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ZINC Item

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53663076

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-aminoethyl)-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]benzamide 3-(2-aminoethyl)-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)	-0.01	1.15	-60.93	4	5	1	91	297.4	5	↓ MOL2 SDF SMILES Flexibase

53663080

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-aminoethyl)-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]benzamide 3-(2-aminoethyl)-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)	-0.01	1.15	-61.37	4	5	1	91	297.4	5	↓ MOL2 SDF SMILES Flexibase

54414879

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-4-nitro-benzamide 3-amino-N-[[(3S)-1,1-dioxothiola…

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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	1.13	-21.82	3	8	0	135	313.335	4	↓ MOL2 SDF SMILES Flexibase

54414880

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-4-nitro-benzamide 3-amino-N-[[(3R)-1,1-dioxothiola…

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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	1.12	-22.42	3	8	0	135	313.335	4	↓ MOL2 SDF SMILES Flexibase

54416460

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-3-fluoro-4-nitro-benzamide N-[[(3S)-1,1-dioxothiolan-3-yl]m…

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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)	1.08	3.08	-22.05	1	7	0	109	316.31	4	↓ MOL2 SDF SMILES Flexibase

54416461

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-3-fluoro-4-nitro-benzamide N-[[(3R)-1,1-dioxothiolan-3-yl]m…

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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)	1.08	3.08	-22.55	1	7	0	109	316.31	4	↓ MOL2 SDF SMILES Flexibase

58306278

Analogs

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Popular Name: N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-5-ethyl-2-hydroxy-benzamide N-[[(3S)-1,1-dioxothiolan-3-yl]m…

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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)	2.41	2.32	-20.07	2	5	0	83	297.376	4	↓ MOL2 SDF SMILES Flexibase

58306280

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-5-ethyl-2-hydroxy-benzamide N-[[(3R)-1,1-dioxothiolan-3-yl]m…

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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)	2.41	2.31	-20.69	2	5	0	83	297.376	4	↓ MOL2 SDF SMILES Flexibase

58316196

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-2-hydroxy-5-isopropyl-benzamide N-[[(3S)-1,1-dioxothiolan-3-yl]m…

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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	2.8	-19.84	2	5	0	83	311.403	4	↓ MOL2 SDF SMILES Flexibase

58316198

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-hydroxy-5-isopropyl-benzamide N-[[(3R)-1,1-dioxothiolan-3-yl]m…

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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	2.79	-20.5	2	5	0	83	311.403	4	↓ MOL2 SDF SMILES Flexibase

58341174

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-4-[ethyl(isopropyl)amino]benzamide N-[[(3S)-1,1-dioxothiolan-3-yl]m…

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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)	2.19	5.32	-18.22	1	5	0	66	338.473	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.19	5.18	-90.44	2	5	0	68	339.481	6	↓ MOL2 SDF SMILES Flexibase

58341175

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-4-[ethyl(isopropyl)amino]benzamide N-[[(3R)-1,1-dioxothiolan-3-yl]m…

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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)	2.19	5.3	-18.89	1	5	0	66	338.473	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.19	5.18	-91.49	2	5	0	68	339.481	6	↓ MOL2 SDF SMILES Flexibase

62819883

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-2-(isopropylamino)benzamide N-[[(3S)-1,1-dioxothiolan-3-yl]m…

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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)	2.18	3.08	-17.36	2	5	0	75	310.419	5	↓ MOL2 SDF SMILES Flexibase

62819884

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-(isopropylamino)benzamide N-[[(3R)-1,1-dioxothiolan-3-yl]m…

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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)	2.18	3.05	-17.93	2	5	0	75	310.419	5	↓ MOL2 SDF SMILES Flexibase

69161003

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-4-[methyl(propyl)amino]benzamide N-[[(3S)-1,1-dioxothiolan-3-yl]m…

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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)	2.01	4.46	-19.33	1	5	0	66	324.446	6	↓ MOL2 SDF SMILES Flexibase

69161004

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-4-[methyl(propyl)amino]benzamide N-[[(3R)-1,1-dioxothiolan-3-yl]m…

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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)	2.01	4.44	-20.04	1	5	0	66	324.446	6	↓ MOL2 SDF SMILES Flexibase

