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ZINC Item

Suppliers, Protomers, & Similar Substances

2785589

Analogs

2805411
2805412
2805413
2805414

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,7S)-7-[(2,6-difluorobenzoyl)amino]-8-keto-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-5-thi (6S,7S)-7-[(2,6-difluorobenzoyl)…

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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)	1.39	-2.09	-67.99	1	8	-1	115	483.523	6	↓ MOL2 SDF SMILES Flexibase

2785590

Analogs

2805411
2805412
2805413
2805414

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,7S)-7-[(2,6-difluorobenzoyl)amino]-8-keto-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-5-thi (6R,7S)-7-[(2,6-difluorobenzoyl)…

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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)	1.39	7.18	-72.7	1	8	-1	115	483.523	6	↓ MOL2 SDF SMILES Flexibase

2785591

Analogs

2805411
2805412
2805413
2805414

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,7R)-7-[(2,6-difluorobenzoyl)amino]-8-keto-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-5-thi (6S,7R)-7-[(2,6-difluorobenzoyl)…

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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)	1.39	7.19	-72.4	1	8	-1	115	483.523	6	↓ MOL2 SDF SMILES Flexibase

2785592

Analogs

2805411
2805412
2805413
2805414

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,7R)-7-[(2,6-difluorobenzoyl)amino]-8-keto-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-5-thi (6R,7R)-7-[(2,6-difluorobenzoyl)…

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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)	1.39	7.41	-72.18	1	8	-1	115	483.523	6	↓ MOL2 SDF SMILES Flexibase

2786376

Analogs

2786377
2786378
2786379
2798443
2798445

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,7S)-7-[(2-chlorobenzoyl)amino]-8-keto-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-5-thia-1- (6S,7S)-7-[(2-chlorobenzoyl)amin…

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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)	1.79	7	-71.36	1	8	-1	115	481.988	6	↓ MOL2 SDF SMILES Flexibase

2786377

Analogs

2786378
2786379
2798443
2798445
2798446

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,7S)-7-[(2-chlorobenzoyl)amino]-8-keto-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-5-thia-1- (6R,7S)-7-[(2-chlorobenzoyl)amin…

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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)	1.79	7.18	-69.02	1	8	-1	115	481.988	6	↓ MOL2 SDF SMILES Flexibase

2786378

Analogs

2786379
2798443
2798445
2798446
2786376

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,7R)-7-[(2-chlorobenzoyl)amino]-8-keto-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-5-thia-1- (6S,7R)-7-[(2-chlorobenzoyl)amin…

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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)	1.79	6.76	-71.67	1	8	-1	115	481.988	6	↓ MOL2 SDF SMILES Flexibase

2786379

Analogs

2798443
2798445
2798446
2786376
2786377

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,7R)-7-[(2-chlorobenzoyl)amino]-8-keto-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-5-thia-1- (6R,7R)-7-[(2-chlorobenzoyl)amin…

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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)	1.79	7.02	-72.11	1	8	-1	115	481.988	6	↓ MOL2 SDF SMILES Flexibase

2803195

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,7R)-7-[(2,5-dimethylbenzoyl)amino]-8-keto-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-5-thi (6R,7R)-7-[(2,5-dimethylbenzoyl)…

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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)	1.98	8.75	-67.42	1	8	-1	115	475.597	6	↓ MOL2 SDF SMILES Flexibase

2803196

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,7S)-7-[(2,5-dimethylbenzoyl)amino]-8-keto-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-5-thi (6R,7S)-7-[(2,5-dimethylbenzoyl)…

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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)	1.98	8.52	-67.76	1	8	-1	115	475.597	6	↓ MOL2 SDF SMILES Flexibase

2803197

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,7R)-7-[(2,5-dimethylbenzoyl)amino]-8-keto-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-5-thi (6S,7R)-7-[(2,5-dimethylbenzoyl)…

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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)	1.98	8.54	-67.69	1	8	-1	115	475.597	6	↓ MOL2 SDF SMILES Flexibase

2803198

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,7S)-7-[(2,5-dimethylbenzoyl)amino]-8-keto-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-5-thi (6S,7S)-7-[(2,5-dimethylbenzoyl)…

