ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

20895643

Analogs

20895646
20895660
20895662

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[4-[3-(4-methylphenoxy)propoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5R)-4-acetyl-5-[4-[3-(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)	3.15	10.06	-17.93	1	7	0	80	427.526	8	↓ MOL2 SDF SMILES Flexibase

20895646

Analogs

20895660
20895662
20895643

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[4-[3-(4-methylphenoxy)propoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5S)-4-acetyl-5-[4-[3-(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)	3.15	9.99	-17.94	1	7	0	80	427.526	8	↓ MOL2 SDF SMILES Flexibase

20895649

Analogs

20895652
20895676
20895679
20895708
20895711

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[4-[3-(3-methylphenoxy)propoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5R)-4-acetyl-5-[4-[3-(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)	3.13	10.05	-18.08	1	7	0	80	427.526	8	↓ MOL2 SDF SMILES Flexibase

20895652

Analogs

20895676
20895679
20895708
20895711
20895649

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[4-[3-(3-methylphenoxy)propoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5S)-4-acetyl-5-[4-[3-(3-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)	3.13	9.99	-18.08	1	7	0	80	427.526	8	↓ MOL2 SDF SMILES Flexibase

20895654

Analogs

20895657

Draw Identity 99% 90% 80% 70%

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

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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)	3.38	9.93	-17.54	1	7	0	80	447.944	8	↓ MOL2 SDF SMILES Flexibase

20895657

Analogs

20895654

Draw Identity 99% 90% 80% 70%

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

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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)	3.38	9.86	-17.48	1	7	0	80	447.944	8	↓ MOL2 SDF SMILES Flexibase

20895660

Analogs

20895662
20895643
20895646

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[4-(3-phenoxypropoxy)phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5R)-4-acetyl-5-[4-(3-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)	2.70	9.41	-17.88	1	7	0	80	413.499	8	↓ MOL2 SDF SMILES Flexibase

20895662

Analogs

20895643
20895646
20895660

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[4-(3-phenoxypropoxy)phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5S)-4-acetyl-5-[4-(3-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)	2.70	9.34	-17.83	1	7	0	80	413.499	8	↓ MOL2 SDF SMILES Flexibase

20895676

Analogs

20895679
20895649
20895652

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[4-[3-(3,5-dimethylphenoxy)propoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5R)-4-acetyl-5-[4-[3-(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)	3.53	10.71	-18.16	1	7	0	80	441.553	8	↓ MOL2 SDF SMILES Flexibase

20895679

Analogs

20895649
20895652
20895676

Draw Identity 99% 90% 80% 70%

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

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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	10.64	-18.15	1	7	0	80	441.553	8	↓ MOL2 SDF SMILES Flexibase

20895682

Analogs

20895685
20895687
20895690
20895714
20895717

Draw Identity 99% 90% 80% 70%

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

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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	10.78	-17.98	1	7	0	80	441.553	8	↓ MOL2 SDF SMILES Flexibase

20895685

Analogs

20895687
20895690
20895714
20895717
20895682

Draw Identity 99% 90% 80% 70%

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

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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	10.71	-17.98	1	7	0	80	441.553	8	↓ MOL2 SDF SMILES Flexibase

20895687

Analogs

20895690
20895714
20895717
20895682
20895685

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[4-[3-(2,6-dimethylphenoxy)propoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5R)-4-acetyl-5-[4-[3-(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)	3.50	10.94	-17.72	1	7	0	80	441.553	8	↓ MOL2 SDF SMILES Flexibase

20895690

Analogs

20895714
20895717
20895682
20895685
20895687

Draw Identity 99% 90% 80% 70%

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

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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)	3.50	10.87	-17.7	1	7	0	80	441.553	8	↓ MOL2 SDF SMILES Flexibase

20895693

Analogs

20895696
20895703
20895705

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[4-[3-(4-chloro-3-methyl-phenoxy)propoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetami N-[(5R)-4-acetyl-5-[4-[3-(4-chlo…

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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)	3.76	10.53	-17.72	1	7	0	80	461.971	8	↓ MOL2 SDF SMILES Flexibase

