ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

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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Activity (Go SEA)

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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Activity (Go SEA)

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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Activity (Go SEA)

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…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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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Activity (Go SEA)

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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Activity (Go SEA)

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

20895563

Analogs

20895565
20895572
20895574

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[4-[2-(2,6-dimethylphenoxy)ethoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5R)-4-acetyl-5-[4-[2-(2,6-di…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.23	10.31	-18.54	1	7	0	80	427.526	7	↓ MOL2 SDF SMILES Flexibase

20895565

Analogs

20895572
20895574
20895563

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[4-[2-(2,6-dimethylphenoxy)ethoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5S)-4-acetyl-5-[4-[2-(2,6-di…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.23	10.25	-18	1	7	0	80	427.526	7	↓ MOL2 SDF SMILES Flexibase

20895568

Analogs

20895570
20895365
20895368
20895395
20895398

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[4-[2-(3,5-dimethylphenoxy)ethoxy]-3-methoxy-phenyl]-5H-1,3,4-thiadiazol-2-yl]ace N-[(5S)-4-acetyl-5-[4-[2-(3,5-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)	2.85	10.05	-21.16	1	8	0	89	457.552	8	↓ MOL2 SDF SMILES Flexibase

20895570

Analogs

20895365
20895368
20895395
20895398
20895568

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[4-[2-(3,5-dimethylphenoxy)ethoxy]-3-methoxy-phenyl]-5H-1,3,4-thiadiazol-2-yl]ace N-[(5R)-4-acetyl-5-[4-[2-(3,5-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)	2.85	10.03	-21.78	1	8	0	89	457.552	8	↓ MOL2 SDF SMILES Flexibase

20895572

Analogs

20895574
20895563
20895565

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[4-[2-(2,4-dimethylphenoxy)ethoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5R)-4-acetyl-5-[4-[2-(2,4-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	10.18	-19.04	1	7	0	80	427.526	7	↓ MOL2 SDF SMILES Flexibase

20895574

Analogs

20895563
20895565
20895572

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[4-[2-(2,4-dimethylphenoxy)ethoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5S)-4-acetyl-5-[4-[2-(2,4-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	10.11	-18.42	1	7	0	80	427.526	7	↓ MOL2 SDF SMILES Flexibase

20895576

Analogs

20895578

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[3-chloro-4-[2-(2,4-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	10.72	-19.99	1	8	0	89	491.997	8	↓ MOL2 SDF SMILES Flexibase

20895578

Analogs

20895576

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[3-chloro-4-[2-(2,4-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	10.72	-20.9	1	8	0	89	491.997	8	↓ MOL2 SDF SMILES Flexibase

20895581

Analogs

20895584
20895354
20895357

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5S)-4-acetyl-5-[4-[2-(4-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)	2.49	8.04	-21.11	1	8	0	89	429.498	8	↓ MOL2 SDF SMILES Flexibase

20895584

Analogs

20895354
20895357
20895581

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5R)-4-acetyl-5-[4-[2-(4-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)	2.49	8.13	-20.14	1	8	0	89	429.498	8	↓ MOL2 SDF SMILES Flexibase

20895586

Analogs

20895588

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[4-[2-(4-chloro-3-methyl-phenoxy)ethoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamid 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)	3.48	9.94	-18.77	1	7	0	80	447.944	7	↓ MOL2 SDF SMILES Flexibase

20895588

Analogs

20895586

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[4-[2-(4-chloro-3-methyl-phenoxy)ethoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamid 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)	3.48	9.88	-18.18	1	7	0	80	447.944	7	↓ MOL2 SDF SMILES Flexibase

20895591

Analogs

20895593

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[4-[2-(2-chlorophenoxy)ethoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5R)-4-acetyl-5-[4-[2-(2-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)	3.06	9.38	-20.65	1	7	0	80	433.917	7	↓ MOL2 SDF SMILES Flexibase

20895593

Analogs

20895591

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[4-[2-(2-chlorophenoxy)ethoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5S)-4-acetyl-5-[4-[2-(2-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)	3.06	9.3	-21.67	1	7	0	80	433.917	7	↓ MOL2 SDF SMILES Flexibase

20895880

Analogs

20895883
20895900
20895903

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[3-chloro-4-(2-phenoxyethoxy)phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide 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)	3.04	9.3	-20.95	1	7	0	80	433.917	7	↓ MOL2 SDF SMILES Flexibase

20895883

Analogs

20895900
20895903
20895880

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[3-chloro-4-(2-phenoxyethoxy)phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide 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)	3.04	9.34	-21.34	1	7	0	80	433.917	7	↓ MOL2 SDF SMILES Flexibase

20895887

Analogs

20895891
20895964
20895967
20895974
20895977

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[3-chloro-4-[2-(2-methylphenoxy)ethoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide 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)	3.44	10.01	-18.97	1	7	0	80	447.944	7	↓ MOL2 SDF SMILES Flexibase

20895891

Analogs

20895964
20895967
20895974
20895977
20895887

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[3-chloro-4-[2-(2-methylphenoxy)ethoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide 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)	3.44	10.04	-21.34	1	7	0	80	447.944	7	↓ MOL2 SDF SMILES Flexibase

20895894

Analogs

20895897

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[3-bromo-4-[2-(3-methylphenoxy)ethoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5R)-4-acetyl-5-[3-bromo-4-[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)	3.59	10.07	-19.16	1	7	0	80	492.395	7	↓ MOL2 SDF SMILES Flexibase

20895897

Analogs

20895894

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[3-bromo-4-[2-(3-methylphenoxy)ethoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5S)-4-acetyl-5-[3-bromo-4-[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)	3.59	10.1	-21.48	1	7	0	80	492.395	7	↓ MOL2 SDF SMILES Flexibase

20895900

Analogs

20895903
20895880
20895883

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[3-chloro-4-[2-(4-methylphenoxy)ethoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide 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)	3.48	9.96	-19.11	1	7	0	80	447.944	7	↓ MOL2 SDF SMILES Flexibase

20895903

Analogs

20895880
20895883
20895900

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[3-chloro-4-[2-(4-methylphenoxy)ethoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide 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)	3.48	9.99	-21.46	1	7	0	80	447.944	7	↓ MOL2 SDF SMILES Flexibase

20895905

Analogs

20895908

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[3-bromo-4-[2-(4-methylphenoxy)ethoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5R)-4-acetyl-5-[3-bromo-4-[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)	3.62	10.07	-19.01	1	7	0	80	492.395	7	↓ MOL2 SDF SMILES Flexibase

20895908

Analogs

20895905

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[3-bromo-4-[2-(4-methylphenoxy)ethoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5S)-4-acetyl-5-[3-bromo-4-[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)	3.62	10.1	-21.31	1	7	0	80	492.395	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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