ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

67434291

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[3-(benzimidazol-1-yl)propanoyl]-3,9-diazaspiro[5.6]dodecan-10-one 3-[3-(benzimidazol-1-yl)propanoy…

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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	8.07	-18.55	1	6	0	67	354.454	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.37	8.55	-46.47	2	6	1	68	355.462	3	↓ MOL2 SDF SMILES Flexibase

67434749

Analogs

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Popular Name: 3-[2-(4-methylsulfonylphenyl)acetyl]-3,9-diazaspiro[5.6]dodecan-10-one 3-[2-(4-methylsulfonylphenyl)ace…

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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)	0.59	4.04	-23.85	1	6	0	84	378.494	3	↓ MOL2 SDF SMILES Flexibase

67447144

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-indolin-1-yl-2-(10-oxo-3,9-diazaspiro[5.6]dodecan-3-yl)ethane-1,2-dione 1-indolin-1-yl-2-(10-oxo-3,9-dia…

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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)	0.96	6.05	-18.7	1	6	0	70	355.438	1	↓ MOL2 SDF SMILES Flexibase

67447266

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2-butyl-5-chloro-1H-imidazol-4-yl)methyl]-3,9-diazaspiro[5.6]dodecan-10-one 3-[(2-butyl-5-chloro-1H-imidazol…

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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	7.19	-44.48	3	5	1	62	353.918	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.75	4.95	-10.69	2	5	0	61	352.91	5	↓ MOL2 SDF SMILES Flexibase

67459060

Analogs

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Popular Name: 3-(2-naphthylsulfonyl)-3,9-diazaspiro[5.6]dodecan-10-one 3-(2-naphthylsulfonyl)-3,9-diaza…

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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)	2.69	5.84	-15.81	1	5	0	66	372.49	2	↓ MOL2 SDF SMILES Flexibase

67472928

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(4-fluorophenyl)ethyl]-9-methyl-10-oxo-3,9-diazaspiro[5.6]dodecane-3-carboxamide N-[2-(4-fluorophenyl)ethyl]-9-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)	3.01	8.51	-18.47	1	5	0	53	361.461	3	↓ MOL2 SDF SMILES Flexibase

67473156

Analogs

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Popular Name: 9-methyl-3-[2-(1,2,3,6-tetrahydropyridin-4-yl)acetyl]-3,9-diazaspiro[5.6]dodecan-10-one 9-methyl-3-[2-(1,2,3,6-tetrahydr…

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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)	0.46	6.5	-48.12	2	5	1	57	320.457	2	↓ MOL2 SDF SMILES Flexibase

67473250

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(1H-indole-2-carbonyl)-3,9-diazaspiro[5.6]dodecan-10-one 3-(1H-indole-2-carbonyl)-3,9-dia…

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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	5.93	-15.58	2	5	0	65	325.412	1	↓ MOL2 SDF SMILES Flexibase

67473257

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(1H-imidazole-5-carbonyl)-3,9-diazaspiro[5.6]dodecan-10-one 3-(1H-imidazole-5-carbonyl)-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)	-0.14	3.57	-18.34	2	6	0	78	276.34	1	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	-0.14	4.09	-51.83	3	6	1	79	277.348	1	↓ MOL2 SDF SMILES Flexibase

67473284

Analogs

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Popular Name: 9-methyl-3-(4-pyridylmethyl)-3,9-diazaspiro[5.6]dodecan-10-one 9-methyl-3-(4-pyridylmethyl)-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)	0.95	7.8	-54.24	1	4	1	38	288.415	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.95	5.52	-10.08	0	4	0	36	287.407	2	↓ MOL2 SDF SMILES Flexibase

67490614

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-methyl-1,8-naphthyridine-3-carbonyl)-3,9-diazaspiro[5.6]dodecan-10-one 3-(2-methyl-1,8-naphthyridine-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)	0.93	5.53	-21.54	1	6	0	75	352.438	1	↓ MOL2 SDF SMILES Flexibase

67491141

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(5-methylpyridine-3-carbonyl)-3,9-diazaspiro[5.6]dodecan-10-one 3-(5-methylpyridine-3-carbonyl)-…

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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)	0.35	4.34	-15.03	1	5	0	62	301.39	1	↓ MOL2 SDF SMILES Flexibase

67514166

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-(dimethylaminomethyl)thiazole-4-carbonyl]-3,9-diazaspiro[5.6]dodecan-10-one 3-[2-(dimethylaminomethyl)thiazo…

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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)	0.33	5.18	-58.98	2	6	1	67	351.496	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.33	2.71	-14	1	6	0	66	350.488	3	↓ MOL2 SDF SMILES Flexibase

