ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

20895479

Analogs

20895482

Draw Identity 99% 90% 80% 70%

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

Draw Identity 99% 90% 80% 70%

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

20895490

Analogs

20895493
15832867
15832869

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-(4-benzyloxy-3-chloro-5-methoxy-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)	2.74	9.56	-18.51	1	7	0	80	433.917	6	↓ MOL2 SDF SMILES Flexibase

20895493

Analogs

20895490
15832867
15832869

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-(4-benzyloxy-3-chloro-5-methoxy-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)	2.74	9.56	-18.02	1	7	0	80	433.917	6	↓ MOL2 SDF SMILES Flexibase

20895496

Analogs

20895499
20895630
20895632
20895634
20895636

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-(4-benzyloxy-3-bromo-5-methoxy-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)	2.87	9.68	-18.31	1	7	0	80	478.368	6	↓ MOL2 SDF SMILES Flexibase

20895499

Analogs

20895630
20895632
20895634
20895636
20895496

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-(4-benzyloxy-3-bromo-5-methoxy-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)	2.87	9.67	-17.87	1	7	0	80	478.368	6	↓ MOL2 SDF SMILES Flexibase

20895502

Analogs

20895504

Draw Identity 99% 90% 80% 70%

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

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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)	2.46	9.19	-16.74	1	6	0	71	387.436	5	↓ MOL2 SDF SMILES Flexibase

20895504

Analogs

20895502

Draw Identity 99% 90% 80% 70%

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

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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)	2.46	9.13	-16.88	1	6	0	71	387.436	5	↓ MOL2 SDF SMILES Flexibase

20895507

Analogs

20895510
20895513
20895515

Draw Identity 99% 90% 80% 70%

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

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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)	2.05	9.07	-18.22	1	7	0	80	417.462	6	↓ MOL2 SDF SMILES Flexibase

20895510

Analogs

20895513
20895515
20895507

Draw Identity 99% 90% 80% 70%

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

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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)	2.05	9.03	-18.32	1	7	0	80	417.462	6	↓ MOL2 SDF SMILES Flexibase

20895513

Analogs

20895515
20895507
20895510

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5S)-4-acetyl-5-[3-ethoxy-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	9.93	-18.21	1	7	0	80	431.489	7	↓ MOL2 SDF SMILES Flexibase

20895515

Analogs

20895507
20895510
20895513

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5R)-4-acetyl-5-[3-ethoxy-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	9.93	-18.22	1	7	0	80	431.489	7	↓ MOL2 SDF SMILES Flexibase

20895518

Analogs

20895521

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxy-phenyl]-5H-1,3,4-thiadiazol-2-yl] 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)	2.85	9.69	-18.56	1	7	0	80	451.907	6	↓ MOL2 SDF SMILES Flexibase

20895521

Analogs

20895518

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxy-phenyl]-5H-1,3,4-thiadiazol-2-yl] 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)	2.85	9.69	-18.46	1	7	0	80	451.907	6	↓ MOL2 SDF SMILES Flexibase

20895524

Analogs

20895527

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxy-phenyl]-5H-1,3,4-thiadiazol-2-yl]a N-[(5S)-4-acetyl-5-[3-bromo-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)	2.98	9.81	-18.52	1	7	0	80	496.358	6	↓ MOL2 SDF SMILES Flexibase

20895527

Analogs

20895524

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxy-phenyl]-5H-1,3,4-thiadiazol-2-yl]a N-[(5R)-4-acetyl-5-[3-bromo-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)	2.98	9.81	-18.3	1	7	0	80	496.358	6	↓ MOL2 SDF SMILES Flexibase

20895529

Analogs

20895532

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxy-phenyl]-5H-1,3,4-thiadiazol-2-yl]a N-[(5S)-4-acetyl-5-[3-bromo-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)	3.03	9.75	-17.46	1	7	0	80	496.358	6	↓ MOL2 SDF SMILES Flexibase

20895532

Analogs

20895529

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxy-phenyl]-5H-1,3,4-thiadiazol-2-yl]a N-[(5R)-4-acetyl-5-[3-bromo-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)	3.03	9.74	-17.43	1	7	0	80	496.358	6	↓ MOL2 SDF SMILES Flexibase

20895535

Analogs

20895538

Draw Identity 99% 90% 80% 70%

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

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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)	2.97	9.61	-16.23	1	6	0	71	403.891	5	↓ MOL2 SDF SMILES Flexibase

20895538

Analogs

20895535

Draw Identity 99% 90% 80% 70%

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

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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)	2.97	9.55	-16.39	1	6	0	71	403.891	5	↓ MOL2 SDF SMILES Flexibase

20895615

Analogs

20895617
859246

Draw Identity 99% 90% 80% 70%

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

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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	9.78	-16.53	1	6	0	71	383.473	5	↓ MOL2 SDF SMILES Flexibase

20895617

Analogs

20895615
859246

Draw Identity 99% 90% 80% 70%

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

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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	9.7	-16.6	1	6	0	71	383.473	5	↓ MOL2 SDF SMILES Flexibase

20895619

Analogs

20895621
642824

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[3-ethoxy-4-(o-tolylmethoxy)phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5S)-4-acetyl-5-[3-ethoxy-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)	2.71	10.53	-18.56	1	7	0	80	427.526	7	↓ MOL2 SDF SMILES Flexibase

20895621

Analogs

2601850
2601851

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[3-ethoxy-4-(o-tolylmethoxy)phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5R)-4-acetyl-5-[3-ethoxy-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)	2.71	10.53	-18.58	1	7	0	80	427.526	7	↓ MOL2 SDF SMILES Flexibase

