ZINC 12

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ZINC Item

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35369794

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[4-(2-chlorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-3,5,5-trimethyl-hexan-1-one (3R)-1-[4-(2-chlorobenzoyl)-1-th…

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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)	4.71	12.1	-13.63	0	4	0	41	437.049	5	↓ MOL2 SDF SMILES Flexibase

35369795

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[4-(2-chlorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-3,5,5-trimethyl-hexan-1-one (3S)-1-[4-(2-chlorobenzoyl)-1-th…

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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)	4.71	11.9	-13.55	0	4	0	41	437.049	5	↓ MOL2 SDF SMILES Flexibase

35369796

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-chlorophenyl)-[8-[3-(trifluoromethyl)benzoyl]-1-thia-4,8-diazaspiro[4.5]decan-4-yl]methanone (2-chlorophenyl)-[8-[3-(trifluor…

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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)	3.83	11.32	-14.77	0	4	0	41	468.928	3	↓ MOL2 SDF SMILES Flexibase

35369797

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-butylphenyl)-[4-(2-chlorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]methanone (4-butylphenyl)-[4-(2-chlorobenz…

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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)	4.83	13.36	-15.55	0	4	0	41	457.039	5	↓ MOL2 SDF SMILES Flexibase

35369798

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(2-chlorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-(3-methoxyphenyl)methanone [4-(2-chlorobenzoyl)-1-thia-4,8-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.99	9.58	-16.01	0	5	0	50	430.957	3	↓ MOL2 SDF SMILES Flexibase

35369799

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(2-chlorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-(2-methoxyphenyl)methanone [4-(2-chlorobenzoyl)-1-thia-4,8-…

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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	9.75	-19.91	0	5	0	50	430.957	3	↓ MOL2 SDF SMILES Flexibase

35369800

Analogs

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Popular Name: 1-[4-(2,4-dichlorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-3,3-dimethyl-butan-1-one 1-[4-(2,4-dichlorobenzoyl)-1-thi…

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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	10.73	-10.52	0	4	0	41	429.413	3	↓ MOL2 SDF SMILES Flexibase

35369801

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[4-(2,4-dichlorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-3,5,5-trimethyl-hexan-1-one (3R)-1-[4-(2,4-dichlorobenzoyl)-…

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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)	5.36	12.61	-12.98	0	4	0	41	471.494	5	↓ MOL2 SDF SMILES Flexibase

35369802

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[4-(2,4-dichlorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-3,5,5-trimethyl-hexan-1-one (3S)-1-[4-(2,4-dichlorobenzoyl)-…

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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)	5.36	12.35	-12.97	0	4	0	41	471.494	5	↓ MOL2 SDF SMILES Flexibase

35369803

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[4-(2,4-dichlorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-2-phenyl-butan-1-one (2S)-1-[4-(2,4-dichlorobenzoyl)-…

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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)	5.32	12.77	-14.99	0	4	0	41	477.457	4	↓ MOL2 SDF SMILES Flexibase

35369804

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[4-(2,4-dichlorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-2-phenyl-butan-1-one (2R)-1-[4-(2,4-dichlorobenzoyl)-…

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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)	5.32	12.83	-14.72	0	4	0	41	477.457	4	↓ MOL2 SDF SMILES Flexibase

35369805

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(2,4-dichlorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-2-methoxy-ethanone 1-[4-(2,4-dichlorobenzoyl)-1-thi…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.36	8.22	-15.19	0	5	0	50	403.331	3	↓ MOL2 SDF SMILES Flexibase

35369806

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(3-nitrobenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]ethanone 1-[4-(3-nitrobenzoyl)-1-thia-4,8…

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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)	1.07	7.78	-18.92	0	7	0	86	349.412	2	↓ MOL2 SDF SMILES Flexibase

35369807

Analogs

35768209
35768210

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(3-nitrobenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-2,2-diphenyl-ethanone 1-[4-(3-nitrobenzoyl)-1-thia-4,8…

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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)	4.21	14.55	-21.13	0	7	0	86	501.608	5	↓ MOL2 SDF SMILES Flexibase

35369808

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)	1.50	10.26	-18.52	0	9	0	113	435.502	7	↓ MOL2 SDF SMILES Flexibase

35369809

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-dimethyl-4-(3-nitrobenzoyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide N,N-dimethyl-4-(3-nitrobenzoyl)-…

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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	8.14	-21.27	0	8	0	90	378.454	2	↓ MOL2 SDF SMILES Flexibase

35369810

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(cyclohexanecarbonyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-(2-thienyl)methanone [4-(cyclohexanecarbonyl)-1-thia-…

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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	9.11	-12.89	0	4	0	41	378.563	2	↓ MOL2 SDF SMILES Flexibase

