ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

20895552

Analogs

20895554
20895801
20895804

Draw Identity 99% 90% 80% 70%

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

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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	10.15	-19.18	1	8	0	97	447.9	6	↓ MOL2 SDF SMILES Flexibase

20895554

Analogs

20895801
20895804
20895552

Draw Identity 99% 90% 80% 70%

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

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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	10.13	-20.72	1	8	0	97	447.9	6	↓ MOL2 SDF SMILES Flexibase

20895720

Analogs

20895722

Draw Identity 99% 90% 80% 70%

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

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)	2.98	10.57	-20.22	1	7	0	88	397.456	5	↓ MOL2 SDF SMILES Flexibase

20895722

Analogs

20895720

Draw Identity 99% 90% 80% 70%

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

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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)	2.98	10.51	-18.68	1	7	0	88	397.456	5	↓ MOL2 SDF SMILES Flexibase

20895725

Analogs

20895727

Draw Identity 99% 90% 80% 70%

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

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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	10.56	-19.92	1	7	0	88	397.456	5	↓ MOL2 SDF SMILES Flexibase

20895727

Analogs

20895725

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

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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	10.51	-18.46	1	7	0	88	397.456	5	↓ MOL2 SDF SMILES Flexibase

20895730

Analogs

20895733

Draw Identity 99% 90% 80% 70%

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

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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)	3.24	10.44	-18.31	1	7	0	88	417.874	5	↓ MOL2 SDF SMILES Flexibase

20895733

Analogs

20895730

Draw Identity 99% 90% 80% 70%

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

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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)	3.24	10.39	-17.08	1	7	0	88	417.874	5	↓ MOL2 SDF SMILES Flexibase

20895739

Analogs

20895742

Draw Identity 99% 90% 80% 70%

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

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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)	2.21	9.12	-20.61	1	9	0	107	443.481	7	↓ MOL2 SDF SMILES Flexibase

20895742

Analogs

20895739

Draw Identity 99% 90% 80% 70%

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

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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)	2.21	9.18	-21.1	1	9	0	107	443.481	7	↓ MOL2 SDF SMILES Flexibase

20895745

Analogs

20895747
20895770
20895774
20895783
20895785

Draw Identity 99% 90% 80% 70%

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

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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)	2.15	9.63	-21.24	1	8	0	97	413.455	6	↓ MOL2 SDF SMILES Flexibase

20895747

Analogs

20895770
20895774
20895783
20895785
20895745

Draw Identity 99% 90% 80% 70%

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

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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)	2.15	9.61	-22.87	1	8	0	97	413.455	6	↓ MOL2 SDF SMILES Flexibase

20895749

Analogs

20895751
20895777
20895780

Draw Identity 99% 90% 80% 70%

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

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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)	2.57	10.27	-21.23	1	8	0	97	427.482	6	↓ MOL2 SDF SMILES Flexibase

20895751

Analogs

20895777
20895780
20895749

Draw Identity 99% 90% 80% 70%

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

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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)	2.57	10.25	-22.98	1	8	0	97	427.482	6	↓ MOL2 SDF SMILES Flexibase

20895760

Analogs

20895762

Draw Identity 99% 90% 80% 70%

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

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)	2.44	10.03	-21.98	1	8	0	97	447.9	6	↓ MOL2 SDF SMILES Flexibase

20895762

Analogs

20895760

Draw Identity 99% 90% 80% 70%

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

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)	2.44	10.01	-23.97	1	8	0	97	447.9	6	↓ MOL2 SDF SMILES Flexibase

20895764

Analogs

20895767

Draw Identity 99% 90% 80% 70%

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

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)	1.93	9.67	-23.98	1	8	0	97	431.445	6	↓ MOL2 SDF SMILES Flexibase

20895767

Analogs

20895764

Draw Identity 99% 90% 80% 70%

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

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)	1.93	9.65	-26.36	1	8	0	97	431.445	6	↓ MOL2 SDF SMILES Flexibase

20895770

Analogs

20895774
20895783
20895785
20895745
20895747

Draw Identity 99% 90% 80% 70%

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

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)	2.53	10.51	-21.14	1	8	0	97	427.482	7	↓ MOL2 SDF SMILES Flexibase

20895774

Analogs

20895783
20895785
20895745
20895747
20895770

Draw Identity 99% 90% 80% 70%

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

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)	2.53	10.53	-22.87	1	8	0	97	427.482	7	↓ MOL2 SDF SMILES Flexibase

20895777

Analogs

20895780
20895749
20895751

Draw Identity 99% 90% 80% 70%

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

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)	2.95	11.17	-21.19	1	8	0	97	441.509	7	↓ MOL2 SDF SMILES Flexibase

20895780

Analogs

20895749
20895751
20895777

Draw Identity 99% 90% 80% 70%

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

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)	2.95	11.17	-22.92	1	8	0	97	441.509	7	↓ MOL2 SDF SMILES Flexibase

20895783

Analogs

20895785
20895745
20895747
20895770
20895774

Draw Identity 99% 90% 80% 70%

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

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)	2.97	11.17	-20.86	1	8	0	97	441.509	7	↓ MOL2 SDF SMILES Flexibase

20895785

Analogs

20895745
20895747
20895770
20895774

Draw Identity 99% 90% 80% 70%

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

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)	2.97	11.19	-22.64	1	8	0	97	441.509	7	↓ MOL2 SDF SMILES Flexibase

20895788

Analogs

20895791

Draw Identity 99% 90% 80% 70%

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

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)	4.23	12.84	-20.13	1	8	0	97	483.59	8	↓ MOL2 SDF SMILES Flexibase

