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)	1.59	6.47	-40.2	3	4	1	65	291.346	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.59	6	-10.62	2	4	0	63	290.338	2	↓ MOL2 SDF SMILES Flexibase

22358776

Analogs

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Popular Name: 3-[[methyl-[[4-(1-piperidyl)phenyl]methyl]amino]methyl]-3-azaspiro[4.5]decane-2,4-dione 3-[[methyl-[[4-(1-piperidyl)phen…

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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)	3.53	8.95	-8.29	0	5	0	44	383.536	5	↓ MOL2 SDF SMILES Flexibase

53614543

Analogs

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Popular Name: N-[4-[2-(2,4-dioxo-3-azaspiro[4.5]decan-3-yl)acetyl]-2-methylsulfanyl-phenyl]acetamide N-[4-[2-(2,4-dioxo-3-azaspiro[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)	1.83	8.68	-16.67	1	6	0	84	388.489	5	↓ MOL2 SDF SMILES Flexibase

53614771

Analogs

4490992
4490994

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Popular Name: N-(5-tert-butyl-2-methyl-pyrazol-3-yl)-2-(2,4-dioxo-3-azaspiro[4.5]decan-3-yl)acetamide N-(5-tert-butyl-2-methyl-pyrazol…

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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)	2.80	8.25	-17.43	1	7	0	84	360.458	4	↓ MOL2 SDF SMILES Flexibase

36864897

Analogs

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Popular Name: (2S)-2-(2,4-dioxo-3-azaspiro[4.5]decan-3-yl)-2-methyl-pentanoic (2S)-2-(2,4-dioxo-3-azaspiro[4.5…

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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)	0.24	8.3	-55.51	0	5	-1	78	280.344	4	↓ MOL2 SDF SMILES Flexibase

36864898

Analogs

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Popular Name: (2R)-2-(2,4-dioxo-3-azaspiro[4.5]decan-3-yl)-2-methyl-pentanoic (2R)-2-(2,4-dioxo-3-azaspiro[4.5…

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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)	0.24	8.3	-55.52	0	5	-1	78	280.344	4	↓ MOL2 SDF SMILES Flexibase

13128504

Analogs

14827664

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Popular Name: 2-(2,4-dioxo-3-azaspiro[4.5]decan-3-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide 2-(2,4-dioxo-3-azaspiro[4.5]deca…

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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)	1.97	6.27	-19.35	1	8	0	104	433.53	5	↓ MOL2 SDF SMILES Flexibase

36874411

Analogs

21710131
23733584

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Popular Name: 2-(2,4-dioxo-3-azaspiro[4.5]decan-3-yl)-N-[2-(3-methylphenoxy)ethyl]acetamide 2-(2,4-dioxo-3-azaspiro[4.5]deca…

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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)	2.82	7.51	-15.09	1	6	0	76	358.438	6	↓ MOL2 SDF SMILES Flexibase

22747250

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)	3.47	10.13	-16.72	1	7	0	93	432.542	5	↓ MOL2 SDF SMILES Flexibase

22747254

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)	3.47	10.14	-16.84	1	7	0	93	432.542	5	↓ MOL2 SDF SMILES Flexibase

54162061

Analogs

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Popular Name: 3-[(1S)-3-amino-1-ethyl-propyl]-3-azaspiro[4.5]decane-2,4-dione 3-[(1S)-3-amino-1-ethyl-propyl]-…

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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)	1.05	5.56	-44.49	3	4	1	65	253.366	4	↓ MOL2 SDF SMILES Flexibase

54162062

Analogs

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Popular Name: 3-[(1R)-3-amino-1-ethyl-propyl]-3-azaspiro[4.5]decane-2,4-dione 3-[(1R)-3-amino-1-ethyl-propyl]-…

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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)	1.05	5.56	-44.38	3	4	1	65	253.366	4	↓ MOL2 SDF SMILES Flexibase

36881002

Analogs

11566293

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Popular Name: 3-[4-[(1S)-1-aminoethyl]phenyl]-3-azaspiro[4.5]decane-2,4-dione 3-[4-[(1S)-1-aminoethyl]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)	0.21	6.69	-50.42	3	4	1	65	287.383	2	↓ MOL2 SDF SMILES Flexibase

36881003

Analogs

11566293

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[4-[(1R)-1-aminoethyl]phenyl]-3-azaspiro[4.5]decane-2,4-dione 3-[4-[(1R)-1-aminoethyl]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)	0.21	6.69	-50.74	3	4	1	65	287.383	2	↓ MOL2 SDF SMILES Flexibase

36881026

Analogs

13549269

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Popular Name: 3-[3-[(1S)-1-aminoethyl]phenyl]-3-azaspiro[4.5]decane-2,4-dione 3-[3-[(1S)-1-aminoethyl]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)	0.18	6.69	-50.14	3	4	1	65	287.383	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.18	6.4	-10.15	2	4	0	63	286.375	2	↓ MOL2 SDF SMILES Flexibase