67514627

Analogs

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Popular Name: 3-(2-methyl-6-propyl-pyrimidin-4-yl)-3,9-diazaspiro[5.6]dodecan-10-one 3-(2-methyl-6-propyl-pyrimidin-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)	2.09	7.71	-34.96	2	5	1	59	317.457	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.09	7.38	-11.58	1	5	0	58	316.449	3	↓ MOL2 SDF SMILES Flexibase

67514876

Analogs

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Popular Name: 3-[4-(4-hydroxy-1-piperidyl)pyrimidin-2-yl]-9-methyl-3,9-diazaspiro[5.6]dodecan-10-one 3-[4-(4-hydroxy-1-piperidyl)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)	0.72	8.66	-14.26	1	7	0	73	373.501	2	↓ MOL2 SDF SMILES Flexibase

67515411

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2-cyclohexylpyrimidin-5-yl)methyl]-3,9-diazaspiro[5.6]dodecan-10-one 3-[(2-cyclohexylpyrimidin-5-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)	1.88	8.41	-55.2	2	5	1	59	357.522	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.88	6.15	-10.32	1	5	0	58	356.514	3	↓ MOL2 SDF SMILES Flexibase

67540217

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3,9-diazaspiro[5.6]dodecan-10-one 3-(7H-pyrrolo[2,3-d]pyrimidin-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)	1.03	5.97	-14.86	2	6	0	74	299.378	1	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.03	6.44	-40.85	3	6	1	75	300.386	1	↓ MOL2 SDF SMILES Flexibase

67540891

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-chloro-4-fluoro-phenyl)sulfonyl-9-methyl-3,9-diazaspiro[5.6]dodecan-10-one 3-(2-chloro-4-fluoro-phenyl)sulf…

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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	5.93	-14.3	0	5	0	58	388.892	2	↓ MOL2 SDF SMILES Flexibase

67541103

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(5-hydroxy-1,2-dimethyl-indole-3-carbonyl)-3,9-diazaspiro[5.6]dodecan-10-one 3-(5-hydroxy-1,2-dimethyl-indole…

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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)	1.09	5.03	-19.33	2	6	0	75	369.465	1	↓ MOL2 SDF SMILES Flexibase

67559843

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-3,9-diazaspiro[5.6]dodecan-10-one 3-(6-methyl-2-oxo-1H-pyridine-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)	-0.41	3.13	-25.03	2	6	0	82	317.389	1	↓ MOL2 SDF SMILES Flexibase

67562997

Analogs

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Popular Name: 3-[[5-(1H-pyrazol-5-yl)-2-furyl]methyl]-3,9-diazaspiro[5.6]dodecan-10-one 3-[[5-(1H-pyrazol-5-yl)-2-furyl]…

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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)	1.43	5.83	-55.03	3	6	1	75	329.424	3	↓ MOL2 SDF SMILES Flexibase

67725123

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-(3,5-dimethoxyphenyl)acetyl]-3,9-diazaspiro[5.6]dodecan-10-one 3-[2-(3,5-dimethoxyphenyl)acetyl…

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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	5.1	-19.55	1	6	0	68	360.454	4	↓ MOL2 SDF SMILES Flexibase

67725366

Analogs

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Popular Name: 9-methyl-3-[2-[methyl(2-pyridylmethyl)amino]acetyl]-3,9-diazaspiro[5.6]dodecan-10-one 9-methyl-3-[2-[methyl(2-pyridylm…

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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)	0.42	8.5	-49.7	1	6	1	58	359.494	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.42	6.21	-17.26	0	6	0	57	358.486	4	↓ MOL2 SDF SMILES Flexibase

67725370

Analogs

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Popular Name: 2-[(10-oxo-3,9-diazaspiro[5.6]dodecan-3-yl)sulfonyl]benzonitrile 2-[(10-oxo-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)	1.21	3.54	-18.03	1	6	0	90	347.44	2	↓ MOL2 SDF SMILES Flexibase

67726235

Analogs

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Popular Name: 3-(5-hydroxypyrazine-2-carbonyl)-3,9-diazaspiro[5.6]dodecan-10-one 3-(5-hydroxypyrazine-2-carbonyl)…

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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)	-0.39	1.42	-15.99	2	7	0	95	304.35	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.06	-0.68	-43.67	1	7	-1	98	303.342	1	↓ MOL2 SDF SMILES Flexibase

67726430

Analogs

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Popular Name: 3-[(E)-4-phenylbut-3-enoyl]-3,9-diazaspiro[5.6]dodecan-10-one 3-[(E)-4-phenylbut-3-enoyl]-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)	2.54	7.81	-17.02	1	4	0	49	326.44	3	↓ MOL2 SDF SMILES Flexibase