63005770

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-3,5-difluoro-benzamide 4-amino-N-[[(3S)-1,1-dioxothiola…

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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	0.41	-18.68	3	5	0	89	304.318	3	↓ MOL2 SDF SMILES Flexibase

63005771

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-3,5-difluoro-benzamide 4-amino-N-[[(3R)-1,1-dioxothiola…

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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	0.39	-19.29	3	5	0	89	304.318	3	↓ MOL2 SDF SMILES Flexibase

63005772

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-3,5-difluoro-4-(methylamino)benzamide N-[[(3S)-1,1-dioxothiolan-3-yl]m…

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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	1.22	-18.64	2	5	0	75	318.345	4	↓ MOL2 SDF SMILES Flexibase

63005773

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-3,5-difluoro-4-(methylamino)benzamide N-[[(3R)-1,1-dioxothiolan-3-yl]m…

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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	1.2	-19.28	2	5	0	75	318.345	4	↓ MOL2 SDF SMILES Flexibase

63007536

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-3,5-difluoro-4-hydrazino-benzamide N-[[(3S)-1,1-dioxothiolan-3-yl]m…

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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)	0.46	0.2	-19.84	4	6	0	101	319.333	4	↓ MOL2 SDF SMILES Flexibase

63007537

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-3,5-difluoro-4-hydrazino-benzamide N-[[(3R)-1,1-dioxothiolan-3-yl]m…

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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)	0.46	0.18	-20.43	4	6	0	101	319.333	4	↓ MOL2 SDF SMILES Flexibase

63011443

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-3,4,5-trifluoro-benzamide N-[[(3S)-1,1-dioxothiolan-3-yl]m…

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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)	1.38	2.53	-19.68	1	4	0	63	307.293	3	↓ MOL2 SDF SMILES Flexibase

63011444

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-3,4,5-trifluoro-benzamide N-[[(3R)-1,1-dioxothiolan-3-yl]m…

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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)	1.38	2.53	-20.26	1	4	0	63	307.293	3	↓ MOL2 SDF SMILES Flexibase

65507085

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)	1.08	3.38	-22.96	2	7	0	102	354.428	8	↓ MOL2 SDF SMILES Flexibase

65507089

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)	1.08	3.35	-23.67	2	7	0	102	354.428	8	↓ MOL2 SDF SMILES Flexibase

55463660

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-2-hydroxy-3-methyl-benzamide N-[[(3S)-1,1-dioxothiolan-3-yl]m…

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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)	1.72	1.6	-20.7	2	5	0	83	283.349	3	↓ MOL2 SDF SMILES Flexibase

55463665

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-hydroxy-3-methyl-benzamide N-[[(3R)-1,1-dioxothiolan-3-yl]m…

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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)	1.72	1.58	-21.38	2	5	0	83	283.349	3	↓ MOL2 SDF SMILES Flexibase

55463668

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-2-hydroxy-3-methoxy-benzamide N-[[(3S)-1,1-dioxothiolan-3-yl]m…

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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)	1.13	0.64	-23.58	2	6	0	93	299.348	4	↓ MOL2 SDF SMILES Flexibase

55463669

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-hydroxy-3-methoxy-benzamide N-[[(3R)-1,1-dioxothiolan-3-yl]m…

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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)	1.13	0.63	-24.27	2	6	0	93	299.348	4	↓ MOL2 SDF SMILES Flexibase

55463671

Analogs

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Popular Name: 4-chloro-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-2-hydroxy-benzamide 4-chloro-N-[[(3S)-1,1-dioxothiol…

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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)	2.18	1.4	-20.38	2	5	0	83	303.767	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.18	2.41	-58.25	1	5	-1	86	302.759	3	↓ MOL2 SDF SMILES Flexibase

55463674

Analogs

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Popular Name: 4-chloro-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-hydroxy-benzamide 4-chloro-N-[[(3R)-1,1-dioxothiol…

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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)	2.18	1.39	-21.17	2	5	0	83	303.767	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.18	2.4	-59.19	1	5	-1	86	302.759	3	↓ MOL2 SDF SMILES Flexibase

55463675

Analogs

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Popular Name: N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-2-hydroxy-5-methoxy-benzamide N-[[(3S)-1,1-dioxothiolan-3-yl]m…