20895696

Analogs

20895703
20895705
20895693

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[4-[3-(4-chloro-3-methyl-phenoxy)propoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetami N-[(5S)-4-acetyl-5-[4-[3-(4-chlo…

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)	3.76	10.47	-17.72	1	7	0	80	461.971	8	↓ MOL2 SDF SMILES Flexibase

20895698

Analogs

20895700

Draw Identity 99% 90% 80% 70%

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

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)	3.50	10.83	-18.12	1	7	0	80	441.553	8	↓ MOL2 SDF SMILES Flexibase

20895700

Analogs

20895698

Draw Identity 99% 90% 80% 70%

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

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)	3.50	10.77	-18.06	1	7	0	80	441.553	8	↓ MOL2 SDF SMILES Flexibase

20895703

Analogs

20895705
20895693
20895696

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[4-[3-(4-chloro-3,5-dimethyl-phenoxy)propoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]ace N-[(5R)-4-acetyl-5-[4-[3-(4-chlo…

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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)	4.13	11.1	-17.77	1	7	0	80	475.998	8	↓ MOL2 SDF SMILES Flexibase

20895705

Analogs

20895693
20895696
20895703

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[4-[3-(4-chloro-3,5-dimethyl-phenoxy)propoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]ace N-[(5S)-4-acetyl-5-[4-[3-(4-chlo…

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)	4.13	11.04	-17.86	1	7	0	80	475.998	8	↓ MOL2 SDF SMILES Flexibase

20895708

Analogs

20895711
20895649
20895652

Draw Identity 99% 90% 80% 70%

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

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)	3.53	10.73	-18.26	1	7	0	80	441.553	8	↓ MOL2 SDF SMILES Flexibase

20895711

Analogs

20895649
20895652
20895708

Draw Identity 99% 90% 80% 70%

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

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)	3.53	10.66	-18.21	1	7	0	80	441.553	8	↓ MOL2 SDF SMILES Flexibase

20895714

Analogs

20895717
20895682
20895685
20895687
20895690

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[4-[3-(2-methylphenoxy)propoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5R)-4-acetyl-5-[4-[3-(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)	3.10	10.12	-17.91	1	7	0	80	427.526	8	↓ MOL2 SDF SMILES Flexibase

20895717

Analogs

20895682
20895685
20895687
20895690
20895714

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[4-[3-(2-methylphenoxy)propoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5S)-4-acetyl-5-[4-[3-(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)	3.10	10.05	-17.95	1	7	0	80	427.526	8	↓ MOL2 SDF SMILES Flexibase

20895980

Analogs

20895983
20895986
20895989

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[3-chloro-4-[3-(4-methylphenoxy)propoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamid 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)	3.76	10.55	-17.89	1	7	0	80	461.971	8	↓ MOL2 SDF SMILES Flexibase

20895983

Analogs

20895986
20895989
20895980

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[3-chloro-4-[3-(4-methylphenoxy)propoxy]phenyl]-5H-1,3,4-thiadiazol-2-yl]acetamid N-[(5S)-4-acetyl-5-[3-chloro-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)	3.76	10.57	-20.21	1	7	0	80	461.971	8	↓ MOL2 SDF SMILES Flexibase

20895986

Analogs

20895989
20895980
20895983

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-4-acetyl-5-[3-chloro-4-(3-phenoxypropoxy)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)	3.31	9.9	-17.81	1	7	0	80	447.944	8	↓ MOL2 SDF SMILES Flexibase

20895989

Analogs

20895980
20895983
20895986

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[3-chloro-4-(3-phenoxypropoxy)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)	3.31	9.92	-20.2	1	7	0	80	447.944	8	↓ MOL2 SDF SMILES Flexibase

20895992

Analogs

20895995

Draw Identity 99% 90% 80% 70%

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

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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	-17.74	1	7	0	80	492.395	8	↓ MOL2 SDF SMILES Flexibase

20895995

Analogs

20895992

Draw Identity 99% 90% 80% 70%

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

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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	10.03	-20.06	1	7	0	80	492.395	8	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 79779
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 79779 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=79779&filter.purchasability=annotated

Embed Link to Results

<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
        "ring.id": "79779"        

    });
</script>

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