ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

50907001

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(2,5-dichlorophenyl)sulfanyl-N-[(3R)-3-methyl-1,1-dioxo-thiolan-3-yl]propanamide (2S)-2-(2,5-dichlorophenyl)sulfa…

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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)	3.09	4.77	-15.61	1	4	0	63	382.334	4	↓ MOL2 SDF SMILES Flexibase

50907003

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(2,5-dichlorophenyl)sulfanyl-N-[(3R)-3-methyl-1,1-dioxo-thiolan-3-yl]propanamide (2R)-2-(2,5-dichlorophenyl)sulfa…

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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)	3.09	4.78	-15.66	1	4	0	63	382.334	4	↓ MOL2 SDF SMILES Flexibase

50907005

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(2,5-dichlorophenyl)sulfanyl-N-[(3S)-3-methyl-1,1-dioxo-thiolan-3-yl]propanamide (2S)-2-(2,5-dichlorophenyl)sulfa…

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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)	3.09	4.73	-15.75	1	4	0	63	382.334	4	↓ MOL2 SDF SMILES Flexibase

50907007

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(2,5-dichlorophenyl)sulfanyl-N-[(3S)-3-methyl-1,1-dioxo-thiolan-3-yl]propanamide (2R)-2-(2,5-dichlorophenyl)sulfa…

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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)	3.09	4.73	-16.08	1	4	0	63	382.334	4	↓ MOL2 SDF SMILES Flexibase

23027657

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(4-chlorophenyl)sulfanyl-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-propanamide (2R)-2-(4-chlorophenyl)sulfanyl-…

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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)	2.28	5.48	-19.25	0	4	0	54	347.889	4	↓ MOL2 SDF SMILES Flexibase

23027660

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(4-chlorophenyl)sulfanyl-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-propanamide (2S)-2-(4-chlorophenyl)sulfanyl-…

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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)	2.28	5.46	-19.42	0	4	0	54	347.889	4	↓ MOL2 SDF SMILES Flexibase

23027663

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(4-chlorophenyl)sulfanyl-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-propanamide (2R)-2-(4-chlorophenyl)sulfanyl-…

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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)	2.28	5.78	-16.97	0	4	0	54	347.889	4	↓ MOL2 SDF SMILES Flexibase

23027666

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(4-chlorophenyl)sulfanyl-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-propanamide (2S)-2-(4-chlorophenyl)sulfanyl-…

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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)	2.28	5.7	-18.2	0	4	0	54	347.889	4	↓ MOL2 SDF SMILES Flexibase

23027702

Analogs

16222786
16222787
16222788
16222789

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-2-(p-tolylsulfanyl)propanamide (2R)-N-[(3R)-1,1-dioxothiolan-3-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.05	5.89	-18.71	0	4	0	54	327.471	4	↓ MOL2 SDF SMILES Flexibase

23027704

Analogs

16222786
16222787
16222788
16222789

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-2-(p-tolylsulfanyl)propanamide (2S)-N-[(3R)-1,1-dioxothiolan-3-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.05	5.6	-20.03	0	4	0	54	327.471	4	↓ MOL2 SDF SMILES Flexibase

23027707

Analogs

16222786
16222787
16222788
16222789

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-(p-tolylsulfanyl)propanamide (2R)-N-[(3S)-1,1-dioxothiolan-3-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.05	5.92	-17.52	0	4	0	54	327.471	4	↓ MOL2 SDF SMILES Flexibase

23027710

Analogs

16222786
16222787
16222788
16222789

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-(p-tolylsulfanyl)propanamide (2S)-N-[(3S)-1,1-dioxothiolan-3-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.05	5.84	-18.67	0	4	0	54	327.471	4	↓ MOL2 SDF SMILES Flexibase

52431085

Analogs

22045211
22045215
22045219
22045224

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(5-tert-butyl-2-methyl-phenyl)sulfanyl-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-propanamide (2R)-2-(5-tert-butyl-2-methyl-ph…

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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)	4.06	8.85	-17.44	0	4	0	54	397.606	6	↓ MOL2 SDF SMILES Flexibase

52431087

Analogs

22045211
22045215
22045219
22045224

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(5-tert-butyl-2-methyl-phenyl)sulfanyl-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-propanamide (2R)-2-(5-tert-butyl-2-methyl-ph…

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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)	4.06	8.82	-19.27	0	4	0	54	397.606	6	↓ MOL2 SDF SMILES Flexibase

52431089

Analogs

22045211
22045215
22045219
22045224

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(5-tert-butyl-2-methyl-phenyl)sulfanyl-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-propanamide (2S)-2-(5-tert-butyl-2-methyl-ph…

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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)	4.06	8.84	-17.35	0	4	0	54	397.606	6	↓ MOL2 SDF SMILES Flexibase

52431091

Analogs

22045211
22045215
22045219
22045224

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(5-tert-butyl-2-methyl-phenyl)sulfanyl-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-propanamide (2S)-2-(5-tert-butyl-2-methyl-ph…

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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)	4.06	8.85	-20.13	0	4	0	54	397.606	6	↓ MOL2 SDF SMILES Flexibase

