ZINC 12

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ZINC Item

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52881113

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-N-[(3R)-1,1-dioxothiolan-3-yl]-2-phenyl-propanamide (2R)-2-amino-N-[(3R)-1,1-dioxoth…

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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	0.14	-17.13	3	5	0	89	282.365	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.38	0.39	-67.99	4	5	1	91	283.373	3	↓ MOL2 SDF SMILES Flexibase

52881114

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-N-[(3R)-1,1-dioxothiolan-3-yl]-2-phenyl-propanamide (2S)-2-amino-N-[(3R)-1,1-dioxoth…

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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	0.08	-15.54	3	5	0	89	282.365	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.38	0.39	-67.27	4	5	1	91	283.373	3	↓ MOL2 SDF SMILES Flexibase

52881115

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-N-[(3S)-1,1-dioxothiolan-3-yl]-2-phenyl-propanamide (2R)-2-amino-N-[(3S)-1,1-dioxoth…

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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	0.16	-16.35	3	5	0	89	282.365	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.38	0.4	-65.93	4	5	1	91	283.373	3	↓ MOL2 SDF SMILES Flexibase

52881116

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-N-[(3S)-1,1-dioxothiolan-3-yl]-2-phenyl-propanamide (2S)-2-amino-N-[(3S)-1,1-dioxoth…

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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	0.1	-14.88	3	5	0	89	282.365	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.38	0.41	-66.07	4	5	1	91	283.373	3	↓ MOL2 SDF SMILES Flexibase

52923036

Analogs

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Popular Name: 2-(3-aminophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-hydroxyethyl)acetamide 2-(3-aminophenyl)-N-[(3R)-1,1-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)	-0.59	-0.32	-19.19	3	6	0	101	312.391	5	↓ MOL2 SDF SMILES Flexibase

52923038

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-aminophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-hydroxyethyl)acetamide 2-(3-aminophenyl)-N-[(3S)-1,1-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)	-0.59	-0.28	-20.07	3	6	0	101	312.391	5	↓ MOL2 SDF SMILES Flexibase

52923250

Analogs

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Popular Name: 2-(3-aminophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-prop-2-ynyl-acetamide 2-(3-aminophenyl)-N-[(3R)-1,1-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)	0.20	3.32	-20.05	2	5	0	80	306.387	4	↓ MOL2 SDF SMILES Flexibase

52923251

Analogs

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Popular Name: 2-(3-aminophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-prop-2-ynyl-acetamide 2-(3-aminophenyl)-N-[(3S)-1,1-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)	0.20	3.32	-17.6	2	5	0	80	306.387	4	↓ MOL2 SDF SMILES Flexibase

52923617

Analogs

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Popular Name: 2-(3-aminophenyl)-N-[(3S)-3-methyl-1,1-dioxo-thiolan-3-yl]acetamide 2-(3-aminophenyl)-N-[(3S)-3-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)	0.24	0.7	-16.58	3	5	0	89	282.365	3	↓ MOL2 SDF SMILES Flexibase

52923618

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-aminophenyl)-N-[(3R)-3-methyl-1,1-dioxo-thiolan-3-yl]acetamide 2-(3-aminophenyl)-N-[(3R)-3-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)	0.24	0.74	-16.22	3	5	0	89	282.365	3	↓ MOL2 SDF SMILES Flexibase

36870015

Analogs

37804792
37804793
37809616
37809617
37809618

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-2-phenyl-acetamide (2R)-2-amino-N-[(3R)-1,1-dioxoth…

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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)	-1.70	0.86	-18.15	2	5	0	80	282.365	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-1.70	1.19	-58.42	3	5	1	82	283.373	3	↓ MOL2 SDF SMILES Flexibase

36870016

Analogs

37804792
37804793
37809616
37809617
37809618

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-phenyl-acetamide (2R)-2-amino-N-[(3S)-1,1-dioxoth…

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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)	-1.70	0.87	-16.48	2	5	0	80	282.365	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-1.70	1.19	-56.34	3	5	1	82	283.373	3	↓ MOL2 SDF SMILES Flexibase

