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22669374

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-2-[(4-bromophenyl)methyl]-7-thia-2,4-diazaspiro[4.4]nonane-1,3-dione (5S)-2-[(4-bromophenyl)methyl]-7…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.10	6.09	-7.02	1	4	0	49	341.23	2	↓ MOL2 SDF SMILES Flexibase

22669377

Analogs

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Popular Name: (5R)-2-[(4-bromophenyl)methyl]-7-thia-2,4-diazaspiro[4.4]nonane-1,3-dione (5R)-2-[(4-bromophenyl)methyl]-7…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.10	6.12	-7.12	1	4	0	49	341.23	2	↓ MOL2 SDF SMILES Flexibase

22669381

Analogs

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Popular Name: (5S)-2-[(2,4-dichlorophenyl)methyl]-7-thia-2,4-diazaspiro[4.4]nonane-1,3-dione (5S)-2-[(2,4-dichlorophenyl)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)	2.57	6.83	-7.6	1	4	0	49	331.224	2	↓ MOL2 SDF SMILES Flexibase

22669385

Analogs

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Popular Name: (5R)-2-[(2,4-dichlorophenyl)methyl]-7-thia-2,4-diazaspiro[4.4]nonane-1,3-dione (5R)-2-[(2,4-dichlorophenyl)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)	2.57	6.85	-8.17	1	4	0	49	331.224	2	↓ MOL2 SDF SMILES Flexibase

22669388

Analogs

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Popular Name: (5S)-2-[(4-tert-butyl-2,6-dimethyl-phenyl)methyl]-7-thia-2,4-diazaspiro[4.4]nonane-1,3-dione (5S)-2-[(4-tert-butyl-2,6-dimeth…

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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	8.76	-6.12	1	4	0	49	346.496	3	↓ MOL2 SDF SMILES Flexibase

22669392

Analogs

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Popular Name: (5R)-2-[(4-tert-butyl-2,6-dimethyl-phenyl)methyl]-7-thia-2,4-diazaspiro[4.4]nonane-1,3-dione (5R)-2-[(4-tert-butyl-2,6-dimeth…

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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	8.79	-6.23	1	4	0	49	346.496	3	↓ MOL2 SDF SMILES Flexibase

22669443

Analogs

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Popular Name: 2-[(5S)-1,3-dioxo-7-thia-2,4-diazaspiro[4.4]nonan-2-yl]-N-(2-ethoxyphenyl)acetamide 2-[(5S)-1,3-dioxo-7-thia-2,4-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)	1.45	4.43	-16.53	2	7	0	88	349.412	5	↓ MOL2 SDF SMILES Flexibase

22669447

Analogs

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Popular Name: 2-[(5R)-1,3-dioxo-7-thia-2,4-diazaspiro[4.4]nonan-2-yl]-N-(2-ethoxyphenyl)acetamide 2-[(5R)-1,3-dioxo-7-thia-2,4-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)	1.45	4.48	-18.82	2	7	0	88	349.412	5	↓ MOL2 SDF SMILES Flexibase

22669451

Analogs

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Popular Name: 2-[(5S)-1,3-dioxo-7-thia-2,4-diazaspiro[4.4]nonan-2-yl]-N-(2,4,6-trichlorophenyl)acetamide 2-[(5S)-1,3-dioxo-7-thia-2,4-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)	2.95	5.97	-15.14	2	6	0	79	408.694	3	↓ MOL2 SDF SMILES Flexibase

22669455

Analogs

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Popular Name: 2-[(5R)-1,3-dioxo-7-thia-2,4-diazaspiro[4.4]nonan-2-yl]-N-(2,4,6-trichlorophenyl)acetamide 2-[(5R)-1,3-dioxo-7-thia-2,4-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)	2.95	5.99	-17.45	2	6	0	79	408.694	3	↓ MOL2 SDF SMILES Flexibase

22669475

Analogs

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Popular Name: 2-[(5S)-1,3-dioxo-7-thia-2,4-diazaspiro[4.4]nonan-2-yl]-N-(4-ethylphenyl)acetamide 2-[(5S)-1,3-dioxo-7-thia-2,4-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)	1.98	5.52	-17.49	2	6	0	79	333.413	4	↓ MOL2 SDF SMILES Flexibase

22669479

Analogs

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Popular Name: 2-[(5R)-1,3-dioxo-7-thia-2,4-diazaspiro[4.4]nonan-2-yl]-N-(4-ethylphenyl)acetamide 2-[(5R)-1,3-dioxo-7-thia-2,4-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)	1.98	5.52	-20.05	2	6	0	79	333.413	4	↓ MOL2 SDF SMILES Flexibase

22669553

Analogs

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Popular Name: ethyl 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)	0.93	6.3	-18.56	2	8	0	109	379.438	6	↓ MOL2 SDF SMILES Flexibase

