ZINC 12

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Quick Search ZINC ID or SMILES

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ZINC Item

Suppliers, Protomers, & Similar Substances

9422381

Analogs

8990530
8990531

Draw Identity 99% 90% 80% 70%

Popular Name: N-[acetyl-ethyl-oxo-(3-pyridylmethyl)BLAHyl]acetamide N-[acetyl-ethyl-oxo-(3-pyridylme…

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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)	1.05	-0.77	-23.43	1	8	0	94	423.498	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.05	-0.66	-43.23	2	8	1	96	424.506	4	↓ MOL2 SDF SMILES Flexibase

9422382

Analogs

8990530
8990531

Draw Identity 99% 90% 80% 70%

Popular Name: N-[acetyl-ethyl-oxo-(3-pyridylmethyl)BLAHyl]acetamide N-[acetyl-ethyl-oxo-(3-pyridylme…

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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)	1.05	-0.85	-20.66	1	8	0	94	423.498	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.05	-0.74	-47.14	2	8	1	96	424.506	4	↓ MOL2 SDF SMILES Flexibase

20895354

Analogs

20895357
20895581
20895584

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[4-(2-phenoxyethoxy)phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5R)-4-acetyl-5-[4-(2-phenoxy…

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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)	2.43	8.82	-19.1	1	7	0	80	399.472	7	↓ MOL2 SDF SMILES Flexibase

20895357

Analogs

20895581
20895584
20895354

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[4-(2-phenoxyethoxy)phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5S)-4-acetyl-5-[4-(2-phenoxy…

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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)	2.43	8.74	-20.08	1	7	0	80	399.472	7	↓ MOL2 SDF SMILES Flexibase

20895360

Analogs

20895362
20895376
20895379
20895401
20895404

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[3-chloro-5-methoxy-4-(2-phenoxyethoxy)phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5S)-4-acetyl-5-[3-chloro-5-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)	2.82	9.41	-19.99	1	8	0	89	463.943	8	↓ MOL2 SDF SMILES Flexibase

20895362

Analogs

20895376
20895379
20895401
20895404
20895360

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[3-chloro-5-methoxy-4-(2-phenoxyethoxy)phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5R)-4-acetyl-5-[3-chloro-5-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)	2.82	9.37	-19.51	1	8	0	89	463.943	8	↓ MOL2 SDF SMILES Flexibase

20895365

Analogs

20895368
20895395
20895398
20895568
20895570

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[3-methoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamid N-[(5S)-4-acetyl-5-[3-methoxy-4-…

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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)	2.47	9.4	-20.89	1	8	0	89	443.525	8	↓ MOL2 SDF SMILES Flexibase

20895368

Analogs

20895395
20895398
20895568
20895570
20895365

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[3-methoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamid N-[(5R)-4-acetyl-5-[3-methoxy-4-…

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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)	2.47	9.38	-21.43	1	8	0	89	443.525	8	↓ MOL2 SDF SMILES Flexibase

20895370

Analogs

20895373
20895389
20895392

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[4-[2-(3,4-dimethylphenoxy)ethoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5R)-4-acetyl-5-[4-[2-(3,4-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)	3.26	10.14	-19.48	1	7	0	80	427.526	7	↓ MOL2 SDF SMILES Flexibase

20895373

Analogs

20895389
20895392
20895370

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[4-[2-(3,4-dimethylphenoxy)ethoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5S)-4-acetyl-5-[4-[2-(3,4-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)	3.26	10.07	-18.81	1	7	0	80	427.526	7	↓ MOL2 SDF SMILES Flexibase

20895376

Analogs

20895379
20895401
20895404
20895360
20895362

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[3-chloro-4-[2-(3,4-dimethylphenoxy)ethoxy]-5-methoxy-phenyl]-5H-1,3,4-thiadiazol N-[(5S)-4-acetyl-5-[3-chloro-4-[…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.65	10.69	-20.52	1	8	0	89	491.997	8	↓ MOL2 SDF SMILES Flexibase

