ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

20896102

Analogs

20896105

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[2-[(2-chlorophenyl)methoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5R)-4-acetyl-5-[2-[(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)	2.93	9.43	-16.49	1	6	0	71	403.891	5	↓ MOL2 SDF SMILES Flexibase

20896105

Analogs

20896102

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[2-[(2-chlorophenyl)methoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5S)-4-acetyl-5-[2-[(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)	2.93	9.58	-16.63	1	6	0	71	403.891	5	↓ MOL2 SDF SMILES Flexibase

20896114

Analogs

20896116

Draw Identity 99% 90% 80% 70%

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

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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)	2.30	8.85	-17.44	1	6	0	71	369.446	5	↓ MOL2 SDF SMILES Flexibase

20896116

Analogs

20896114

Draw Identity 99% 90% 80% 70%

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

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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)	2.30	9	-17.63	1	6	0	71	369.446	5	↓ MOL2 SDF SMILES Flexibase

20896118

Analogs

20896122
20896190
20896193
20896196
20896199

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-(2-benzyloxy-5-bromo-phenyl)-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5R)-4-acetyl-5-(2-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	9.59	-17.16	1	6	0	71	448.342	5	↓ MOL2 SDF SMILES Flexibase

20896122

Analogs

20896190
20896193
20896196
20896199
20896118

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-(2-benzyloxy-5-bromo-phenyl)-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5S)-4-acetyl-5-(2-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	9.62	-17.15	1	6	0	71	448.342	5	↓ MOL2 SDF SMILES Flexibase

20896125

Analogs

20896127

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[2-[(2-fluorophenyl)methoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5R)-4-acetyl-5-[2-[(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)	2.41	9.01	-16.9	1	6	0	71	387.436	5	↓ MOL2 SDF SMILES Flexibase

20896127

Analogs

20896125

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[2-[(2-fluorophenyl)methoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5S)-4-acetyl-5-[2-[(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)	2.41	9.15	-16.94	1	6	0	71	387.436	5	↓ MOL2 SDF SMILES Flexibase

20896129

Analogs

20896131

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5R)-4-acetyl-5-[5-chloro-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)	3.06	9.64	-16.61	1	6	0	71	421.881	5	↓ MOL2 SDF SMILES Flexibase

20896131

Analogs

20896129

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5S)-4-acetyl-5-[5-chloro-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)	3.06	9.67	-16.6	1	6	0	71	421.881	5	↓ MOL2 SDF SMILES Flexibase

20896133

Analogs

20896135

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[2-[(4-fluorophenyl)methoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5R)-4-acetyl-5-[2-[(4-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	8.92	-17.97	1	6	0	71	387.436	5	↓ MOL2 SDF SMILES Flexibase

20896135

Analogs

20896133

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[2-[(4-fluorophenyl)methoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5S)-4-acetyl-5-[2-[(4-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	9.07	-18	1	6	0	71	387.436	5	↓ MOL2 SDF SMILES Flexibase

20896138

Analogs

20896141

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5R)-4-acetyl-5-[5-bromo-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)	3.24	9.65	-18.05	1	6	0	71	466.332	5	↓ MOL2 SDF SMILES Flexibase

20896141

Analogs

20896138

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5S)-4-acetyl-5-[5-bromo-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)	3.24	9.69	-17.98	1	6	0	71	466.332	5	↓ MOL2 SDF SMILES Flexibase

20896184

Analogs

20896187
15832978
15832980

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[5-chloro-2-(p-tolylmethoxy)phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5R)-4-acetyl-5-[5-chloro-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)	3.40	10.13	-17.37	1	6	0	71	417.918	5	↓ MOL2 SDF SMILES Flexibase

20896187

Analogs

20896184
15832978
15832980

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[5-chloro-2-(p-tolylmethoxy)phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5S)-4-acetyl-5-[5-chloro-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)	3.40	10.16	-17.35	1	6	0	71	417.918	5	↓ MOL2 SDF SMILES Flexibase

20896190

Analogs

20896193
20896196
20896199
20896118
20896122

Draw Identity 99% 90% 80% 70%

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

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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	10.32	-17.43	1	6	0	71	462.369	5	↓ MOL2 SDF SMILES Flexibase