35369811

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-chlorophenoxy)-1-[4-(cyclohexanecarbonyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]ethanone 2-(4-chlorophenoxy)-1-[4-(cycloh…

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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)	4.50	11.75	-14.58	0	5	0	50	437.005	4	↓ MOL2 SDF SMILES Flexibase

35369812

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(cyclohexanecarbonyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-2-(4-methoxyphenyl)ethanone 1-[4-(cyclohexanecarbonyl)-1-thi…

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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)	4.00	10.42	-14.35	0	5	0	50	416.587	4	↓ MOL2 SDF SMILES Flexibase

35369813

Analogs

35769531

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(cyclohexanecarbonyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-(3,5-dimethoxyphenyl)methanone [4-(cyclohexanecarbonyl)-1-thia-…

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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)	3.42	8.82	-14.77	0	6	0	59	432.586	4	↓ MOL2 SDF SMILES Flexibase

35369814

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(cyclohexanecarbonyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-(1-naphthyl)methanone [4-(cyclohexanecarbonyl)-1-thia-…

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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)	4.54	12.37	-15.4	0	4	0	41	422.594	2	↓ MOL2 SDF SMILES Flexibase

35369815

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-bromophenyl)-[4-(cyclohexanecarbonyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]methanone (4-bromophenyl)-[4-(cyclohexanec…

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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)	4.19	10.83	-10.94	0	4	0	41	451.43	2	↓ MOL2 SDF SMILES Flexibase

35369816

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(cyclohexanecarbonyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]heptan-1-one 1-[4-(cyclohexanecarbonyl)-1-thi…

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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)	5.09	11.25	-11.76	0	4	0	41	380.598	6	↓ MOL2 SDF SMILES Flexibase

35369817

Analogs

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Popular Name: 1-[4-(cyclohexanecarbonyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-2-phenylsulfanyl-ethanone 1-[4-(cyclohexanecarbonyl)-1-thi…

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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)	4.20	11.84	-13.59	0	4	0	41	418.628	4	↓ MOL2 SDF SMILES Flexibase

35369818

Analogs

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Popular Name: (2-bromophenyl)-[4-(cyclohexanecarbonyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]methanone (2-bromophenyl)-[4-(cyclohexanec…

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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)	4.14	10.75	-13.97	0	4	0	41	451.43	2	↓ MOL2 SDF SMILES Flexibase

35369819

Analogs

35769533

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(cyclohexanecarbonyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-(4-hexylphenyl)methanone [4-(cyclohexanecarbonyl)-1-thia-…

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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)	6.25	14.8	-12.72	0	4	0	41	456.696	7	↓ MOL2 SDF SMILES Flexibase

35369820

Analogs

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Popular Name: (4-butoxyphenyl)-[4-(cyclohexanecarbonyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]methanone (4-butoxyphenyl)-[4-(cyclohexane…

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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)	4.87	12.01	-12.24	0	5	0	50	444.641	6	↓ MOL2 SDF SMILES Flexibase

35369821

Analogs

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Popular Name: [4-(cyclohexanecarbonyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-(2,6-dimethoxyphenyl)methanone [4-(cyclohexanecarbonyl)-1-thia-…

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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	9.18	-19.59	0	6	0	59	432.586	4	↓ MOL2 SDF SMILES Flexibase

35369822

Analogs

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Popular Name: [4-(2-fluorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-(o-tolyl)methanone [4-(2-fluorobenzoyl)-1-thia-4,8-…

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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	10.49	-16.26	0	4	0	41	398.503	2	↓ MOL2 SDF SMILES Flexibase

35369823

Analogs

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Popular Name: (2S)-1-[4-(2-fluorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-2-phenyl-butan-1-one (2S)-1-[4-(2-fluorobenzoyl)-1-th…

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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)	4.15	11.81	-17.7	0	4	0	41	426.557	4	↓ MOL2 SDF SMILES Flexibase

35369824

Analogs

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Popular Name: (2R)-1-[4-(2-fluorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-2-phenyl-butan-1-one (2R)-1-[4-(2-fluorobenzoyl)-1-th…

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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)	4.15	11.89	-16.71	0	4	0	41	426.557	4	↓ MOL2 SDF SMILES Flexibase

35369825

Analogs

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Popular Name: [8-(3-fluorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-(2-fluorophenyl)methanone [8-(3-fluorobenzoyl)-1-thia-4,8-…

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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)	2.59	9.94	-16.3	0	4	0	41	402.466	2	↓ MOL2 SDF SMILES Flexibase

35369826

Analogs

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Popular Name: [8-(cyclopentanecarbonyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-(2-fluorophenyl)methanone [8-(cyclopentanecarbonyl)-1-thia…

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Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.99	9.59	-14.96	0	4	0	41	376.497	2	↓ MOL2 SDF SMILES Flexibase