20895379

Analogs

20895401
20895404
20895360
20895362
20895376

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[3-chloro-4-[2-(3,4-dimethylphenoxy)ethoxy]-5-methoxy-phenyl]-5H-1,3,4-thiadiazol N-[(5R)-4-acetyl-5-[3-chloro-4-[…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.65	10.69	-21.39	1	8	0	89	491.997	8	↓ MOL2 SDF SMILES Flexibase

20895383

Analogs

20895386

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[4-[2-(2-isopropyl-5-methyl-phenoxy)ethoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]aceta N-[(5S)-4-acetyl-5-[4-[2-(2-isop…

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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)	3.85	11.44	-18.33	1	7	0	80	455.58	8	↓ MOL2 SDF SMILES Flexibase

20895386

Analogs

20895383

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[4-[2-(2-isopropyl-5-methyl-phenoxy)ethoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]aceta N-[(5R)-4-acetyl-5-[4-[2-(2-isop…

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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)	3.85	11.5	-18.89	1	7	0	80	455.58	8	↓ MOL2 SDF SMILES Flexibase

20895389

Analogs

20895392
20895370
20895373

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[4-[2-(3-methylphenoxy)ethoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5R)-4-acetyl-5-[4-[2-(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)	2.85	9.46	-19.32	1	7	0	80	413.499	7	↓ MOL2 SDF SMILES Flexibase

20895392

Analogs

20895370
20895373
20895389

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[4-[2-(3-methylphenoxy)ethoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5S)-4-acetyl-5-[4-[2-(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)	2.85	9.4	-18.68	1	7	0	80	413.499	7	↓ MOL2 SDF SMILES Flexibase

20895395

Analogs

20895398
20895568
20895570
20895365
20895368

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[3-methoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamid N-[(5S)-4-acetyl-5-[3-methoxy-4-…

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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)	2.44	9.4	-21.01	1	8	0	89	443.525	8	↓ MOL2 SDF SMILES Flexibase

20895398

Analogs

20895568
20895570
20895365
20895368
20895395

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[3-methoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamid N-[(5R)-4-acetyl-5-[3-methoxy-4-…

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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)	2.44	9.38	-21.74	1	8	0	89	443.525	8	↓ MOL2 SDF SMILES Flexibase

20895401

Analogs

20895404
20895360
20895362
20895376
20895379

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[3-chloro-5-methoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl N-[(5S)-4-acetyl-5-[3-chloro-5-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)	3.25	10.01	-20.34	1	8	0	89	477.97	8	↓ MOL2 SDF SMILES Flexibase

20895404

Analogs

20895360
20895362
20895376
20895379
20895401

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[3-chloro-5-methoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl N-[(5R)-4-acetyl-5-[3-chloro-5-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)	3.25	10.01	-21.3	1	8	0	89	477.97	8	↓ MOL2 SDF SMILES Flexibase

20895407

Analogs

20895410

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[4-[2-(2-methylphenoxy)ethoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5R)-4-acetyl-5-[4-[2-(2-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)	2.83	9.52	-18.99	1	7	0	80	413.499	7	↓ MOL2 SDF SMILES Flexibase

20895410

Analogs

20895407

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[4-[2-(2-methylphenoxy)ethoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5S)-4-acetyl-5-[4-[2-(2-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)	2.83	9.45	-18.51	1	7	0	80	413.499	7	↓ MOL2 SDF SMILES Flexibase

20895413

Analogs

20895416

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[3-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamid N-[(5S)-4-acetyl-5-[3-methoxy-4-…

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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)	2.42	9.45	-20.8	1	8	0	89	443.525	8	↓ MOL2 SDF SMILES Flexibase

20895416

Analogs

20895413

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[3-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamid N-[(5R)-4-acetyl-5-[3-methoxy-4-…

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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)	2.42	9.42	-21.36	1	8	0	89	443.525	8	↓ MOL2 SDF SMILES Flexibase

20895418

Analogs

20895421

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[4-[2-(4-tert-butylphenoxy)ethoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5R)-4-acetyl-5-[4-[2-(4-tert…