20895791

Analogs

20895788

Draw Identity 99% 90% 80% 70%

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

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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)	4.23	12.86	-21.83	1	8	0	97	483.59	8	↓ MOL2 SDF SMILES Flexibase

20895795

Analogs

20895798
15832894
15832897

Draw Identity 99% 90% 80% 70%

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

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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)	2.56	9.82	-22.56	1	9	0	107	457.508	8	↓ MOL2 SDF SMILES Flexibase

20895798

Analogs

20895795
15832894
15832897

Draw Identity 99% 90% 80% 70%

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

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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)	2.56	9.82	-24.75	1	9	0	107	457.508	8	↓ MOL2 SDF SMILES Flexibase

20895801

Analogs

20895804
20895552
20895554

Draw Identity 99% 90% 80% 70%

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

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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)	3.20	11.03	-19.13	1	8	0	97	461.927	7	↓ MOL2 SDF SMILES Flexibase

20895804

Analogs

20895552
20895554
20895801

Draw Identity 99% 90% 80% 70%

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

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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)	3.20	11.05	-20.67	1	8	0	97	461.927	7	↓ MOL2 SDF SMILES Flexibase

20895813

Analogs

20895816

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(2S)-5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl]-2-chloro-6-methoxy-phenyl] [4-[(2S)-5-acetamido-3-acetyl-2H…

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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)	2.99	9.42	-23.01	1	9	0	107	477.926	7	↓ MOL2 SDF SMILES Flexibase

20895816

Analogs

20895813

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(2R)-5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl]-2-chloro-6-methoxy-phenyl] [4-[(2R)-5-acetamido-3-acetyl-2H…

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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)	2.99	9.42	-25.11	1	9	0	107	477.926	7	↓ MOL2 SDF SMILES Flexibase

20895819

Analogs

20895822

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(2S)-5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl]-2-chloro-6-methoxy-phenyl] [4-[(2S)-5-acetamido-3-acetyl-2H…

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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)	3.12	10.17	-19.85	1	8	0	97	465.89	6	↓ MOL2 SDF SMILES Flexibase

20895822

Analogs

20895819

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(2R)-5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl]-2-chloro-6-methoxy-phenyl] [4-[(2R)-5-acetamido-3-acetyl-2H…

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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)	3.12	10.17	-21.25	1	8	0	97	465.89	6	↓ MOL2 SDF SMILES Flexibase

20895831

Analogs

20895834

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(2S)-5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl]-2-bromo-6-methoxy-phenyl] [4-[(2S)-5-acetamido-3-acetyl-2H…

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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)	3.08	10.22	-23.25	1	8	0	97	492.351	6	↓ MOL2 SDF SMILES Flexibase

20895834

Analogs

20895831

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(2R)-5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl]-2-bromo-6-methoxy-phenyl] [4-[(2R)-5-acetamido-3-acetyl-2H…

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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)	3.08	10.22	-23.27	1	8	0	97	492.351	6	↓ MOL2 SDF SMILES Flexibase

20895843

Analogs

20895846
20895848
20895850

Draw Identity 99% 90% 80% 70%

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

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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)	3.61	10.99	-19.85	1	7	0	88	431.901	5	↓ MOL2 SDF SMILES Flexibase

20895846

Analogs

20895848
20895850
20895843

Draw Identity 99% 90% 80% 70%

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

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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)	3.61	11.03	-21.33	1	7	0	88	431.901	5	↓ MOL2 SDF SMILES Flexibase

20895848

Analogs

20895850
20895843
20895846

Draw Identity 99% 90% 80% 70%

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

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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)	3.22	9.73	-21.64	1	8	0	97	447.9	6	↓ MOL2 SDF SMILES Flexibase

20895850

Analogs

20895843
20895846
20895848

Draw Identity 99% 90% 80% 70%

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

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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)	3.22	9.68	-20.12	1	8	0	97	447.9	6	↓ MOL2 SDF SMILES Flexibase

20895852

Analogs

20895854

Draw Identity 99% 90% 80% 70%

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

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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)	3.33	10.42	-18.59	1	7	0	88	435.864	5	↓ MOL2 SDF SMILES Flexibase

20895854

Analogs

20895852

Draw Identity 99% 90% 80% 70%

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

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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)	3.33	10.46	-19.87	1	7	0	88	435.864	5	↓ MOL2 SDF SMILES Flexibase

20895856

Analogs

20895859

Draw Identity 99% 90% 80% 70%

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

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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)	3.30	10.47	-19.59	1	7	0	88	462.325	5	↓ MOL2 SDF SMILES Flexibase

20895859

Analogs

20895856

Draw Identity 99% 90% 80% 70%

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

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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)	3.30	10.49	-21.32	1	7	0	88	462.325	5	↓ MOL2 SDF SMILES Flexibase

20895862

Analogs

20895865

Draw Identity 99% 90% 80% 70%

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

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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)	3.46	10.51	-18.5	1	7	0	88	480.315	5	↓ MOL2 SDF SMILES Flexibase

20895865

Analogs

20895862

Draw Identity 99% 90% 80% 70%

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

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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)	3.46	10.56	-19.71	1	7	0	88	480.315	5	↓ MOL2 SDF SMILES Flexibase

20895874

Analogs

20895876

Draw Identity 99% 90% 80% 70%

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

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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	10.5	-23	1	7	0	88	480.315	5	↓ MOL2 SDF SMILES Flexibase

20895876

Analogs

20895874

Draw Identity 99% 90% 80% 70%

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

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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	10.52	-24.77	1	7	0	88	480.315	5	↓ 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

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