67726702

Analogs

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Popular Name: 3-(2,4-difluoro-3-methoxy-benzoyl)-9-methyl-3,9-diazaspiro[5.6]dodecan-10-one 3-(2,4-difluoro-3-methoxy-benzoy…

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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)	1.64	7.22	-20.12	0	5	0	50	366.408	2	↓ MOL2 SDF SMILES Flexibase

67739653

Analogs

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Popular Name: 3-[(2,3-difluoro-6-methoxy-phenyl)methyl]-3,9-diazaspiro[5.6]dodecan-10-one 3-[(2,3-difluoro-6-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)	2.23	6.74	-45.01	2	4	1	43	339.406	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.23	4.49	-11.37	1	4	0	42	338.398	3	↓ MOL2 SDF SMILES Flexibase

67740013

Analogs

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Popular Name: 3-[5-(2-thienyl)-1H-pyrazole-4-carbonyl]-3,9-diazaspiro[5.6]dodecan-10-one 3-[5-(2-thienyl)-1H-pyrazole-4-c…

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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	4.6	-15.42	2	6	0	78	358.467	2	↓ MOL2 SDF SMILES Flexibase

67740873

Analogs

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Popular Name: 3-(3-methylsulfonylbenzoyl)-3,9-diazaspiro[5.6]dodecan-10-one 3-(3-methylsulfonylbenzoyl)-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)	0.00	3	-19.51	1	6	0	84	364.467	2	↓ MOL2 SDF SMILES Flexibase

67741102

Analogs

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Popular Name: 2-[3-[(10-oxo-3,9-diazaspiro[5.6]dodecan-3-yl)methyl]phenoxy]acetamide 2-[3-[(10-oxo-3,9-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)	0.76	4.78	-56.18	4	6	1	86	346.451	5	↓ MOL2 SDF SMILES Flexibase

67741540

Analogs

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Popular Name: 3-(6-methyl-4-oxo-pyrido[1,2-a]pyrimidine-3-carbonyl)-3,9-diazaspiro[5.6]dodecan-10-one 3-(6-methyl-4-oxo-pyrido[1,2-a]p…

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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)	-0.13	6.11	-25.8	1	7	0	84	368.437	1	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	-0.13	6.56	-59.79	2	7	1	85	369.445	1	↓ MOL2 SDF SMILES Flexibase

67741654

Analogs

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Popular Name: 3-(2,4-dimethyl-6-oxo-pyran-3-carbonyl)-9-methyl-3,9-diazaspiro[5.6]dodecan-10-one 3-(2,4-dimethyl-6-oxo-pyran-3-ca…

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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)	0.70	8.09	-18.18	0	6	0	71	346.427	1	↓ MOL2 SDF SMILES Flexibase

67742274

Analogs

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Popular Name: 3-(2,5,7-trimethylquinoline-4-carbonyl)-3,9-diazaspiro[5.6]dodecan-10-one 3-(2,5,7-trimethylquinoline-4-ca…

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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)	2.63	7.92	-16.51	1	5	0	62	379.504	1	↓ MOL2 SDF SMILES Flexibase

67742401

Analogs

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Popular Name: 3-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-3,9-diazaspiro[5.6]dodecan-10-one 3-[(5,7-dimethylpyrazolo[1,5-a]p…

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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)	1.22	7.5	-45.93	2	6	1	64	342.467	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.22	5.26	-15.04	1	6	0	63	341.459	2	↓ MOL2 SDF SMILES Flexibase

67743031

Analogs

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Popular Name: 3-(5-propylthiophene-3-carbonyl)-3,9-diazaspiro[5.6]dodecan-10-one 3-(5-propylthiophene-3-carbonyl)…

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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	6.81	-16.59	1	4	0	49	334.485	3	↓ MOL2 SDF SMILES Flexibase

67743590

Analogs

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Popular Name: 3-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinazolin-2-yl)-3,9-diazaspiro[5.6]dodecan-10-one 3-(4-methyl-7,8-dihydro-6H-cyclo…

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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	10.75	-14.28	1	5	0	58	364.493	1	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.37	11.06	-32.2	2	5	1	59	365.501	1	↓ MOL2 SDF SMILES Flexibase

67755225

Analogs

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Popular Name: 3-(4-isopropylthiazole-2-carbonyl)-3,9-diazaspiro[5.6]dodecan-10-one 3-(4-isopropylthiazole-2-carbony…

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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)	1.57	4.34	-17.46	1	5	0	62	335.473	2	↓ MOL2 SDF SMILES Flexibase

67755320

Analogs

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Popular Name: 3-(1-benzylpyrazole-4-carbonyl)-3,9-diazaspiro[5.6]dodecan-10-one 3-(1-benzylpyrazole-4-carbonyl)-…