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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)	1.98	8.76	-67.21	1	8	-1	115	475.597	6	↓ MOL2 SDF SMILES Flexibase

2803208

Analogs

31545233

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,7R)-7-[(3,5-dimethylbenzoyl)amino]-8-keto-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-5-thi (6R,7R)-7-[(3,5-dimethylbenzoyl)…

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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)	1.98	8.74	-67.89	1	8	-1	115	475.597	6	↓ MOL2 SDF SMILES Flexibase

2803209

Analogs

31545233

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,7S)-7-[(3,5-dimethylbenzoyl)amino]-8-keto-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-5-thi (6R,7S)-7-[(3,5-dimethylbenzoyl)…

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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)	1.98	8.51	-68.64	1	8	-1	115	475.597	6	↓ MOL2 SDF SMILES Flexibase

2803210

Analogs

31545233

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,7R)-7-[(3,5-dimethylbenzoyl)amino]-8-keto-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-5-thi (6S,7R)-7-[(3,5-dimethylbenzoyl)…

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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)	1.98	8.51	-68.35	1	8	-1	115	475.597	6	↓ MOL2 SDF SMILES Flexibase

2803211

Analogs

31545233

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,7S)-7-[(3,5-dimethylbenzoyl)amino]-8-keto-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-5-thi (6S,7S)-7-[(3,5-dimethylbenzoyl)…

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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)	1.98	8.72	-67.92	1	8	-1	115	475.597	6	↓ MOL2 SDF SMILES Flexibase

2803246

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,7S)-7-[(4-fluorobenzoyl)amino]-8-keto-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-5-thia-1- (6S,7S)-7-[(4-fluorobenzoyl)amin…

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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)	1.32	7.12	-64.06	1	8	-1	115	465.533	6	↓ MOL2 SDF SMILES Flexibase

2803247

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,7S)-7-[(4-fluorobenzoyl)amino]-8-keto-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-5-thia-1- (6R,7S)-7-[(4-fluorobenzoyl)amin…

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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)	1.32	6.5	-70.27	1	8	-1	115	465.533	6	↓ MOL2 SDF SMILES Flexibase

2803248

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,7R)-7-[(4-fluorobenzoyl)amino]-8-keto-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-5-thia-1- (6S,7R)-7-[(4-fluorobenzoyl)amin…

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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)	1.32	6.46	-66.16	1	8	-1	115	465.533	6	↓ MOL2 SDF SMILES Flexibase

2803249

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,7R)-7-[(4-fluorobenzoyl)amino]-8-keto-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-5-thia-1- (6R,7R)-7-[(4-fluorobenzoyl)amin…

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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)	1.32	7.37	-61.38	1	8	-1	115	465.533	6	↓ MOL2 SDF SMILES Flexibase

2803256

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,7S)-7-[(2,4-difluorobenzoyl)amino]-8-keto-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-5-thi (6S,7S)-7-[(2,4-difluorobenzoyl)…

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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)	1.41	6.63	-70.48	1	8	-1	115	483.523	6	↓ MOL2 SDF SMILES Flexibase

2803257

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,7S)-7-[(2,4-difluorobenzoyl)amino]-8-keto-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-5-thi (6R,7S)-7-[(2,4-difluorobenzoyl)…

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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)	1.41	6.81	-68.85	1	8	-1	115	483.523	6	↓ MOL2 SDF SMILES Flexibase

2803258

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,7R)-7-[(2,4-difluorobenzoyl)amino]-8-keto-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-5-thi (6S,7R)-7-[(2,4-difluorobenzoyl)…

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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)	1.41	6.4	-71.28	1	8	-1	115	483.523	6	↓ MOL2 SDF SMILES Flexibase

2803259

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,7R)-7-[(2,4-difluorobenzoyl)amino]-8-keto-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-5-thi (6R,7R)-7-[(2,4-difluorobenzoyl)…

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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)	1.41	6.6	-70.07	1	8	-1	115	483.523	6	↓ MOL2 SDF SMILES Flexibase