22669557

Analogs

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Popular Name: ethyl 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)	0.93	6.33	-17.99	2	8	0	109	379.438	6	↓ MOL2 SDF SMILES Flexibase

22669577

Analogs

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Popular Name: 4-[[2-[(5S)-1,3-dioxo-7-thia-2,4-diazaspiro[4.4]nonan-2-yl]acetyl]amino]-N-(4-ethoxyphenyl)benzamide 4-[[2-[(5S)-1,3-dioxo-7-thia-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)	2.38	6.28	-24.51	3	9	0	117	468.535	7	↓ MOL2 SDF SMILES Flexibase

22669581

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[2-[(5R)-1,3-dioxo-7-thia-2,4-diazaspiro[4.4]nonan-2-yl]acetyl]amino]-N-(4-ethoxyphenyl)benzamide 4-[[2-[(5R)-1,3-dioxo-7-thia-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)	2.38	6.31	-26.14	3	9	0	117	468.535	7	↓ MOL2 SDF SMILES Flexibase

22669640

Analogs

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Popular Name: (5S)-2-[2-(4-tert-butylphenyl)-2-oxo-ethyl]-7-thia-2,4-diazaspiro[4.4]nonane-1,3-dione (5S)-2-[2-(4-tert-butylphenyl)-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)	2.74	7.97	-15.46	1	5	0	66	346.452	4	↓ MOL2 SDF SMILES Flexibase

22669644

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-2-[2-(4-tert-butylphenyl)-2-oxo-ethyl]-7-thia-2,4-diazaspiro[4.4]nonane-1,3-dione (5R)-2-[2-(4-tert-butylphenyl)-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)	2.74	7.97	-14.15	1	5	0	66	346.452	4	↓ MOL2 SDF SMILES Flexibase

22669738

Analogs

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Popular Name: (5S)-2-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]-7-thia-2,4-diazaspiro[4.4]nonane-1,3 (5S)-2-[(2-oxo-7,8-dihydro-6H-cy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.69	8.69	-13.16	1	6	0	80	370.43	2	↓ MOL2 SDF SMILES Flexibase

22669742

Analogs

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Popular Name: (5R)-2-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]-7-thia-2,4-diazaspiro[4.4]nonane-1,3 (5R)-2-[(2-oxo-7,8-dihydro-6H-cy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.69	8.72	-12.95	1	6	0	80	370.43	2	↓ MOL2 SDF SMILES Flexibase

22669769

Analogs

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Popular Name: (5S)-2-[2-[(5R)-5-(2-furyl)-3-(p-tolyl)-4,5-dihydropyrazol-1-yl]-2-oxo-ethyl]-7-thia-2,4-diazaspiro[ (5S)-2-[2-[(5R)-5-(2-furyl)-3-(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)	2.17	8.57	-18.44	1	8	0	95	438.509	4	↓ MOL2 SDF SMILES Flexibase

22669773

Analogs

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Popular Name: (5R)-2-[2-[(5R)-5-(2-furyl)-3-(p-tolyl)-4,5-dihydropyrazol-1-yl]-2-oxo-ethyl]-7-thia-2,4-diazaspiro[ (5R)-2-[2-[(5R)-5-(2-furyl)-3-(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)	2.17	8.59	-20.19	1	8	0	95	438.509	4	↓ MOL2 SDF SMILES Flexibase

22669777

Analogs

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Popular Name: (5S)-2-[2-[(5S)-5-(2-furyl)-3-(p-tolyl)-4,5-dihydropyrazol-1-yl]-2-oxo-ethyl]-7-thia-2,4-diazaspiro[ (5S)-2-[2-[(5S)-5-(2-furyl)-3-(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)	2.17	8.57	-19.07	1	8	0	95	438.509	4	↓ MOL2 SDF SMILES Flexibase

22669781

Analogs

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Popular Name: (5R)-2-[2-[(5S)-5-(2-furyl)-3-(p-tolyl)-4,5-dihydropyrazol-1-yl]-2-oxo-ethyl]-7-thia-2,4-diazaspiro[ (5R)-2-[2-[(5S)-5-(2-furyl)-3-(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)	2.17	8.6	-18.77	1	8	0	95	438.509	4	↓ MOL2 SDF SMILES Flexibase

22669785

Analogs

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Popular Name: (5S)-2-cinnamyl-7-thia-2,4-diazaspiro[4.4]nonane-1,3-dione (5S)-2-cinnamyl-7-thia-2,4-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)	2.24	6.77	-8.71	1	4	0	49	288.372	3	↓ MOL2 SDF SMILES Flexibase

