ZINC 12

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Quick Search ZINC ID or SMILES

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ZINC Item

Suppliers, Protomers, & Similar Substances

36753510

Analogs

47817137
48734612
48737016
48889846
48938502

Draw Identity 99% 90% 80% 70%

Popular Name: (4-amino-1-piperidyl)-(1,2,5-thiadiazol-3-yl)methanone (4-amino-1-piperidyl)-(1,2,5-thi…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.53	0.03	-49.78	3	5	1	74	213.286	1	↓ MOL2 SDF SMILES Flexibase

62842563

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-1-(1,2,5-thiadiazole-3-carbonyl)piperidine-4-carboxylic 4-methyl-1-(1,2,5-thiadiazole-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)	0.47	3.58	-46.75	0	6	-1	86	254.291	2	↓ MOL2 SDF SMILES Flexibase

62844815

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-1-(1,2,5-thiadiazole-3-carbonyl)piperidine-4-carboxylic 4-ethyl-1-(1,2,5-thiadiazole-3-c…

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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)	0.80	4.05	-45.5	0	6	-1	86	268.318	3	↓ MOL2 SDF SMILES Flexibase

62845139

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-propyl-1-(1,2,5-thiadiazole-3-carbonyl)piperidine-4-carboxylic 4-propyl-1-(1,2,5-thiadiazole-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)	1.36	4.82	-46.4	0	6	-1	86	282.345	4	↓ MOL2 SDF SMILES Flexibase

62869252

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-1-(1,2,5-thiadiazole-3-carbonyl)piperidine-3-carboxylic (3S)-3-methyl-1-(1,2,5-thiadiazo…

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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)	0.47	4.01	-47.3	0	6	-1	86	254.291	2	↓ MOL2 SDF SMILES Flexibase

62869253

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-1-(1,2,5-thiadiazole-3-carbonyl)piperidine-3-carboxylic (3R)-3-methyl-1-(1,2,5-thiadiazo…

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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)	0.47	4.05	-47.19	0	6	-1	86	254.291	2	↓ MOL2 SDF SMILES Flexibase

62870019

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-1-(1,2,5-thiadiazole-3-carbonyl)piperidine-3-carboxylic (3S)-3-ethyl-1-(1,2,5-thiadiazol…

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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)	0.80	4.46	-45.77	0	6	-1	86	268.318	3	↓ MOL2 SDF SMILES Flexibase

62870020

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-1-(1,2,5-thiadiazole-3-carbonyl)piperidine-3-carboxylic (3R)-3-ethyl-1-(1,2,5-thiadiazol…

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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)	0.80	4.53	-45.67	0	6	-1	86	268.318	3	↓ MOL2 SDF SMILES Flexibase

62872198

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-propyl-1-(1,2,5-thiadiazole-3-carbonyl)piperidine-3-carboxylic (3S)-3-propyl-1-(1,2,5-thiadiazo…

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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	5.23	-46.19	0	6	-1	86	282.345	4	↓ MOL2 SDF SMILES Flexibase

62872199

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-propyl-1-(1,2,5-thiadiazole-3-carbonyl)piperidine-3-carboxylic (3R)-3-propyl-1-(1,2,5-thiadiazo…

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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	5.28	-46.09	0	6	-1	86	282.345	4	↓ MOL2 SDF SMILES Flexibase

69718672

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R,4R)-3-amino-4-methyl-1-piperidyl]-(1,2,5-thiadiazol-3-yl)methanone [(3R,4R)-3-amino-4-methyl-1-pipe…

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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)	-0.05	0.44	-46.2	3	5	1	74	227.313	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.05	0.54	-4.68	2	5	0	72	226.305	1	↓ MOL2 SDF SMILES Flexibase

69718674

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R,4S)-3-amino-4-methyl-1-piperidyl]-(1,2,5-thiadiazol-3-yl)methanone [(3R,4S)-3-amino-4-methyl-1-pipe…

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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)	-0.05	0.66	-46.06	3	5	1	74	227.313	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.05	0.36	-4.58	2	5	0	72	226.305	1	↓ MOL2 SDF SMILES Flexibase

69718675

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S,4R)-3-amino-4-methyl-1-piperidyl]-(1,2,5-thiadiazol-3-yl)methanone [(3S,4R)-3-amino-4-methyl-1-pipe…

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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)	-0.05	0.64	-45.9	3	5	1	74	227.313	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.05	0.38	-4.77	2	5	0	72	226.305	1	↓ MOL2 SDF SMILES Flexibase

69718676

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S,4S)-3-amino-4-methyl-1-piperidyl]-(1,2,5-thiadiazol-3-yl)methanone [(3S,4S)-3-amino-4-methyl-1-pipe…

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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)	-0.05	0.42	-46.06	3	5	1	74	227.313	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.05	0.79	-3.94	2	5	0	72	226.305	1	↓ MOL2 SDF SMILES Flexibase