22740947

Analogs

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Popular Name: 2-(4-methoxyphenyl)-N-[(3S)-3-methyl-1,1-dioxo-thiolan-3-yl]acetamide 2-(4-methoxyphenyl)-N-[(3S)-3-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)	1.25	2.19	-18.2	1	5	0	72	297.376	4	↓ MOL2 SDF SMILES Flexibase

22740950

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-methoxyphenyl)-N-[(3R)-3-methyl-1,1-dioxo-thiolan-3-yl]acetamide 2-(4-methoxyphenyl)-N-[(3R)-3-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)	1.25	2.13	-19.58	1	5	0	72	297.376	4	↓ MOL2 SDF SMILES Flexibase

37077242

Analogs

37077243

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3,4-dimethoxyphenyl)-N-[(3S)-3-methyl-1,1-dioxo-thiolan-3-yl]acetamide 2-(3,4-dimethoxyphenyl)-N-[(3S)-…

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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)	0.84	2.03	-20.67	1	6	0	82	327.402	5	↓ MOL2 SDF SMILES Flexibase

37077243

Analogs

37077242

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3,4-dimethoxyphenyl)-N-[(3R)-3-methyl-1,1-dioxo-thiolan-3-yl]acetamide 2-(3,4-dimethoxyphenyl)-N-[(3R)-…

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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)	0.84	2.07	-20.07	1	6	0	82	327.402	5	↓ MOL2 SDF SMILES Flexibase

37077253

Analogs

37077254
3454077

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-chlorophenyl)-N-[(3S)-3-methyl-1,1-dioxo-thiolan-3-yl]acetamide 2-(2-chlorophenyl)-N-[(3S)-3-met…

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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)	1.82	3.27	-15.55	1	4	0	63	301.795	3	↓ MOL2 SDF SMILES Flexibase

37077254

Analogs

37077253
3454077

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-chlorophenyl)-N-[(3R)-3-methyl-1,1-dioxo-thiolan-3-yl]acetamide 2-(2-chlorophenyl)-N-[(3R)-3-met…

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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)	1.82	3.31	-15.41	1	4	0	63	301.795	3	↓ MOL2 SDF SMILES Flexibase

60555363

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-allyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[4-(trifluoromethyl)phenyl]acetamide N-allyl-N-[(3S)-1,1-dioxothiolan…

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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)	2.53	6.72	-20.56	0	4	0	54	361.385	6	↓ MOL2 SDF SMILES Flexibase

60555890

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-allyl-2-(3,4-dichlorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide N-allyl-2-(3,4-dichlorophenyl)-N…

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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)	2.92	6.69	-20.25	0	4	0	54	362.278	5	↓ MOL2 SDF SMILES Flexibase

60560696

Analogs

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Popular Name: 2-(4-butylphenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-acetamide 2-(4-butylphenyl)-N-[(3R)-1,1-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)	3.23	8.12	-16.84	0	4	0	54	337.485	7	↓ MOL2 SDF SMILES Flexibase

14238061

Analogs

14238064
9499951
9499957

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3,4-dichlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-acetamide 2-(3,4-dichlorophenyl)-N-[(3R)-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)	2.27	5.09	-20.44	0	4	0	54	336.24	3	↓ MOL2 SDF SMILES Flexibase

14238064

Analogs

14238061
9499951
9499957

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3,4-dichlorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-acetamide 2-(3,4-dichlorophenyl)-N-[(3S)-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)	2.27	5.08	-18.82	0	4	0	54	336.24	3	↓ MOL2 SDF SMILES Flexibase

14240209

Analogs

14240211
40489179
40489180

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-2-(2-nitrophenyl)acetamide N-[(3R)-1,1-dioxothiolan-3-yl]-N…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.90	4.49	-23.45	0	7	0	100	312.347	4	↓ MOL2 SDF SMILES Flexibase

14240211

Analogs

40489179
40489180
14240209

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-(2-nitrophenyl)acetamide N-[(3S)-1,1-dioxothiolan-3-yl]-N…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.90	4.47	-23.01	0	7	0	100	312.347	4	↓ MOL2 SDF SMILES Flexibase