22669789

Analogs

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Popular Name: (5R)-2-cinnamyl-7-thia-2,4-diazaspiro[4.4]nonane-1,3-dione (5R)-2-cinnamyl-7-thia-2,4-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)	2.24	6.84	-9.11	1	4	0	49	288.372	3	↓ MOL2 SDF SMILES Flexibase

22669799

Analogs

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Popular Name: 2-[(5S)-1,3-dioxo-7-thia-2,4-diazaspiro[4.4]nonan-2-yl]-N-[(3-fluorophenyl)methyl]-N-methyl-acetamid 2-[(5S)-1,3-dioxo-7-thia-2,4-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)	0.78	6.42	-19.05	1	6	0	70	351.403	4	↓ MOL2 SDF SMILES Flexibase

22669803

Analogs

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Popular Name: 2-[(5R)-1,3-dioxo-7-thia-2,4-diazaspiro[4.4]nonan-2-yl]-N-[(3-fluorophenyl)methyl]-N-methyl-acetamid 2-[(5R)-1,3-dioxo-7-thia-2,4-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)	0.78	6.39	-20.57	1	6	0	70	351.403	4	↓ MOL2 SDF SMILES Flexibase

22700594

Analogs

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Popular Name: N-(4-bromophenyl)-2-[(5S)-1,3-dioxo-7-thia-2,4-diazaspiro[4.4]nonan-2-yl]acetamide N-(4-bromophenyl)-2-[(5S)-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)	1.87	4.71	-17.32	2	6	0	79	384.255	3	↓ MOL2 SDF SMILES Flexibase

22700596

Analogs

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Popular Name: N-(4-bromophenyl)-2-[(5R)-1,3-dioxo-7-thia-2,4-diazaspiro[4.4]nonan-2-yl]acetamide N-(4-bromophenyl)-2-[(5R)-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)	1.87	4.71	-19.75	2	6	0	79	384.255	3	↓ MOL2 SDF SMILES Flexibase

22700598

Analogs

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Popular Name: (5S)-2-[(4-chlorophenyl)methyl]-7-thia-2,4-diazaspiro[4.4]nonane-1,3-dione (5S)-2-[(4-chlorophenyl)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)	1.97	6.07	-7.38	1	4	0	49	296.779	2	↓ MOL2 SDF SMILES Flexibase

22700599

Analogs

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Popular Name: (5R)-2-[(4-chlorophenyl)methyl]-7-thia-2,4-diazaspiro[4.4]nonane-1,3-dione (5R)-2-[(4-chlorophenyl)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)	1.97	6.03	-8.57	1	4	0	49	296.779	2	↓ MOL2 SDF SMILES Flexibase

22700646

Analogs

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Popular Name: 2-[(5S)-1,3-dioxo-7-thia-2,4-diazaspiro[4.4]nonan-2-yl]-N-(4-ethoxyphenyl)acetamide 2-[(5S)-1,3-dioxo-7-thia-2,4-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)	1.49	4.3	-19.09	2	7	0	88	349.412	5	↓ MOL2 SDF SMILES Flexibase

22700648

Analogs

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Popular Name: 2-[(5R)-1,3-dioxo-7-thia-2,4-diazaspiro[4.4]nonan-2-yl]-N-(4-ethoxyphenyl)acetamide 2-[(5R)-1,3-dioxo-7-thia-2,4-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)	1.49	4.34	-20.63	2	7	0	88	349.412	5	↓ MOL2 SDF SMILES Flexibase

22700686

Analogs

36631051
36631053

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Popular Name: (5S)-2-(p-tolylmethyl)-7-thia-2,4-diazaspiro[4.4]nonane-1,3-dione (5S)-2-(p-tolylmethyl)-7-thia-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)	1.74	6.22	-7.98	1	4	0	49	276.361	2	↓ MOL2 SDF SMILES Flexibase

22700688

Analogs

36631051
36631053

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Popular Name: (5R)-2-(p-tolylmethyl)-7-thia-2,4-diazaspiro[4.4]nonane-1,3-dione (5R)-2-(p-tolylmethyl)-7-thia-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)	1.74	6.15	-9	1	4	0	49	276.361	2	↓ MOL2 SDF SMILES Flexibase

22700702

Analogs

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Popular Name: (5S)-2-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-oxo-ethyl]-7-thia-2,4-diazaspiro[4.4]nonane-1,3-dion (5S)-2-[2-(2,5-dimethyl-1-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)	1.67	9.76	-14.32	1	6	0	71	383.473	4	↓ MOL2 SDF SMILES Flexibase

22700704

Analogs

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Popular Name: (5R)-2-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-oxo-ethyl]-7-thia-2,4-diazaspiro[4.4]nonane-1,3-dion (5R)-2-[2-(2,5-dimethyl-1-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)	1.67	9.73	-16.31	1	6	0	71	383.473	4	↓ MOL2 SDF SMILES Flexibase