52448582

Analogs

25402624
25402628
24269962

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(2,3,5,6-tetramethylphenyl)sulfanyl-propanamide (2R)-N-[(3R)-1,1-dioxothiolan-3-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.56	8.16	-17.34	0	4	0	54	383.579	5	↓ MOL2 SDF SMILES Flexibase

52448586

Analogs

24269962
24269965
24269970

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(2,3,5,6-tetramethylphenyl)sulfanyl-propanamide (2R)-N-[(3S)-1,1-dioxothiolan-3-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.56	8.13	-19.03	0	4	0	54	383.579	5	↓ MOL2 SDF SMILES Flexibase

52448589

Analogs

24269962
24269965
24269970

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(2,3,5,6-tetramethylphenyl)sulfanyl-propanamide (2S)-N-[(3R)-1,1-dioxothiolan-3-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.56	8.23	-17.07	0	4	0	54	383.579	5	↓ MOL2 SDF SMILES Flexibase

52448591

Analogs

24269962
24269965
24269970

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(2,3,5,6-tetramethylphenyl)sulfanyl-propanamide (2S)-N-[(3S)-1,1-dioxothiolan-3-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.56	8.24	-19.79	0	4	0	54	383.579	5	↓ MOL2 SDF SMILES Flexibase

55108693

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	0.70	2.47	-17.14	1	5	0	75	329.443	5	↓ MOL2 SDF SMILES Flexibase

69704623

Analogs

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.65	3.38	-17.91	1	4	0	63	319.835	4	↓ MOL2 SDF SMILES Flexibase

69704624

Analogs

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.65	3.39	-17.12	1	4	0	63	319.835	4	↓ MOL2 SDF SMILES Flexibase

65594547

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-2-(m-tolylsulfanyl)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)	1.42	3.52	-19.18	1	4	0	63	299.417	4	↓ MOL2 SDF SMILES Flexibase

65594549

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-1,1-dioxothiolan-3-yl]-2-(m-tolylsulfanyl)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)	1.42	3.53	-18.25	1	4	0	63	299.417	4	↓ MOL2 SDF SMILES Flexibase

37181574

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-aminophenyl)sulfanyl-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-acetamide 2-(4-aminophenyl)sulfanyl-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)	0.69	3.49	-18.97	2	5	0	80	328.459	5	↓ MOL2 SDF SMILES Flexibase

37181576

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-aminophenyl)sulfanyl-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-acetamide 2-(4-aminophenyl)sulfanyl-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)	0.69	3.5	-21.31	2	5	0	80	328.459	5	↓ MOL2 SDF SMILES Flexibase

37181665

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-aminophenyl)sulfanyl-N-[(3R,4R)-4-chloro-1,1-dioxo-thiolan-3-yl]acetamide 2-(4-aminophenyl)sulfanyl-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)	0.40	2.02	-18.58	3	5	0	89	334.85	4	↓ MOL2 SDF SMILES Flexibase

37181667

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-aminophenyl)sulfanyl-N-[(3S,4R)-4-chloro-1,1-dioxo-thiolan-3-yl]acetamide 2-(4-aminophenyl)sulfanyl-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)	0.40	1.31	-18	3	5	0	89	334.85	4	↓ MOL2 SDF SMILES Flexibase

37181669

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-aminophenyl)sulfanyl-N-[(3R,4S)-4-chloro-1,1-dioxo-thiolan-3-yl]acetamide 2-(4-aminophenyl)sulfanyl-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)	0.40	1.29	-22.57	3	5	0	89	334.85	4	↓ MOL2 SDF SMILES Flexibase

37181670

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-aminophenyl)sulfanyl-N-[(3S,4S)-4-chloro-1,1-dioxo-thiolan-3-yl]acetamide 2-(4-aminophenyl)sulfanyl-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)	0.40	1.42	-18.13	3	5	0	89	334.85	4	↓ MOL2 SDF SMILES Flexibase

37182008

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-aminophenyl)sulfanyl-N-[(3S)-3-methyl-1,1-dioxo-thiolan-3-yl]acetamide 2-(4-aminophenyl)sulfanyl-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)	0.52	1.18	-17.64	3	5	0	89	314.432	4	↓ MOL2 SDF SMILES Flexibase

37182010

Analogs

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Popular Name: 2-(4-aminophenyl)sulfanyl-N-[(3R)-3-methyl-1,1-dioxo-thiolan-3-yl]acetamide 2-(4-aminophenyl)sulfanyl-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)	0.52	1.22	-17.28	3	5	0	89	314.432	4	↓ MOL2 SDF SMILES Flexibase

37182122

Analogs

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Popular Name: 2-(4-aminophenyl)sulfanyl-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide 2-(4-aminophenyl)sulfanyl-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)	0.07	0.73	-19.73	3	5	0	89	300.405	4	↓ MOL2 SDF SMILES Flexibase

37182124

Analogs

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Popular Name: 2-(4-aminophenyl)sulfanyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide 2-(4-aminophenyl)sulfanyl-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)	0.07	0.74	-18.86	3	5	0	89	300.405	4	↓ MOL2 SDF SMILES Flexibase