69720801

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-2-(2-aminoethyl)-1-piperidyl]-(1,2,5-thiadiazol-3-yl)methanone [(2R)-2-(2-aminoethyl)-1-piperid…

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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)	0.18	1.32	-42.11	3	5	1	74	241.34	3	↓ MOL2 SDF SMILES Flexibase

69720803

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-2-(2-aminoethyl)-1-piperidyl]-(1,2,5-thiadiazol-3-yl)methanone [(2S)-2-(2-aminoethyl)-1-piperid…

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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)	0.18	1.36	-42.15	3	5	1	74	241.34	3	↓ MOL2 SDF SMILES Flexibase

69721842

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,6R)-2-(aminomethyl)-6-methyl-1-piperidyl]-(1,2,5-thiadiazol-3-yl)methanone [(2R,6R)-2-(aminomethyl)-6-methy…

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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	1.33	-41.21	3	5	1	74	241.34	2	↓ MOL2 SDF SMILES Flexibase

69721844

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,6S)-2-(aminomethyl)-6-methyl-1-piperidyl]-(1,2,5-thiadiazol-3-yl)methanone [(2R,6S)-2-(aminomethyl)-6-methy…

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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	1.23	-42.46	3	5	1	74	241.34	2	↓ MOL2 SDF SMILES Flexibase

69721847

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,6R)-2-(aminomethyl)-6-methyl-1-piperidyl]-(1,2,5-thiadiazol-3-yl)methanone [(2S,6R)-2-(aminomethyl)-6-methy…

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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	1.25	-42.35	3	5	1	74	241.34	2	↓ MOL2 SDF SMILES Flexibase

69721850

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,6S)-2-(aminomethyl)-6-methyl-1-piperidyl]-(1,2,5-thiadiazol-3-yl)methanone [(2S,6S)-2-(aminomethyl)-6-methy…

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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	0.13	-45.13	3	5	1	74	241.34	2	↓ MOL2 SDF SMILES Flexibase

69724056

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-3-(2-aminoethyl)-1-piperidyl]-(1,2,5-thiadiazol-3-yl)methanone [(3R)-3-(2-aminoethyl)-1-piperid…

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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)	0.06	1.38	-45.48	3	5	1	74	241.34	3	↓ MOL2 SDF SMILES Flexibase

69724060

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-(2-aminoethyl)-1-piperidyl]-(1,2,5-thiadiazol-3-yl)methanone [(3S)-3-(2-aminoethyl)-1-piperid…

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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)	0.06	1.42	-49.6	3	5	1	74	241.34	3	↓ MOL2 SDF SMILES Flexibase

69724832

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-3-[(1S)-1-aminoethyl]-1-piperidyl]-(1,2,5-thiadiazol-3-yl)methanone [(3R)-3-[(1S)-1-aminoethyl]-1-pi…

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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)	0.19	1.41	-47.67	3	5	1	74	241.34	2	↓ MOL2 SDF SMILES Flexibase

69724836

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-3-[(1R)-1-aminoethyl]-1-piperidyl]-(1,2,5-thiadiazol-3-yl)methanone [(3R)-3-[(1R)-1-aminoethyl]-1-pi…

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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)	0.19	1.32	-47.41	3	5	1	74	241.34	2	↓ MOL2 SDF SMILES Flexibase

69724838

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-[(1S)-1-aminoethyl]-1-piperidyl]-(1,2,5-thiadiazol-3-yl)methanone [(3S)-3-[(1S)-1-aminoethyl]-1-pi…

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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)	0.19	1.3	-47.25	3	5	1	74	241.34	2	↓ MOL2 SDF SMILES Flexibase

69724841

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-[(1R)-1-aminoethyl]-1-piperidyl]-(1,2,5-thiadiazol-3-yl)methanone [(3S)-3-[(1R)-1-aminoethyl]-1-pi…

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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)	0.19	1.39	-47.54	3	5	1	74	241.34	2	↓ MOL2 SDF SMILES Flexibase

69726489

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,3R)-2-(aminomethyl)-3-methyl-1-piperidyl]-(1,2,5-thiadiazol-3-yl)methanone [(2S,3R)-2-(aminomethyl)-3-methy…

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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)	0.15	1.41	-42.65	3	5	1	74	241.34	2	↓ MOL2 SDF SMILES Flexibase

69726490

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,3S)-2-(aminomethyl)-3-methyl-1-piperidyl]-(1,2,5-thiadiazol-3-yl)methanone [(2S,3S)-2-(aminomethyl)-3-methy…

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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)	0.15	1.46	-34.43	3	5	1	74	241.34	2	↓ MOL2 SDF SMILES Flexibase

69726492

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,3R)-2-(aminomethyl)-3-methyl-1-piperidyl]-(1,2,5-thiadiazol-3-yl)methanone [(2R,3R)-2-(aminomethyl)-3-methy…