20896193

Analogs

20896196
20896199
20896118
20896122
20896190

Draw Identity 99% 90% 80% 70%

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

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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	10.36	-17.35	1	6	0	71	462.369	5	↓ MOL2 SDF SMILES Flexibase

20896196

Analogs

20896199
20896118
20896122
20896190
20896193

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[5-bromo-2-(p-tolylmethoxy)phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5R)-4-acetyl-5-[5-bromo-2-(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	10.24	-17.28	1	6	0	71	462.369	5	↓ MOL2 SDF SMILES Flexibase

20896199

Analogs

20896118
20896122
20896190
20896193
20896196

Draw Identity 99% 90% 80% 70%

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

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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)	3.53	10.26	-17.2	1	6	0	71	462.369	5	↓ MOL2 SDF SMILES Flexibase

20896295

Analogs

20896297
20896329
20896332
20896335
20896337

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-(2-benzyloxy-5-methyl-phenyl)-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5R)-4-acetyl-5-(2-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)	2.72	9.61	-17.79	1	6	0	71	383.473	5	↓ MOL2 SDF SMILES Flexibase

20896297

Analogs

20896329
20896332
20896335
20896337
20896295

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-(2-benzyloxy-5-methyl-phenyl)-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5S)-4-acetyl-5-(2-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)	2.72	9.64	-17.84	1	6	0	71	383.473	5	↓ MOL2 SDF SMILES Flexibase

20896300

Analogs

20896303

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[2-[(2-fluorophenyl)methoxy]-5-methyl-phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5R)-4-acetyl-5-[2-[(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)	2.84	9.77	-17.24	1	6	0	71	401.463	5	↓ MOL2 SDF SMILES Flexibase

20896303

Analogs

20896300

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[2-[(2-fluorophenyl)methoxy]-5-methyl-phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5S)-4-acetyl-5-[2-[(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)	2.84	9.79	-17.14	1	6	0	71	401.463	5	↓ MOL2 SDF SMILES Flexibase

20896306

Analogs

20896308

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[2-[(4-fluorophenyl)methoxy]-5-methyl-phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5R)-4-acetyl-5-[2-[(4-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)	2.88	9.68	-18.21	1	6	0	71	401.463	5	↓ MOL2 SDF SMILES Flexibase

20896308

Analogs

20896306

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[2-[(4-fluorophenyl)methoxy]-5-methyl-phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5S)-4-acetyl-5-[2-[(4-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)	2.88	9.71	-18.2	1	6	0	71	401.463	5	↓ MOL2 SDF SMILES Flexibase

20896311

Analogs

20896314

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[2-[(2-chlorophenyl)methoxy]-5-methyl-phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5R)-4-acetyl-5-[2-[(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)	3.35	10.19	-16.89	1	6	0	71	417.918	5	↓ MOL2 SDF SMILES Flexibase

20896314

Analogs

20896311

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[2-[(2-chlorophenyl)methoxy]-5-methyl-phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5S)-4-acetyl-5-[2-[(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)	3.35	10.23	-16.73	1	6	0	71	417.918	5	↓ MOL2 SDF SMILES Flexibase

20896329

Analogs

20896332
20896295
20896297

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[5-methyl-2-(o-tolylmethoxy)phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5R)-4-acetyl-5-[5-methyl-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)	3.12	10.37	-17.87	1	6	0	71	397.5	5	↓ MOL2 SDF SMILES Flexibase

20896332

Analogs

20896295
20896297
20896329

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[5-methyl-2-(o-tolylmethoxy)phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5S)-4-acetyl-5-[5-methyl-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)	3.12	10.39	-17.82	1	6	0	71	397.5	5	↓ MOL2 SDF SMILES Flexibase

20896335

Analogs

20896337
20896295
20896297

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[5-methyl-2-(m-tolylmethoxy)phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5R)-4-acetyl-5-[5-methyl-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)	3.14	10.27	-17.85	1	6	0	71	397.5	5	↓ MOL2 SDF SMILES Flexibase