37182248

Analogs

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Popular Name: 2-(4-aminophenyl)sulfanyl-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-acetamide 2-(4-aminophenyl)sulfanyl-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)	0.32	2.51	-20.82	2	5	0	80	314.432	4	↓ MOL2 SDF SMILES Flexibase

37182250

Analogs

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Popular Name: 2-(4-aminophenyl)sulfanyl-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-acetamide 2-(4-aminophenyl)sulfanyl-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)	0.32	2.51	-19.36	2	5	0	80	314.432	4	↓ MOL2 SDF SMILES Flexibase

37192773

Analogs

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Popular Name: 2-(2-amino-4-methyl-phenyl)sulfanyl-N-[(3R,4R)-4-chloro-1,1-dioxo-thiolan-3-yl]acetamide 2-(2-amino-4-methyl-phenyl)sulfa…

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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)	1.18	2.77	-17.9	3	5	0	89	348.877	4	↓ MOL2 SDF SMILES Flexibase

37192774

Analogs

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Popular Name: 2-(2-amino-4-methyl-phenyl)sulfanyl-N-[(3S,4R)-4-chloro-1,1-dioxo-thiolan-3-yl]acetamide 2-(2-amino-4-methyl-phenyl)sulfa…

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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)	1.18	2.05	-17.22	3	5	0	89	348.877	4	↓ MOL2 SDF SMILES Flexibase

37192775

Analogs

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Popular Name: 2-(2-amino-4-methyl-phenyl)sulfanyl-N-[(3R,4S)-4-chloro-1,1-dioxo-thiolan-3-yl]acetamide 2-(2-amino-4-methyl-phenyl)sulfa…

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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)	1.18	2.03	-21.71	3	5	0	89	348.877	4	↓ MOL2 SDF SMILES Flexibase

37192776

Analogs

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Popular Name: 2-(2-amino-4-methyl-phenyl)sulfanyl-N-[(3S,4S)-4-chloro-1,1-dioxo-thiolan-3-yl]acetamide 2-(2-amino-4-methyl-phenyl)sulfa…

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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)	1.18	2.17	-17.41	3	5	0	89	348.877	4	↓ MOL2 SDF SMILES Flexibase

37192945

Analogs

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

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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)	1.30	1.97	-16.7	3	5	0	89	328.459	4	↓ MOL2 SDF SMILES Flexibase

37192946

Analogs

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

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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)	1.30	1.92	-16.92	3	5	0	89	328.459	4	↓ MOL2 SDF SMILES Flexibase

37193010

Analogs

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Popular Name: 2-(2-amino-4-methyl-phenyl)sulfanyl-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide 2-(2-amino-4-methyl-phenyl)sulfa…

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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)	0.86	1.48	-18.87	3	5	0	89	314.432	4	↓ MOL2 SDF SMILES Flexibase

37193011

Analogs

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Popular Name: 2-(2-amino-4-methyl-phenyl)sulfanyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide 2-(2-amino-4-methyl-phenyl)sulfa…

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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)	0.86	1.49	-18.07	3	5	0	89	314.432	4	↓ MOL2 SDF SMILES Flexibase

37193094

Analogs

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Popular Name: 2-(2-amino-4-methyl-phenyl)sulfanyl-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-acetamide 2-(2-amino-4-methyl-phenyl)sulfa…

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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	3.24	-19.83	2	5	0	80	328.459	4	↓ MOL2 SDF SMILES Flexibase

37193095

Analogs

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Popular Name: 2-(2-amino-4-methyl-phenyl)sulfanyl-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-acetamide 2-(2-amino-4-methyl-phenyl)sulfa…

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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	3.26	-18.55	2	5	0	80	328.459	4	↓ MOL2 SDF SMILES Flexibase

37193427

Analogs

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Popular Name: 2-(4-amino-2-methyl-phenyl)sulfanyl-N-[(3R,4R)-4-chloro-1,1-dioxo-thiolan-3-yl]acetamide 2-(4-amino-2-methyl-phenyl)sulfa…

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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)	0.77	2.59	-18.4	3	5	0	89	348.877	4	↓ MOL2 SDF SMILES Flexibase

37193428

Analogs

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Popular Name: 2-(4-amino-2-methyl-phenyl)sulfanyl-N-[(3S,4R)-4-chloro-1,1-dioxo-thiolan-3-yl]acetamide 2-(4-amino-2-methyl-phenyl)sulfa…

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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)	0.77	1.88	-17.65	3	5	0	89	348.877	4	↓ MOL2 SDF SMILES Flexibase

37193429

Analogs

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Popular Name: 2-(4-amino-2-methyl-phenyl)sulfanyl-N-[(3R,4S)-4-chloro-1,1-dioxo-thiolan-3-yl]acetamide 2-(4-amino-2-methyl-phenyl)sulfa…

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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)	0.77	1.86	-22.17	3	5	0	89	348.877	4	↓ MOL2 SDF SMILES Flexibase

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