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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)	4.14	11.15	-18.63	1	7	0	80	455.58	8	↓ MOL2 SDF SMILES Flexibase

20895421

Analogs

20895418

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[4-[2-(4-tert-butylphenoxy)ethoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5S)-4-acetyl-5-[4-[2-(4-tert…

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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)	4.14	11.07	-19.6	1	7	0	80	455.58	8	↓ MOL2 SDF SMILES Flexibase

20895424

Analogs

20895427

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[4-[2-(3-ethyl-5-methyl-phenoxy)ethoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5S)-4-acetyl-5-[4-[2-(3-ethy…

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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)	3.72	10.82	-18.58	1	7	0	80	441.553	8	↓ MOL2 SDF SMILES Flexibase

20895427

Analogs

20895424

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[4-[2-(3-ethyl-5-methyl-phenoxy)ethoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5R)-4-acetyl-5-[4-[2-(3-ethy…

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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)	3.72	10.88	-19.28	1	7	0	80	441.553	8	↓ MOL2 SDF SMILES Flexibase

20895430

Analogs

20895433

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[3-methoxy-4-[2-(p-tolylsulfanyl)ethoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamid N-[(5S)-4-acetyl-5-[3-methoxy-4-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.85	10.81	-18.41	1	7	0	80	459.593	8	↓ MOL2 SDF SMILES Flexibase

20895433

Analogs

20895430

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[3-methoxy-4-[2-(p-tolylsulfanyl)ethoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamid N-[(5R)-4-acetyl-5-[3-methoxy-4-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.85	10.79	-18.42	1	7	0	80	459.593	8	↓ MOL2 SDF SMILES Flexibase

20895435

Analogs

20895437

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Popular Name: N-[(5S)-4-acetyl-5-[4-[2-(4-chlorophenyl)sulfanylethoxy]-3-methoxy-phenyl]-5H-1,3,4-thiadiazol-2-yl] N-[(5S)-4-acetyl-5-[4-[2-(4-chlo…

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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)	3.07	10.69	-17.75	1	7	0	80	480.011	8	↓ MOL2 SDF SMILES Flexibase

20895437

Analogs

20895435

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Popular Name: N-[(5R)-4-acetyl-5-[4-[2-(4-chlorophenyl)sulfanylethoxy]-3-methoxy-phenyl]-5H-1,3,4-thiadiazol-2-yl] N-[(5R)-4-acetyl-5-[4-[2-(4-chlo…

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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)	3.07	10.67	-17.73	1	7	0	80	480.011	8	↓ MOL2 SDF SMILES Flexibase

20895440

Analogs

20895443

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Popular Name: N-[(5R)-4-acetyl-5-[5-(p-tolylsulfanyl)-2-furyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5R)-4-acetyl-5-[5-(p-tolylsu…

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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)	2.65	8.62	-18.35	1	6	0	75	375.475	4	↓ MOL2 SDF SMILES Flexibase

20895443

Analogs

20895440

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[5-(p-tolylsulfanyl)-2-furyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5S)-4-acetyl-5-[5-(p-tolylsu…

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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)	2.65	8.62	-18.24	1	6	0	75	375.475	4	↓ MOL2 SDF SMILES Flexibase

20895445

Analogs

20895447

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Popular Name: N-[(5R)-4-acetyl-5-[5-(4-chlorophenyl)sulfanyl-2-furyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5R)-4-acetyl-5-[5-(4-chlorop…

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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)	2.88	8.5	-16.92	1	6	0	75	395.893	4	↓ MOL2 SDF SMILES Flexibase

20895447

Analogs

20895445

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[5-(4-chlorophenyl)sulfanyl-2-furyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5S)-4-acetyl-5-[5-(4-chlorop…

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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)	2.88	8.5	-16.89	1	6	0	75	395.893	4	↓ MOL2 SDF SMILES Flexibase

20895449

Analogs

20895452

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Popular Name: 4-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)phenyl benzenesulfonate 4-(5-acetamido-3-acetyl-2,3-dihy…