2805403

Analogs

2798443
2798445

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,7S)-7-[(4-chlorobenzoyl)amino]-8-keto-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-5-thia-1- (6S,7S)-7-[(4-chlorobenzoyl)amin…

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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)	1.83	7.55	-64.63	1	8	-1	115	481.988	6	↓ MOL2 SDF SMILES Flexibase

2805404

Analogs

2798443
2798445

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,7S)-7-[(4-chlorobenzoyl)amino]-8-keto-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-5-thia-1- (6R,7S)-7-[(4-chlorobenzoyl)amin…

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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)	1.83	6.95	-71.89	1	8	-1	115	481.988	6	↓ MOL2 SDF SMILES Flexibase

2805405

Analogs

2798443
2798445

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,7R)-7-[(4-chlorobenzoyl)amino]-8-keto-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-5-thia-1- (6S,7R)-7-[(4-chlorobenzoyl)amin…

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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)	1.83	6.94	-67.91	1	8	-1	115	481.988	6	↓ MOL2 SDF SMILES Flexibase

2805406

Analogs

2798443
2798445

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,7R)-7-[(4-chlorobenzoyl)amino]-8-keto-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-5-thia-1- (6R,7R)-7-[(4-chlorobenzoyl)amin…

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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)	1.83	7.82	-62	1	8	-1	115	481.988	6	↓ MOL2 SDF SMILES Flexibase

2805411

Analogs

2785589
2785590

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,7S)-7-[(2-fluorobenzoyl)amino]-8-keto-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-5-thia-1- (6S,7S)-7-[(2-fluorobenzoyl)amin…

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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)	1.27	6.59	-74.34	1	8	-1	115	465.533	6	↓ MOL2 SDF SMILES Flexibase

2805412

Analogs

2785589
2785590

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,7S)-7-[(2-fluorobenzoyl)amino]-8-keto-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-5-thia-1- (6R,7S)-7-[(2-fluorobenzoyl)amin…

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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)	1.27	6.76	-73.56	1	8	-1	115	465.533	6	↓ MOL2 SDF SMILES Flexibase

2805413

Analogs

2785589
2785590

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,7R)-7-[(2-fluorobenzoyl)amino]-8-keto-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-5-thia-1- (6S,7R)-7-[(2-fluorobenzoyl)amin…

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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)	1.27	6.37	-75.58	1	8	-1	115	465.533	6	↓ MOL2 SDF SMILES Flexibase

2805414

Analogs

2785589
2785590

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,7R)-7-[(2-fluorobenzoyl)amino]-8-keto-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-5-thia-1- (6R,7R)-7-[(2-fluorobenzoyl)amin…

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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)	1.27	6.6	-75.12	1	8	-1	115	465.533	6	↓ MOL2 SDF SMILES Flexibase

2805518

Analogs

31545233

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,7S)-7-[(4-cyanobenzoyl)amino]-8-keto-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-5-thia-1-a (6S,7S)-7-[(4-cyanobenzoyl)amino…

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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)	0.91	7.45	-65.82	1	9	-1	139	472.553	6	↓ MOL2 SDF SMILES Flexibase

2805519

Analogs

31545233

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,7S)-7-[(4-cyanobenzoyl)amino]-8-keto-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-5-thia-1-a (6R,7S)-7-[(4-cyanobenzoyl)amino…

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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)	0.91	6.83	-72.16	1	9	-1	139	472.553	6	↓ MOL2 SDF SMILES Flexibase

2805520

Analogs

31545233

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,7R)-7-[(4-cyanobenzoyl)amino]-8-keto-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-5-thia-1-a (6S,7R)-7-[(4-cyanobenzoyl)amino…

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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)	0.91	6.78	-68.07	1	9	-1	139	472.553	6	↓ MOL2 SDF SMILES Flexibase

2805521

Analogs

31545233

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,7R)-7-[(4-cyanobenzoyl)amino]-8-keto-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-5-thia-1-a (6R,7R)-7-[(4-cyanobenzoyl)amino…

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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)	0.91	7.69	-63.14	1	9	-1	139	472.553	6	↓ MOL2 SDF SMILES Flexibase