65539470

Analogs

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Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-fluorophenyl)-N-(3-methoxypropyl)acetamide N-[(3R)-1,1-dioxothiolan-3-yl]-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)	1.36	4.79	-21.73	0	5	0	64	343.42	7	↓ MOL2 SDF SMILES Flexibase

65539475

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-1,1-dioxothiolan-3-yl]-2-(2-fluorophenyl)-N-(3-methoxypropyl)acetamide N-[(3S)-1,1-dioxothiolan-3-yl]-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)	1.36	4.8	-20.57	0	5	0	64	343.42	7	↓ MOL2 SDF SMILES Flexibase

65564283

Analogs

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Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-2-(4-fluorophenyl)-N-(3-methoxypropyl)acetamide N-[(3R)-1,1-dioxothiolan-3-yl]-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)	1.41	4.82	-21.46	0	5	0	64	343.42	7	↓ MOL2 SDF SMILES Flexibase

65564284

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-fluorophenyl)-N-(3-methoxypropyl)acetamide N-[(3S)-1,1-dioxothiolan-3-yl]-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)	1.41	4.84	-21.87	0	5	0	64	343.42	7	↓ MOL2 SDF SMILES Flexibase

65587521

Analogs

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Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-2-methyl-2-[3-(trifluoromethyl)phenyl]propanamide N-[(3R)-1,1-dioxothiolan-3-yl]-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)	2.59	4.33	-19.42	1	4	0	63	349.374	4	↓ MOL2 SDF SMILES Flexibase

65587524

Analogs

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Popular Name: N-[(3S)-1,1-dioxothiolan-3-yl]-2-methyl-2-[3-(trifluoromethyl)phenyl]propanamide N-[(3S)-1,1-dioxothiolan-3-yl]-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)	2.59	4.33	-18.04	1	4	0	63	349.374	4	↓ MOL2 SDF SMILES Flexibase

69950612

Analogs

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Popular Name: 2-(4-butylphenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-prop-2-ynyl-acetamide 2-(4-butylphenyl)-N-[(3R)-1,1-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)	3.01	8.43	-17.59	0	4	0	54	347.48	7	↓ MOL2 SDF SMILES Flexibase

69950614

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-butylphenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-prop-2-ynyl-acetamide 2-(4-butylphenyl)-N-[(3S)-1,1-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)	3.01	8.44	-17.92	0	4	0	54	347.48	7	↓ MOL2 SDF SMILES Flexibase

67510184

Analogs

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Popular Name: 2-(4-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-methoxyethyl)acetamide 2-(4-chlorophenyl)-N-[(3R)-1,1-d…

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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)	1.65	5.41	-20.41	0	5	0	64	345.848	6	↓ MOL2 SDF SMILES Flexibase

67510185

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-chlorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methoxyethyl)acetamide 2-(4-chlorophenyl)-N-[(3S)-1,1-d…

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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)	1.65	5.42	-21.05	0	5	0	64	345.848	6	↓ MOL2 SDF SMILES Flexibase

67510204

Analogs

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Popular Name: 2-(4-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(3-methoxypropyl)acetamide 2-(4-chlorophenyl)-N-[(3R)-1,1-d…

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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)	1.92	5.27	-20.68	0	5	0	64	359.875	7	↓ MOL2 SDF SMILES Flexibase

67510205

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-chlorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-(3-methoxypropyl)acetamide 2-(4-chlorophenyl)-N-[(3S)-1,1-d…

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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)	1.92	5.29	-20.98	0	5	0	64	359.875	7	↓ MOL2 SDF SMILES Flexibase

49276066

Analogs

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Popular Name: 2-(3-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-2,2-difluoro-acetamide 2-(3-chlorophenyl)-N-[(3R)-1,1-d…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.83	2.99	-15.45	1	4	0	63	323.748	3	↓ MOL2 SDF SMILES Flexibase