20896337

Analogs

20896295
20896297
20896335

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Popular Name: N-[(5S)-4-acetyl-5-[5-methyl-2-(m-tolylmethoxy)phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5S)-4-acetyl-5-[5-methyl-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)	3.14	10.3	-17.81	1	6	0	71	397.5	5	↓ MOL2 SDF SMILES Flexibase

20896408

Analogs

20896411

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Popular Name: N-[(5S)-4-acetyl-5-[2-[(2-chlorophenyl)methoxy]-5-methoxy-phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5S)-4-acetyl-5-[2-[(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)	2.96	8.89	-18.61	1	7	0	80	433.917	6	↓ MOL2 SDF SMILES Flexibase

20896411

Analogs

20896408

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Popular Name: N-[(5R)-4-acetyl-5-[2-[(2-chlorophenyl)methoxy]-5-methoxy-phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5R)-4-acetyl-5-[2-[(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)	2.96	8.85	-18.61	1	7	0	80	433.917	6	↓ MOL2 SDF SMILES Flexibase

20896418

Analogs

20896421
20896429
20896432

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Popular Name: N-[(5S)-4-acetyl-5-[5-methoxy-2-(o-tolylmethoxy)phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5S)-4-acetyl-5-[5-methoxy-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)	2.73	9.05	-19.87	1	7	0	80	413.499	6	↓ MOL2 SDF SMILES Flexibase

20896421

Analogs

20896429
20896432
20896418

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Popular Name: N-[(5R)-4-acetyl-5-[5-methoxy-2-(o-tolylmethoxy)phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5R)-4-acetyl-5-[5-methoxy-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)	2.73	9	-19.94	1	7	0	80	413.499	6	↓ MOL2 SDF SMILES Flexibase

20896423

Analogs

20896426

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Popular Name: N-[(5S)-4-acetyl-5-[5-methoxy-2-(m-tolylmethoxy)phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5S)-4-acetyl-5-[5-methoxy-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)	2.75	8.95	-19.77	1	7	0	80	413.499	6	↓ MOL2 SDF SMILES Flexibase

20896426

Analogs

20896423

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Popular Name: N-[(5R)-4-acetyl-5-[5-methoxy-2-(m-tolylmethoxy)phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5R)-4-acetyl-5-[5-methoxy-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)	2.75	8.91	-19.87	1	7	0	80	413.499	6	↓ MOL2 SDF SMILES Flexibase

20896429

Analogs

20896432
20896418
20896421

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Popular Name: N-[(5S)-4-acetyl-5-[5-methoxy-2-(p-tolylmethoxy)phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5S)-4-acetyl-5-[5-methoxy-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)	2.78	8.95	-19.86	1	7	0	80	413.499	6	↓ MOL2 SDF SMILES Flexibase

20896432

Analogs

20896418
20896421
20896429

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Popular Name: N-[(5R)-4-acetyl-5-[5-methoxy-2-(p-tolylmethoxy)phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5R)-4-acetyl-5-[5-methoxy-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)	2.78	8.92	-19.83	1	7	0	80	413.499	6	↓ MOL2 SDF SMILES Flexibase

20896440

Analogs

20896442

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Popular Name: N-[(5R)-4-acetyl-5-[2-[(2-nitrophenyl)methoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5R)-4-acetyl-5-[2-[(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)	2.21	9.48	-19.8	1	9	0	117	414.443	6	↓ MOL2 SDF SMILES Flexibase

20896442

Analogs

20896440

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Popular Name: N-[(5S)-4-acetyl-5-[2-[(2-nitrophenyl)methoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5S)-4-acetyl-5-[2-[(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)	2.21	9.62	-19.83	1	9	0	117	414.443	6	↓ MOL2 SDF SMILES Flexibase

20896445

Analogs

20896447

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Popular Name: N-[(5R)-4-acetyl-5-[2-[(4-nitrophenyl)methoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5R)-4-acetyl-5-[2-[(4-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	9.53	-21.47	1	9	0	117	414.443	6	↓ MOL2 SDF SMILES Flexibase

20896447

Analogs

20896445

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Popular Name: N-[(5S)-4-acetyl-5-[2-[(4-nitrophenyl)methoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5S)-4-acetyl-5-[2-[(4-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	9.67	-21.44	1	9	0	117	414.443	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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SQL Query Was

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