35369827

Analogs

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Popular Name: (2,4-dimethoxyphenyl)-[4-(2-fluorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]methanone (2,4-dimethoxyphenyl)-[4-(2-fluo…

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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)	3.04	8.65	-21.33	0	6	0	59	444.528	4	↓ MOL2 SDF SMILES Flexibase

35369828

Analogs

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Popular Name: [8-(1,3-benzodioxole-5-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-(2-fluorophenyl)methanone [8-(1,3-benzodioxole-5-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)	2.34	8.59	-17.54	0	6	0	59	428.485	2	↓ MOL2 SDF SMILES Flexibase

35369829

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)	1.68	9.61	-14.06	0	6	0	67	408.495	6	↓ MOL2 SDF SMILES Flexibase

35369830

Analogs

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Popular Name: (E)-1-[4-(2-fluorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-3-phenyl-prop-2-en-1-one (E)-1-[4-(2-fluorobenzoyl)-1-thi…

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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)	3.56	11.37	-18.04	0	4	0	41	410.514	3	↓ MOL2 SDF SMILES Flexibase

35369832

Analogs

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Popular Name: [4-(2-fluorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-(4-hexylphenyl)methanone [4-(2-fluorobenzoyl)-1-thia-4,8-…

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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)	5.32	14.49	-17.13	0	4	0	41	468.638	7	↓ MOL2 SDF SMILES Flexibase

35369833

Analogs

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Popular Name: N-(3-bromophenyl)-4-(4-fluorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide N-(3-bromophenyl)-4-(4-fluoroben…

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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)	4.07	10.36	-15.13	1	5	0	53	478.387	2	↓ MOL2 SDF SMILES Flexibase

35369834

Analogs

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Popular Name: N-(2,4-dimethoxyphenyl)-4-(4-fluorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide N-(2,4-dimethoxyphenyl)-4-(4-flu…

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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)	3.32	8.33	-14.26	1	7	0	71	459.543	4	↓ MOL2 SDF SMILES Flexibase

35369835

Analogs

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Popular Name: 4-(4-fluorobenzoyl)-N-(2-methoxyphenyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide 4-(4-fluorobenzoyl)-N-(2-methoxy…

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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	8.95	-14.02	1	6	0	62	429.517	3	↓ MOL2 SDF SMILES Flexibase

35369836

Analogs

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Popular Name: N-(3-ethylphenyl)-4-(4-fluorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide N-(3-ethylphenyl)-4-(4-fluoroben…

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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	11.18	-13.84	1	5	0	53	427.545	3	↓ MOL2 SDF SMILES Flexibase

35369837

Analogs

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Popular Name: N-(4-chlorophenyl)-4-(4-methoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide N-(4-chlorophenyl)-4-(4-methoxyb…

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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)	3.85	9.5	-13.42	1	6	0	62	445.972	3	↓ MOL2 SDF SMILES Flexibase

35369838

Analogs

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Popular Name: N-(3-bromophenyl)-4-(4-methoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide N-(3-bromophenyl)-4-(4-methoxybe…

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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)	3.96	9.6	-12.41	1	6	0	62	490.423	3	↓ MOL2 SDF SMILES Flexibase

35369839

Analogs

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Popular Name: N-(2,3-dichlorophenyl)-4-(4-methoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide N-(2,3-dichlorophenyl)-4-(4-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)	4.43	10.08	-11.59	1	6	0	62	480.417	3	↓ MOL2 SDF SMILES Flexibase

35369840

Analogs

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Popular Name: N-(4-cyanophenyl)-4-(4-methoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide N-(4-cyanophenyl)-4-(4-methoxybe…

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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)	2.93	9.38	-15.45	1	7	0	86	436.537	3	↓ MOL2 SDF SMILES Flexibase

35369841

Analogs

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Popular Name: N-ethyl-4-(4-nitrobenzoyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide N-ethyl-4-(4-nitrobenzoyl)-1-thi…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.31	7.48	-17.15	1	8	0	98	378.454	3	↓ MOL2 SDF SMILES Flexibase

35369842

Analogs

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Popular Name: N-(4-ethylphenyl)-4-(4-nitrobenzoyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide N-(4-ethylphenyl)-4-(4-nitrobenz…

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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)	3.99	11.83	-17.54	1	8	0	98	454.552	4	↓ MOL2 SDF SMILES Flexibase

35369843

Analogs

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Popular Name: N-cyclohexyl-4-(furan-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide N-cyclohexyl-4-(furan-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)	3.61	8.02	-12.47	1	6	0	66	377.51	2	↓ MOL2 SDF SMILES Flexibase

35369844

Analogs

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Popular Name: 4-(furan-2-carbonyl)-N-phenyl-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide 4-(furan-2-carbonyl)-N-phenyl-1-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.85	8.21	-12.67	1	6	0	66	371.462	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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SQL Query Was

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