49276069

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-chlorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-2,2-difluoro-acetamide 2-(3-chlorophenyl)-N-[(3S)-1,1-d…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.83	2.99	-14.64	1	4	0	63	323.748	3	↓ MOL2 SDF SMILES Flexibase

41573443

Analogs

41573444

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-methoxyphenyl)acetamide N-[(3R)-1,1-dioxothiolan-3-yl]-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)	0.75	1.73	-18.33	1	5	0	72	283.349	4	↓ MOL2 SDF SMILES Flexibase

41573444

Analogs

41573443

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-1,1-dioxothiolan-3-yl]-2-(2-methoxyphenyl)acetamide N-[(3S)-1,1-dioxothiolan-3-yl]-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)	0.75	1.74	-17.72	1	5	0	72	283.349	4	↓ MOL2 SDF SMILES Flexibase

37825694

Analogs

20185687
20185689
20185711

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Popular Name: 2-(4-aminophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-prop-2-ynyl-acetamide 2-(4-aminophenyl)-N-[(3R)-1,1-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)	0.22	3.33	-19.8	2	5	0	80	306.387	4	↓ MOL2 SDF SMILES Flexibase

37825695

Analogs

20185687
20185689
20185711

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-aminophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-prop-2-ynyl-acetamide 2-(4-aminophenyl)-N-[(3S)-1,1-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)	0.22	3.33	-17.38	2	5	0	80	306.387	4	↓ MOL2 SDF SMILES Flexibase

37825704

Analogs

36870015
36870016
34758216

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-N-[(3R)-1,1-dioxothiolan-3-yl]-2-phenyl-N-prop-2-ynyl-acetamide (2R)-2-amino-N-[(3R)-1,1-dioxoth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-1.54	1.75	-18.19	2	5	0	80	306.387	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-1.54	2.08	-59.76	3	5	1	82	307.395	4	↓ MOL2 SDF SMILES Flexibase

37825705

Analogs

36870015
36870016
34758216

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-N-[(3S)-1,1-dioxothiolan-3-yl]-2-phenyl-N-prop-2-ynyl-acetamide (2R)-2-amino-N-[(3S)-1,1-dioxoth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-1.54	1.76	-15.82	2	5	0	80	306.387	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-1.54	2.09	-56.66	3	5	1	82	307.395	4	↓ MOL2 SDF SMILES Flexibase

37825706

Analogs

36870015
36870016
34758216

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-N-[(3R)-1,1-dioxothiolan-3-yl]-2-phenyl-N-prop-2-ynyl-acetamide (2S)-2-amino-N-[(3R)-1,1-dioxoth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-1.54	2.14	-16.37	2	5	0	80	306.387	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-1.54	2.48	-53.16	3	5	1	82	307.395	4	↓ MOL2 SDF SMILES Flexibase

37825707

Analogs

36870015
36870016
34758216

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-N-[(3S)-1,1-dioxothiolan-3-yl]-2-phenyl-N-prop-2-ynyl-acetamide (2S)-2-amino-N-[(3S)-1,1-dioxoth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-1.54	2.14	-14.94	2	5	0	80	306.387	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-1.54	2.49	-53.19	3	5	1	82	307.395	4	↓ MOL2 SDF SMILES Flexibase

37830799

Analogs

37391788
37391789
37391790
37391791
37391644

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-hydroxyethyl)-2-phenyl-acetamide (2S)-2-chloro-N-[(3R)-1,1-dioxot…

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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	2.25	-17.61	1	5	0	75	331.821	5	↓ MOL2 SDF SMILES Flexibase

37830800

Analogs

37391788
37391789
37391790
37391791
37391644

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-hydroxyethyl)-2-phenyl-acetamide (2R)-2-chloro-N-[(3R)-1,1-dioxot…

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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	2.16	-18.51	1	5	0	75	331.821	5	↓ MOL2 SDF SMILES Flexibase

37830801

Analogs

37391788
37391789
37391790
37391791
37391644

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-hydroxyethyl)-2-phenyl-acetamide (2S)-2-chloro-N-[(3S)-1,1-dioxot…

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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	2.28	-19.23	1	5	0	75	331.821	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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