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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)	0.15	1.69	-35.31	3	5	1	74	241.34	2	↓ MOL2 SDF SMILES Flexibase

69726500

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,3S)-2-(aminomethyl)-3-methyl-1-piperidyl]-(1,2,5-thiadiazol-3-yl)methanone [(2R,3S)-2-(aminomethyl)-3-methy…

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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)	0.15	1.38	-42.54	3	5	1	74	241.34	2	↓ MOL2 SDF SMILES Flexibase

69728055

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,5R)-5-(aminomethyl)-2-methyl-1-piperidyl]-(1,2,5-thiadiazol-3-yl)methanone [(2R,5R)-5-(aminomethyl)-2-methy…

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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)	0.12	1.35	-50.1	3	5	1	74	241.34	2	↓ MOL2 SDF SMILES Flexibase

69728060

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,5R)-5-(aminomethyl)-2-methyl-1-piperidyl]-(1,2,5-thiadiazol-3-yl)methanone [(2S,5R)-5-(aminomethyl)-2-methy…

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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)	0.12	1.38	-48.85	3	5	1	74	241.34	2	↓ MOL2 SDF SMILES Flexibase

69728061

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,5S)-5-(aminomethyl)-2-methyl-1-piperidyl]-(1,2,5-thiadiazol-3-yl)methanone [(2R,5S)-5-(aminomethyl)-2-methy…

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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)	0.12	1.4	-48.7	3	5	1	74	241.34	2	↓ MOL2 SDF SMILES Flexibase

69728066

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,5S)-5-(aminomethyl)-2-methyl-1-piperidyl]-(1,2,5-thiadiazol-3-yl)methanone [(2S,5S)-5-(aminomethyl)-2-methy…

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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)	0.12	1.35	-50.29	3	5	1	74	241.34	2	↓ MOL2 SDF SMILES Flexibase

69729698

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(2-aminoethyl)-1-piperidyl]-(1,2,5-thiadiazol-3-yl)methanone [4-(2-aminoethyl)-1-piperidyl]-(…

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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	1.41	-49.45	3	5	1	74	241.34	3	↓ MOL2 SDF SMILES Flexibase

70189144

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[2-(methylamino)ethyl]-1-piperidyl]-(1,2,5-thiadiazol-3-yl)methanone [4-[2-(methylamino)ethyl]-1-pipe…

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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)	1.22	3.25	-44.08	2	5	1	63	255.367	4	↓ MOL2 SDF SMILES Flexibase

70191900

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-2-[2-(methylamino)ethyl]-1-piperidyl]-(1,2,5-thiadiazol-3-yl)methanone [(2S)-2-[2-(methylamino)ethyl]-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)	1.16	3.23	-37.37	2	5	1	63	255.367	4	↓ MOL2 SDF SMILES Flexibase

70191902

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-2-[2-(methylamino)ethyl]-1-piperidyl]-(1,2,5-thiadiazol-3-yl)methanone [(2R)-2-[2-(methylamino)ethyl]-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)	1.16	3.18	-37.31	2	5	1	63	255.367	4	↓ MOL2 SDF SMILES Flexibase

48936789

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-1-(1,2,5-thiadiazole-3-carbonyl)-3-piperidyl]methylurea [(3R)-1-(1,2,5-thiadiazole-3-car…

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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)	0.04	-0.98	-10.38	3	7	0	101	269.33	3	↓ MOL2 SDF SMILES Flexibase

48936793

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-1-(1,2,5-thiadiazole-3-carbonyl)-3-piperidyl]methylurea [(3S)-1-(1,2,5-thiadiazole-3-car…

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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)	0.04	-0.96	-11.12	3	7	0	101	269.33	3	↓ MOL2 SDF SMILES Flexibase

48953183

Analogs

53119959
44512591

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-(1,2,5-thiadiazole-3-carbonyl)-4-piperidyl]methyl]acetamide N-[[1-(1,2,5-thiadiazole-3-carbo…

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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)	0.13	1.86	-12.11	1	6	0	75	268.342	3	↓ MOL2 SDF SMILES Flexibase

49347678

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-isopropyl-N-methyl-1-(1,2,5-thiadiazole-3-carbonyl)piperidine-4-carboxamide N-isopropyl-N-methyl-1-(1,2,5-th…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.00	4.08	-11.33	0	6	0	66	296.396	3	↓ MOL2 SDF SMILES Flexibase

49519707

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-1-(1,2,5-thiadiazole-3-carbonyl)-3-piperidyl]urea [(3S)-1-(1,2,5-thiadiazole-3-car…

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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)	-0.34	-1.66	-15.09	3	7	0	101	255.303	2	↓ MOL2 SDF SMILES Flexibase

49519708

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-1-(1,2,5-thiadiazole-3-carbonyl)-3-piperidyl]urea [(3R)-1-(1,2,5-thiadiazole-3-car…

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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)	-0.34	-1.64	-12.42	3	7	0	101	255.303	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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