36881027

Analogs

13549269

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Popular Name: 3-[3-[(1R)-1-aminoethyl]phenyl]-3-azaspiro[4.5]decane-2,4-dione 3-[3-[(1R)-1-aminoethyl]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)	0.18	6.69	-49.68	3	4	1	65	287.383	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.18	6.36	-11.33	2	4	0	63	286.375	2	↓ MOL2 SDF SMILES Flexibase

36881050

Analogs

4845901

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Popular Name: 3-[2-[(1S)-1-aminoethyl]phenyl]-3-azaspiro[4.5]decane-2,4-dione 3-[2-[(1S)-1-aminoethyl]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)	0.16	6.88	-48.33	3	4	1	65	287.383	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.16	6.55	-10.33	2	4	0	63	286.375	2	↓ MOL2 SDF SMILES Flexibase

36881051

Analogs

4845901

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Popular Name: 3-[2-[(1R)-1-aminoethyl]phenyl]-3-azaspiro[4.5]decane-2,4-dione 3-[2-[(1R)-1-aminoethyl]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)	0.16	6.97	-48.18	3	4	1	65	287.383	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.16	6.71	-10.22	2	4	0	63	286.375	2	↓ MOL2 SDF SMILES Flexibase

36881163

Analogs

16991721
4723006

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Popular Name: 2-(4-aminocyclohexyl)-2-azaspiro[4.5]decane-1,3-dione 2-(4-aminocyclohexyl)-2-azaspiro…

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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	5.17	-46.06	3	4	1	65	265.377	1	↓ MOL2 SDF SMILES Flexibase

36881176

Analogs

16991721
4723006

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Popular Name: 3-[4-(methylamino)cyclohexyl]-3-azaspiro[4.5]decane-2,4-dione 3-[4-(methylamino)cyclohexyl]-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)	1.81	6.43	-37.04	2	4	1	54	279.404	2	↓ MOL2 SDF SMILES Flexibase

36881189

Analogs

16991721
4723006

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Popular Name: 3-[4-(ethylamino)cyclohexyl]-3-azaspiro[4.5]decane-2,4-dione 3-[4-(ethylamino)cyclohexyl]-3-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)	2.19	7.71	-39.67	2	4	1	54	293.431	3	↓ MOL2 SDF SMILES Flexibase

54433238

Analogs

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Popular Name: 3-(1H-indazol-3-yl)-3-azaspiro[4.5]decane-2,4-dione 3-(1H-indazol-3-yl)-3-azaspiro[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)	2.15	7.31	-16.71	1	5	0	66	283.331	1	↓ MOL2 SDF SMILES Flexibase

23043535

Analogs

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Popular Name: N-cyclopentyl-2-[[2-(2,4-dioxo-3-azaspiro[4.5]decan-3-yl)acetyl]amino]benzamide N-cyclopentyl-2-[[2-(2,4-dioxo-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)	2.82	8.78	-18.84	2	7	0	96	411.502	5	↓ MOL2 SDF SMILES Flexibase

68869915

Analogs

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Popular Name: 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-8-methyl-2-azaspiro[4.5]decane-1,3-dione 2-(1,4-dioxa-8-azaspiro[4.5]deca…

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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)	1.17	5.46	-9.24	0	6	0	59	336.432	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.17	7.78	-33.41	1	6	1	60	337.44	2	↓ MOL2 SDF SMILES Flexibase

68870795

Analogs

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Popular Name: 3-[[(3,5-dimethylisoxazol-4-yl)methyl-methyl-amino]methyl]-8-methyl-3-azaspiro[4.5]decane-2,4-dione 3-[[(3,5-dimethylisoxazol-4-yl)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)	1.15	6.19	-10.78	0	6	0	67	333.432	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.15	8.59	-44.25	1	6	1	68	334.44	4	↓ MOL2 SDF SMILES Flexibase

14242162

Analogs

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Popular Name: 3-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxo-ethyl]-3-azaspiro[4.5]decane-2,4-dione 3-[2-(2,5-dimethyl-1H-pyrrol-3-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)	1.54	7.77	-13.94	1	5	0	70	302.374	3	↓ MOL2 SDF SMILES Flexibase

14242968

Analogs

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Popular Name: 4-[[2-(2,4-dioxo-3-azaspiro[4.5]decan-3-yl)acetyl]amino]-N-(3-sulfamoylphenyl)benzamide 4-[[2-(2,4-dioxo-3-azaspiro[4.5]…

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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)	1.84	4.08	-28.25	4	10	0	156	498.561	6	↓ MOL2 SDF SMILES Flexibase

14244789

Analogs

23245427

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Popular Name: 3-[[4-(1,3-benzoxazol-2-yl)-1-piperidyl]methyl]-3-azaspiro[4.5]decane-2,4-dione 3-[[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)	3.15	9.48	-41.42	1	6	1	68	382.484	3	↓ MOL2 SDF SMILES Flexibase

14245683

Analogs

21867440

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Popular Name: 3-[[4-(2-naphthylsulfonyl)piperazin-1-yl]methyl]-3-azaspiro[4.5]decane-2,4-dione 3-[[4-(2-naphthylsulfonyl)pipera…

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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)	3.11	8.56	-15.47	0	7	0	78	455.58	4	↓ MOL2 SDF SMILES Flexibase