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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)	1.55	0.18	-19.91	2	6	0	93	299.348	4	↓ MOL2 SDF SMILES Flexibase

55463677

Analogs

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Popular Name: N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-hydroxy-5-methoxy-benzamide N-[[(3R)-1,1-dioxothiolan-3-yl]m…

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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)	1.55	0.17	-20.41	2	6	0	93	299.348	4	↓ MOL2 SDF SMILES Flexibase

40346379

Analogs

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Popular Name: 5-amino-2-chloro-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]benzamide 5-amino-2-chloro-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)	0.72	0.73	-20.63	3	5	0	89	302.783	3	↓ MOL2 SDF SMILES Flexibase

40346380

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-chloro-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]benzamide 5-amino-2-chloro-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)	0.72	0.73	-21.39	3	5	0	89	302.783	3	↓ MOL2 SDF SMILES Flexibase

40346381

Analogs

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Popular Name: 2-amino-4-chloro-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]benzamide 2-amino-4-chloro-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)	1.12	1.07	-17.22	3	5	0	89	302.783	3	↓ MOL2 SDF SMILES Flexibase

40346382

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-4-chloro-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]benzamide 2-amino-4-chloro-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)	1.12	1.05	-17.98	3	5	0	89	302.783	3	↓ MOL2 SDF SMILES Flexibase

40346383

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-2-chloro-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]benzamide 4-amino-2-chloro-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)	0.72	0.73	-21.11	3	5	0	89	302.783	3	↓ MOL2 SDF SMILES Flexibase

40346384

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-2-chloro-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]benzamide 4-amino-2-chloro-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)	0.72	0.72	-21.9	3	5	0	89	302.783	3	↓ MOL2 SDF SMILES Flexibase

40346385

Analogs

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Popular Name: 2-amino-5-chloro-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]benzamide 2-amino-5-chloro-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)	1.12	1.07	-16.15	3	5	0	89	302.783	3	↓ MOL2 SDF SMILES Flexibase

40346386

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-5-chloro-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]benzamide 2-amino-5-chloro-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)	1.12	1.05	-16.6	3	5	0	89	302.783	3	↓ MOL2 SDF SMILES Flexibase

40346387

Analogs

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Popular Name: 3-amino-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-4-methoxy-benzamide 3-amino-N-[[(3S)-1,1-dioxothiola…

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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)	0.50	-0.37	-20.14	3	6	0	98	298.364	4	↓ MOL2 SDF SMILES Flexibase

40346388

Analogs

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Popular Name: 3-amino-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-4-methoxy-benzamide 3-amino-N-[[(3R)-1,1-dioxothiola…

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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)	0.50	-0.37	-20.94	3	6	0	98	298.364	4	↓ MOL2 SDF SMILES Flexibase

40346389

Analogs

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Popular Name: 3-amino-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-2-methyl-benzamide 3-amino-N-[[(3S)-1,1-dioxothiola…

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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)	0.87	1.02	-18.38	3	5	0	89	282.365	3	↓ MOL2 SDF SMILES Flexibase

40346390

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-methyl-benzamide 3-amino-N-[[(3R)-1,1-dioxothiola…

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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)	0.87	1.01	-18.88	3	5	0	89	282.365	3	↓ MOL2 SDF SMILES Flexibase

40346393

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-3-methyl-benzamide 2-amino-N-[[(3S)-1,1-dioxothiola…

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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)	0.87	1.32	-17.23	3	5	0	89	282.365	3	↓ MOL2 SDF SMILES Flexibase

40346394

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-3-methyl-benzamide 2-amino-N-[[(3R)-1,1-dioxothiola…

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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)	0.87	1.3	-17.9	3	5	0	89	282.365	3	↓ MOL2 SDF SMILES Flexibase

40346395

Analogs

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Popular Name: 2-amino-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-6-methyl-benzamide 2-amino-N-[[(3S)-1,1-dioxothiola…

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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)	0.87	0.62	-17.87	3	5	0	89	282.365	3	↓ MOL2 SDF SMILES Flexibase

40346396

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-6-methyl-benzamide 2-amino-N-[[(3R)-1,1-dioxothiola…

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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)	0.87	0.62	-18.36	3	5	0	89	282.365	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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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 = 109012 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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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', {
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