20895624

Analogs

20895627
20895638
20895640

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[3-chloro-5-methoxy-4-(m-tolylmethoxy)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)	3.16	10.2	-18.75	1	7	0	80	447.944	6	↓ MOL2 SDF SMILES Flexibase

20895627

Analogs

20895638
20895640
20895624

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[3-chloro-5-methoxy-4-(m-tolylmethoxy)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)	3.16	10.2	-18.27	1	7	0	80	447.944	6	↓ MOL2 SDF SMILES Flexibase

20895630

Analogs

20895632
20895634
20895636
20895496
20895499

Draw Identity 99% 90% 80% 70%

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

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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)	3.27	10.41	-17.83	1	7	0	80	492.395	6	↓ MOL2 SDF SMILES Flexibase

20895632

Analogs

20895634
20895636
20895496
20895499
20895630

Draw Identity 99% 90% 80% 70%

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

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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)	3.27	10.41	-18.62	1	7	0	80	492.395	6	↓ MOL2 SDF SMILES Flexibase

20895634

Analogs

20895636
20895496
20895499
20895630
20895632

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

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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)	3.32	10.32	-18.53	1	7	0	80	492.395	6	↓ MOL2 SDF SMILES Flexibase

20895636

Analogs

20895496
20895499
20895630
20895632
20895634

Draw Identity 99% 90% 80% 70%

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

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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)	3.32	10.33	-18.03	1	7	0	80	492.395	6	↓ MOL2 SDF SMILES Flexibase

20895638

Analogs

20895640
20895624
20895627

Draw Identity 99% 90% 80% 70%

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

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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)	3.54	11.12	-17.94	1	7	0	80	461.971	7	↓ MOL2 SDF SMILES Flexibase

20895640

Analogs

20895624
20895627
20895638

Draw Identity 99% 90% 80% 70%

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

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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)	3.54	11.12	-18.48	1	7	0	80	461.971	7	↓ MOL2 SDF SMILES Flexibase

20895921

Analogs

20895924
20895958
20895961

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-(4-benzyloxy-3-bromo-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)	3.08	9.64	-16.01	1	6	0	71	448.342	5	↓ MOL2 SDF SMILES Flexibase

20895924

Analogs

20895958
20895961
20895921

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-(4-benzyloxy-3-bromo-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)	3.08	9.67	-18.07	1	6	0	71	448.342	5	↓ MOL2 SDF SMILES Flexibase

20895927

Analogs

20895930

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[3-chloro-4-[(2-fluorophenyl)methoxy]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)	3.06	9.67	-17.29	1	6	0	71	421.881	5	↓ MOL2 SDF SMILES Flexibase

20895930

Analogs

20895927

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[3-chloro-4-[(2-fluorophenyl)methoxy]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)	3.06	9.72	-17.18	1	6	0	71	421.881	5	↓ MOL2 SDF SMILES Flexibase

20895933

Analogs

20895936

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[3-bromo-4-[(2-fluorophenyl)methoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5R)-4-acetyl-5-[3-bromo-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)	3.20	9.79	-17.17	1	6	0	71	466.332	5	↓ MOL2 SDF SMILES Flexibase

20895936

Analogs

20895933

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[3-bromo-4-[(2-fluorophenyl)methoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5S)-4-acetyl-5-[3-bromo-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)	3.20	9.83	-17.1	1	6	0	71	466.332	5	↓ MOL2 SDF SMILES Flexibase

20895939

Analogs

20895941

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5R)-4-acetyl-5-[3-bromo-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)	3.24	9.71	-16.49	1	6	0	71	466.332	5	↓ MOL2 SDF SMILES Flexibase

20895941

Analogs

20895939

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5S)-4-acetyl-5-[3-bromo-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)	3.24	9.73	-18.82	1	6	0	71	466.332	5	↓ MOL2 SDF SMILES Flexibase

20895946

Analogs

20895949

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[3-chloro-4-(o-tolylmethoxy)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)	3.35	10.25	-18.79	1	6	0	71	417.918	5	↓ MOL2 SDF SMILES Flexibase

20895949

Analogs

20895946

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[3-chloro-4-(o-tolylmethoxy)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)	3.35	10.3	-18.65	1	6	0	71	417.918	5	↓ MOL2 SDF SMILES Flexibase

20895952

Analogs

20895955

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[3-chloro-4-(m-tolylmethoxy)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)	3.37	10.17	-16.29	1	6	0	71	417.918	5	↓ MOL2 SDF SMILES Flexibase

20895955

Analogs

20895952

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[3-chloro-4-(m-tolylmethoxy)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)	3.37	10.2	-18.3	1	6	0	71	417.918	5	↓ MOL2 SDF SMILES Flexibase

20895958

Analogs

20895961
20895921
20895924

Draw Identity 99% 90% 80% 70%

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

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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)	3.53	10.29	-16.16	1	6	0	71	462.369	5	↓ MOL2 SDF SMILES Flexibase

20895961

Analogs

20895921
20895924
20895958

Draw Identity 99% 90% 80% 70%

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

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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)	3.53	10.32	-18.16	1	6	0	71	462.369	5	↓ MOL2 SDF SMILES Flexibase

20896016

Analogs

20896018

Draw Identity 99% 90% 80% 70%

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

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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)	2.25	9.66	-20.57	1	9	0	117	414.443	6	↓ MOL2 SDF SMILES Flexibase

20896018

Analogs

20896016

Draw Identity 99% 90% 80% 70%

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

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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)	2.25	9.59	-20.8	1	9	0	117	414.443	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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