14246724

Analogs

14246725

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Popular Name: 4-[(2R)-3-(2,4-dioxo-3-azaspiro[4.5]decan-3-yl)-2-hydroxy-propoxy]benzonitrile 4-[(2R)-3-(2,4-dioxo-3-azaspiro[…

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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)	1.90	6.21	-12.85	1	6	0	91	342.395	5	↓ MOL2 SDF SMILES Flexibase

14246725

Analogs

14246724

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Popular Name: 4-[(2S)-3-(2,4-dioxo-3-azaspiro[4.5]decan-3-yl)-2-hydroxy-propoxy]benzonitrile 4-[(2S)-3-(2,4-dioxo-3-azaspiro[…

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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)	1.90	6.32	-12.61	1	6	0	91	342.395	5	↓ MOL2 SDF SMILES Flexibase

14246726

Analogs

14246727

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Popular Name: 3-[(2R)-3-[(2-chlorophenyl)methoxy]-2-hydroxy-propyl]-3-azaspiro[4.5]decane-2,4-dione 3-[(2R)-3-[(2-chlorophenyl)metho…

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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	6.94	-10.01	1	5	0	67	365.857	6	↓ MOL2 SDF SMILES Flexibase

14246727

Analogs

14246726

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Popular Name: 3-[(2S)-3-[(2-chlorophenyl)methoxy]-2-hydroxy-propyl]-3-azaspiro[4.5]decane-2,4-dione 3-[(2S)-3-[(2-chlorophenyl)metho…

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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	7.02	-9.79	1	5	0	67	365.857	6	↓ MOL2 SDF SMILES Flexibase

14248638

Analogs

23675381

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Popular Name: 3-[[4-(2-thienylsulfonyl)piperazin-1-yl]methyl]-3-azaspiro[4.5]decane-2,4-dione 3-[[4-(2-thienylsulfonyl)piperaz…

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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)	1.87	4.63	-13.87	0	7	0	78	411.549	4	↓ MOL2 SDF SMILES Flexibase

52569350

Analogs

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Popular Name: 3-[[4-(2-pyridyl)piperazin-1-yl]methyl]-3-azaspiro[4.5]decane-2,4-dione 3-[[4-(2-pyridyl)piperazin-1-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)	1.81	7.85	-32.26	1	6	1	58	343.451	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.81	7.53	-9.89	0	6	0	57	342.443	3	↓ MOL2 SDF SMILES Flexibase

68921009

Analogs

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Popular Name: 8-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]-2-azaspiro[4.5]decane-1,3-dione 8-methyl-2-[(5-methylsulfanyl-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	6.38	-11.41	0	5	0	63	325.459	3	↓ MOL2 SDF SMILES Flexibase

68921282

Analogs

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Popular Name: 2-[(1,3-dimethyl-2,6-dioxo-pyrimidin-4-yl)methyl]-8-methyl-2-azaspiro[4.5]decane-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)	0.03	6.84	-12.02	0	7	0	81	333.388	2	↓ MOL2 SDF SMILES Flexibase

68921429

Analogs

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Popular Name: 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-8-methyl-2-azaspiro[4.5]decane-1,3-dione 2-[[4-amino-6-(dimethylamino)-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)	0.51	9.43	-12.24	2	8	0	105	332.408	3	↓ MOL2 SDF SMILES Flexibase

16873558

Analogs

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Popular Name: 3-[[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]methyl]-3-azaspiro[4.5]decane-2,4-dione 3-[[[(1R)-1-(1,3-benzothiazol-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)	3.25	7.72	-11.51	0	5	0	54	371.506	4	↓ MOL2 SDF SMILES Flexibase

16873559

Analogs

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Popular Name: 3-[[[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]methyl]-3-azaspiro[4.5]decane-2,4-dione 3-[[[(1S)-1-(1,3-benzothiazol-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)	3.25	7.87	-12.38	0	5	0	54	371.506	4	↓ MOL2 SDF SMILES Flexibase

16874262

Analogs

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Popular Name: 3-[[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-3-azaspiro[4.5]decane-2,4-dione 3-[[(2R)-2-(2,5-dimethoxyphenyl)…

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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)	3.15	8.24	-10.86	0	6	0	59	386.492	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.15	9.85	-29.63	1	6	1	60	387.5	5	↓ MOL2 SDF SMILES Flexibase

62838719

Analogs

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Popular Name: 3-[(2S)-2-amino-2-phenyl-ethyl]-3-azaspiro[4.5]decane-2,4-dione 3-[(2S)-2-amino-2-phenyl-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)	0.22	6.92	-40.13	3	4	1	65	287.383	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.22	6.53	-7.05	2	4	0	63	286.375	3	↓ MOL2 SDF SMILES Flexibase

62838720

Analogs

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Popular Name: 3-[(2R)-2-amino-2-phenyl-ethyl]-3-azaspiro[4.5]decane-2,4-dione 3-[(2R)-2-amino-2-phenyl-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)	0.22	6.92	-39.59	3	4	1	65	287.383	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.22	6.59	-7.27	2	4	0	63	286.375	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 17809 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
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