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ZINC Item

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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

35369822

Analogs

Draw Identity 99% 90% 80% 70%

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

35369825

Analogs

Draw Identity 99% 90% 80% 70%

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

35369827

Analogs

Draw Identity 99% 90% 80% 70%

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

35369832

Analogs

Draw Identity 99% 90% 80% 70%

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

35369919

Analogs

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.18	12.18	-13.73	0	4	0	41	440.584	3	↓ MOL2 SDF SMILES Flexibase

35369920

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(4-tert-butylbenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-(4-butylphenyl)methanone [4-(4-tert-butylbenzoyl)-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)	5.90	15.16	-12.65	0	4	0	41	478.702	6	↓ MOL2 SDF SMILES Flexibase

35369921

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-tert-butylphenyl)-[8-(3-methoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]methanone (4-tert-butylphenyl)-[8-(3-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)	4.07	11.48	-13.82	0	5	0	50	452.62	4	↓ MOL2 SDF SMILES Flexibase

35370028

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [8-(4-methoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-(o-tolyl)methanone [8-(4-methoxybenzoyl)-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)	2.79	9.76	-13.01	0	5	0	50	410.539	3	↓ MOL2 SDF SMILES Flexibase

35370030

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [8-(4-chlorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-(o-tolyl)methanone [8-(4-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)	3.41	11.01	-10.83	0	4	0	41	414.958	2	↓ MOL2 SDF SMILES Flexibase

35370031

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(2-methylbenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-(p-tolyl)methanone [4-(2-methylbenzoyl)-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)	3.18	11.15	-12.67	0	4	0	41	394.54	2	↓ MOL2 SDF SMILES Flexibase

35370034

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(2-methylbenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-(o-tolyl)methanone [4-(2-methylbenzoyl)-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)	3.13	11.14	-12.24	0	4	0	41	394.54	2	↓ MOL2 SDF SMILES Flexibase

35370038

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [8-(3-fluorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-(o-tolyl)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)	2.87	10.56	-13.35	0	4	0	41	398.503	2	↓ MOL2 SDF SMILES Flexibase

35370042

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [8-(2,4-dimethoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-(o-tolyl)methanone [8-(2,4-dimethoxybenzoyl)-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)	3.32	9.45	-16.37	0	6	0	59	440.565	4	↓ MOL2 SDF SMILES Flexibase

35370043

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [8-(3-methoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-(o-tolyl)methanone [8-(3-methoxybenzoyl)-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)	2.76	9.74	-12.91	0	5	0	50	410.539	3	↓ MOL2 SDF SMILES Flexibase

35370044

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	3.65	11.92	-12.42	0	4	0	41	408.567	3	↓ MOL2 SDF SMILES Flexibase

35370061

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(3,4-dichlorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-(3-nitrophenyl)methanone [4-(3,4-dichlorobenzoyl)-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)	3.55	11.51	-18.98	0	7	0	86	480.373	3	↓ MOL2 SDF SMILES Flexibase

35370063

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(3,4-dichlorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-(3-fluorophenyl)methanone [4-(3,4-dichlorobenzoyl)-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	10.87	-15.58	0	4	0	41	453.366	2	↓ MOL2 SDF SMILES Flexibase

35370072

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(3-chlorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-(4-methoxyphenyl)methanone [4-(3-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)	3.04	9.65	-15.45	0	5	0	50	430.957	3	↓ MOL2 SDF SMILES Flexibase

35370077

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(3-chlorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-(2-methoxyphenyl)methanone [4-(3-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)	3.54	9.76	-19.08	0	5	0	50	430.957	3	↓ MOL2 SDF SMILES Flexibase

35370078

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	4.27	11.32	-9.44	0	4	0	41	469.821	2	↓ MOL2 SDF SMILES Flexibase

35370079

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(3-chlorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-(2,6-dimethoxyphenyl)methanone [4-(3-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)	3.00	9.19	-20.69	0	6	0	59	460.983	4	↓ MOL2 SDF SMILES Flexibase

35370080

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [8-(2,4-dichlorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-(m-tolyl)methanone [8-(2,4-dichlorobenzoyl)-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)	4.04	11.46	-12.37	0	4	0	41	449.403	2	↓ MOL2 SDF SMILES Flexibase

35370081

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [8-(4-chlorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-(m-tolyl)methanone [8-(4-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)	3.43	10.98	-11.59	0	4	0	41	414.958	2	↓ MOL2 SDF SMILES Flexibase

35370082

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(3-methylbenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-(p-tolyl)methanone [4-(3-methylbenzoyl)-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)	3.20	11.18	-13.57	0	4	0	41	394.54	2	↓ MOL2 SDF SMILES Flexibase

35370086

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [8-(4-tert-butylbenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-(m-tolyl)methanone [8-(4-tert-butylbenzoyl)-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)	4.46	12.78	-13.08	0	4	0	41	436.621	3	↓ MOL2 SDF SMILES Flexibase

35370087

Analogs

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Popular Name: [8-(3,5-dimethoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-(m-tolyl)methanone [8-(3,5-dimethoxybenzoyl)-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)	2.80	9.13	-15.41	0	6	0	59	440.565	4	↓ MOL2 SDF SMILES Flexibase

35370088

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [8-(3-fluorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-(m-tolyl)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)	2.90	10.53	-14.16	0	4	0	41	398.503	2	↓ MOL2 SDF SMILES Flexibase

35370091

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [8-(4-chloro-3-nitro-benzoyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-(m-tolyl)methanone [8-(4-chloro-3-nitro-benzoyl)-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)	3.32	11.54	-15.68	0	7	0	86	459.955	3	↓ MOL2 SDF SMILES Flexibase

35370095

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [8-(2-methoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-(m-tolyl)methanone [8-(2-methoxybenzoyl)-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)	3.31	9.93	-17.48	0	5	0	50	410.539	3	↓ MOL2 SDF SMILES Flexibase

35370096

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Popular Name: (4-hexylphenyl)-[4-(3-methylbenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]methanone (4-hexylphenyl)-[4-(3-methylbenz…

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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)	5.63	15.07	-13.16	0	4	0	41	464.675	7	↓ MOL2 SDF SMILES Flexibase

35370097

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Popular Name: [8-(3,5-dichlorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-(m-tolyl)methanone [8-(3,5-dichlorobenzoyl)-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)	4.04	11.47	-10.36	0	4	0	41	449.403	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 16510
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 = 16510 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

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Embed Link to Results

<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": "16510"        

    });
</script>

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