analogs

14249672
14249674

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(2,4-dichlorophenyl)ethyl]-2-(1,3-diketo-2,4-diazaspiro[4.6]undecan-2-yl)acetamide N-[2-(2,4-dichlorophenyl)ethyl]-…

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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)	4.35	-2.62	-14.87	2	6	0	78	412.317	5	↓ MOL2 SDF SMILES Flexibase

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