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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)	1.13	7.07	-15.83	1	6	0	67	366.465	3	↓ MOL2 SDF SMILES Flexibase

67934053

Analogs

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Popular Name: 3-[[1-(o-tolyl)pyrazol-4-yl]methyl]-3,9-diazaspiro[5.6]dodecan-10-one 3-[[1-(o-tolyl)pyrazol-4-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)	2.26	9.51	-52.85	2	5	1	51	353.49	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.26	7.26	-11.54	1	5	0	50	352.482	3	↓ MOL2 SDF SMILES Flexibase

67934123

Analogs

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Popular Name: 3-(1,3-benzothiazol-2-yl)-3,9-diazaspiro[5.6]dodecan-10-one 3-(1,3-benzothiazol-2-yl)-3,9-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)	2.85	6.97	-13.4	1	4	0	45	315.442	1	↓ MOL2 SDF SMILES Flexibase

67946153

Analogs

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Popular Name: 3-[2-(dimethylamino)-5,6-dimethyl-pyrimidin-4-yl]-9-methyl-3,9-diazaspiro[5.6]dodecan-10-one 3-[2-(dimethylamino)-5,6-dimethy…

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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)	2.51	11.22	-12.43	0	6	0	53	345.491	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.51	11.53	-33.72	1	6	1	54	346.499	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.51	11.54	-33.32	1	6	1	54	346.499	2	↓ MOL2 SDF SMILES Flexibase

67946180

Analogs

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Popular Name: 3-[(5-isopropyl-2-methoxy-phenyl)methyl]-3,9-diazaspiro[5.6]dodecan-10-one 3-[(5-isopropyl-2-methoxy-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)	3.49	8.8	-43.81	2	4	1	43	345.507	4	↓ MOL2 SDF SMILES Flexibase

67947429

Analogs

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Popular Name: 9-methyl-3-[2-(1,2,4-triazol-4-yl)pyridine-4-carbonyl]-3,9-diazaspiro[5.6]dodecan-10-one 9-methyl-3-[2-(1,2,4-triazol-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)	-0.33	9.95	-23.93	0	8	0	84	368.441	2	↓ MOL2 SDF SMILES Flexibase

67947572

Analogs

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Popular Name: 3-[2-(3-chloro-4-hydroxy-phenyl)acetyl]-3,9-diazaspiro[5.6]dodecan-10-one 3-[2-(3-chloro-4-hydroxy-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)	2.11	4.19	-19.09	2	5	0	70	350.846	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.11	4.96	-57.65	1	5	-1	72	349.838	2	↓ MOL2 SDF SMILES Flexibase

67947598

Analogs

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Popular Name: 3-(2-amino-1,3-benzothiazole-5-carbonyl)-3,9-diazaspiro[5.6]dodecan-10-one 3-(2-amino-1,3-benzothiazole-5-c…

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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	4.17	-19.03	3	6	0	88	358.467	1	↓ MOL2 SDF SMILES Flexibase

67965810

Analogs

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Popular Name: 3-[2-(2-ethylimidazol-1-yl)acetyl]-3,9-diazaspiro[5.6]dodecan-10-one 3-[2-(2-ethylimidazol-1-yl)acety…

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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)	0.26	6.35	-43.78	2	6	1	68	319.429	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.26	5.93	-22.71	1	6	0	67	318.421	3	↓ MOL2 SDF SMILES Flexibase

67966238

Analogs

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Popular Name: 3-[(5-methyl-2,1,3-benzothiadiazol-4-yl)sulfonyl]-3,9-diazaspiro[5.6]dodecan-10-one 3-[(5-methyl-2,1,3-benzothiadiaz…

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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)	1.95	2.52	-19.59	1	7	0	92	394.522	2	↓ MOL2 SDF SMILES Flexibase

67967579

Analogs

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Popular Name: 6-[2-oxo-2-(10-oxo-3,9-diazaspiro[5.6]dodecan-3-yl)ethyl]-4H-1,4-benzoxazin-3-one 6-[2-oxo-2-(10-oxo-3,9-diazaspir…

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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)	0.74	3.71	-21.47	2	7	0	88	371.437	2	↓ MOL2 SDF SMILES Flexibase

67974346

Analogs

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Popular Name: 3-[2-(5-amino-1,3,4-thiadiazol-2-yl)acetyl]-3,10-diazaspiro[5.6]dodecan-9-one 3-[2-(5-amino-1,3,4-thiadiazol-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)	-0.35	1.99	-22.06	3	7	0	101	323.422	2	↓ MOL2 SDF SMILES Flexibase

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