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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)	1.66	6.69	-22.11	1	8	0	105	419.484	5	↓ MOL2 SDF SMILES Flexibase

20895452

Analogs

20895449

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)phenyl benzenesulfonate 4-(5-acetamido-3-acetyl-2,3-dihy…

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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)	1.66	6.63	-20.82	1	8	0	105	419.484	5	↓ MOL2 SDF SMILES Flexibase

20895455

Analogs

20895458

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[5-(3-chlorophenyl)-2-furyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5R)-4-acetyl-5-[5-(3-chlorop…

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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)	2.52	7.91	-17.26	1	6	0	75	363.826	3	↓ MOL2 SDF SMILES Flexibase

20895458

Analogs

20895455

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[5-(3-chlorophenyl)-2-furyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5S)-4-acetyl-5-[5-(3-chlorop…

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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)	2.52	7.9	-17.27	1	6	0	75	363.826	3	↓ MOL2 SDF SMILES Flexibase

20895462

Analogs

20895465

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[5-(2-chlorophenyl)-2-furyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5R)-4-acetyl-5-[5-(2-chlorop…

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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)	2.50	7.83	-18.14	1	6	0	75	363.826	3	↓ MOL2 SDF SMILES Flexibase

20895465

Analogs

20895462

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[5-(2-chlorophenyl)-2-furyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5S)-4-acetyl-5-[5-(2-chlorop…

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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)	2.50	7.83	-18.94	1	6	0	75	363.826	3	↓ MOL2 SDF SMILES Flexibase

20895467

Analogs

20895470

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Popular Name: 3-[5-[(2R)-5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl]-2-furyl]benzoic 3-[5-[(2R)-5-acetamido-3-acetyl-…

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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)	1.75	7.01	-72.63	1	8	-1	115	372.382	4	↓ MOL2 SDF SMILES Flexibase

20895470

Analogs

20895467

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Popular Name: 3-[5-[(2S)-5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl]-2-furyl]benzoic 3-[5-[(2S)-5-acetamido-3-acetyl-…

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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)	1.75	7.02	-72.6	1	8	-1	115	372.382	4	↓ MOL2 SDF SMILES Flexibase

20895473

Analogs

20895476

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Popular Name: N-[(5R)-4-acetyl-5-[5-(4-nitrophenyl)-2-furyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5R)-4-acetyl-5-[5-(4-nitroph…

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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	8.06	-20	1	9	0	121	374.378	4	↓ MOL2 SDF SMILES Flexibase

20895476

Analogs

20895473

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[5-(4-nitrophenyl)-2-furyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5S)-4-acetyl-5-[5-(4-nitroph…

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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	8.06	-20.01	1	9	0	121	374.378	4	↓ MOL2 SDF SMILES Flexibase

20895479

Analogs

20895482

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Popular Name: N-[(5S)-4-acetyl-5-[4-[(4-bromophenyl)methoxy]-3-methoxy-phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5S)-4-acetyl-5-[4-[(4-bromop…

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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)	2.74	9.57	-18.03	1	7	0	80	478.368	6	↓ MOL2 SDF SMILES Flexibase

20895482

Analogs

20895479

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[4-[(4-bromophenyl)methoxy]-3-methoxy-phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5R)-4-acetyl-5-[4-[(4-bromop…

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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)	2.74	9.54	-18.03	1	7	0	80	478.368	6	↓ MOL2 SDF SMILES Flexibase

20895485

Analogs

20895487
20895619
20895621
2601850
2601851

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Popular Name: N-[(5S)-4-acetyl-5-(4-benzyloxy-3-ethoxy-phenyl)-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5S)-4-acetyl-5-(4-benzyloxy-…

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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)	2.31	9.82	-18.55	1	7	0	80	413.499	7	↓ MOL2 SDF SMILES Flexibase

20895487

Analogs

20895619
20895621
2601850
2601851

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-(4-benzyloxy-3-ethoxy-phenyl)-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5R)-4-acetyl-5-(4-benzyloxy-…

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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)	2.31	9.83	-18.5	1	7	0	80	413.499	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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SQL Query Was

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