22700722

Analogs

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Popular Name: (5S)-2-[2-(3-methylphenoxy)ethyl]-7-thia-2,4-diazaspiro[4.4]nonane-1,3-dione (5S)-2-[2-(3-methylphenoxy)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)	2.00	5.74	-11.45	1	5	0	59	306.387	4	↓ MOL2 SDF SMILES Flexibase

22700724

Analogs

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Popular Name: (5R)-2-[2-(3-methylphenoxy)ethyl]-7-thia-2,4-diazaspiro[4.4]nonane-1,3-dione (5R)-2-[2-(3-methylphenoxy)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)	2.00	5.77	-13.06	1	5	0	59	306.387	4	↓ MOL2 SDF SMILES Flexibase

22700742

Analogs

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Popular Name: (5S)-2-[(5-oxothiazolo[3,2-a]pyrimidin-7-yl)methyl]-7-thia-2,4-diazaspiro[4.4]nonane-1,3-dione (5S)-2-[(5-oxothiazolo[3,2-a]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)	0.38	4.61	-16.78	1	7	0	84	336.398	2	↓ MOL2 SDF SMILES Flexibase

22700744

Analogs

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Popular Name: (5R)-2-[(5-oxothiazolo[3,2-a]pyrimidin-7-yl)methyl]-7-thia-2,4-diazaspiro[4.4]nonane-1,3-dione (5R)-2-[(5-oxothiazolo[3,2-a]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)	0.38	4.61	-16.52	1	7	0	84	336.398	2	↓ MOL2 SDF SMILES Flexibase

22700746

Analogs

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Popular Name: (5S)-2-[2-(2,5-dimethylphenyl)-2-oxo-ethyl]-7-thia-2,4-diazaspiro[4.4]nonane-1,3-dione (5S)-2-[2-(2,5-dimethylphenyl)-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)	1.86	6.94	-12.51	1	5	0	66	318.398	3	↓ MOL2 SDF SMILES Flexibase

22700748

Analogs

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Popular Name: (5R)-2-[2-(2,5-dimethylphenyl)-2-oxo-ethyl]-7-thia-2,4-diazaspiro[4.4]nonane-1,3-dione (5R)-2-[2-(2,5-dimethylphenyl)-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)	1.86	6.97	-12.1	1	5	0	66	318.398	3	↓ MOL2 SDF SMILES Flexibase

22700774

Analogs

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Popular Name: (5S)-2-[(6,7-dimethyl-2-oxo-chromen-4-yl)methyl]-7-thia-2,4-diazaspiro[4.4]nonane-1,3-dione (5S)-2-[(6,7-dimethyl-2-oxo-chro…

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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	8.01	-13.4	1	6	0	80	358.419	2	↓ MOL2 SDF SMILES Flexibase

22700776

Analogs

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Popular Name: (5R)-2-[(6,7-dimethyl-2-oxo-chromen-4-yl)methyl]-7-thia-2,4-diazaspiro[4.4]nonane-1,3-dione (5R)-2-[(6,7-dimethyl-2-oxo-chro…

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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	8.04	-13.19	1	6	0	80	358.419	2	↓ MOL2 SDF SMILES Flexibase

22719134

Analogs

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Popular Name: (5S)-2-[(4-fluorophenyl)methyl]-7-thia-2,4-diazaspiro[4.4]nonane-1,3-dione (5S)-2-[(4-fluorophenyl)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)	1.45	5.61	-7.82	1	4	0	49	280.324	2	↓ MOL2 SDF SMILES Flexibase

22719137

Analogs

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Popular Name: (5R)-2-[(4-fluorophenyl)methyl]-7-thia-2,4-diazaspiro[4.4]nonane-1,3-dione (5R)-2-[(4-fluorophenyl)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)	1.45	5.58	-9	1	4	0	49	280.324	2	↓ MOL2 SDF SMILES Flexibase

22719237

Analogs

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Popular Name: N-(2,4-dimethoxyphenyl)-2-[(5S)-1,3-dioxo-7-thia-2,4-diazaspiro[4.4]nonan-2-yl]acetamide N-(2,4-dimethoxyphenyl)-2-[(5S)-…

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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)	1.10	2.83	-17.2	2	8	0	97	365.411	5	↓ MOL2 SDF SMILES Flexibase

22719240

Analogs

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Popular Name: N-(2,4-dimethoxyphenyl)-2-[(5R)-1,3-dioxo-7-thia-2,4-diazaspiro[4.4]nonan-2-yl]acetamide N-(2,4-dimethoxyphenyl)-2-[(5R)-…

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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)	1.10	2.78	-17.37	2	8	0	97	365.411	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 99387
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 = 99387 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=99387&filter.purchasability=annotated

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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', {
        "ring.id": "99387"        

    });
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