2805534

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,7R)-7-[(2,4-dimethylbenzoyl)amino]-8-keto-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-5-thi (6R,7R)-7-[(2,4-dimethylbenzoyl)…

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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)	1.98	7.85	-70.97	1	8	-1	115	475.597	6	↓ MOL2 SDF SMILES Flexibase

2805535

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,7S)-7-[(2,4-dimethylbenzoyl)amino]-8-keto-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-5-thi (6R,7S)-7-[(2,4-dimethylbenzoyl)…

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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)	1.98	8.35	-65.12	1	8	-1	115	475.597	6	↓ MOL2 SDF SMILES Flexibase

2805536

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,7R)-7-[(2,4-dimethylbenzoyl)amino]-8-keto-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-5-thi (6S,7R)-7-[(2,4-dimethylbenzoyl)…

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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)	1.98	8.24	-64.5	1	8	-1	115	475.597	6	↓ MOL2 SDF SMILES Flexibase

2805537

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,7S)-7-[(2,4-dimethylbenzoyl)amino]-8-keto-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-5-thi (6S,7S)-7-[(2,4-dimethylbenzoyl)…

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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)	1.98	7.99	-70.71	1	8	-1	115	475.597	6	↓ MOL2 SDF SMILES Flexibase

2805552

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,7S)-8-keto-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-7-[(4-nitrobenzoyl)amino]-5-thia-1-a (6S,7S)-8-keto-3-[[(5-methyl-1,3…

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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)	1.11	-2.7	-64.89	1	11	-1	161	492.54	7	↓ MOL2 SDF SMILES Flexibase

2805553

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,7S)-8-keto-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-7-[(4-nitrobenzoyl)amino]-5-thia-1-a (6R,7S)-8-keto-3-[[(5-methyl-1,3…

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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)	1.12	7.1	-73.61	1	11	-1	161	492.54	7	↓ MOL2 SDF SMILES Flexibase

2805554

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,7R)-8-keto-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-7-[(4-nitrobenzoyl)amino]-5-thia-1-a (6S,7R)-8-keto-3-[[(5-methyl-1,3…

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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)	1.12	7.09	-69.5	1	11	-1	161	492.54	7	↓ MOL2 SDF SMILES Flexibase

2805555

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,7R)-8-keto-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-7-[(4-nitrobenzoyl)amino]-5-thia-1-a (6R,7R)-8-keto-3-[[(5-methyl-1,3…

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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)	1.12	7.97	-62.99	1	11	-1	161	492.54	7	↓ MOL2 SDF SMILES Flexibase

2805587

Analogs

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Popular Name: (6R,7R)-8-keto-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-7-(o-toluoylamino)-5-thia-1-azabicyc (6R,7R)-8-keto-3-[[(5-methyl-1,3…

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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)	1.56	7.12	-69.57	1	8	-1	115	461.57	6	↓ MOL2 SDF SMILES Flexibase

2805588

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,7S)-8-keto-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-7-(o-toluoylamino)-5-thia-1-azabicyc (6R,7S)-8-keto-3-[[(5-methyl-1,3…

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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)	1.56	7.75	-63.49	1	8	-1	115	461.57	6	↓ MOL2 SDF SMILES Flexibase

2805589

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,7R)-8-keto-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-7-(o-toluoylamino)-5-thia-1-azabicyc (6S,7R)-8-keto-3-[[(5-methyl-1,3…

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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)	1.56	7.08	-69.81	1	8	-1	115	461.57	6	↓ MOL2 SDF SMILES Flexibase

2805590

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,7S)-8-keto-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-7-(o-toluoylamino)-5-thia-1-azabicyc (6S,7S)-8-keto-3-[[(5-methyl-1,3…

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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)	1.56	7.33	-69.87	1	8	-1	115	461.57	6	↓ MOL2 SDF SMILES Flexibase

2805606

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,7S)-7-[(2,3-difluorobenzoyl)amino]-8-keto-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-5-thi (6S,7S)-7-[(2,3-difluorobenzoyl)…

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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)	1.39	7.61	-71.45	1	8	-1	115	483.523	6	↓ MOL2 SDF SMILES Flexibase

2805607

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,7S)-7-[(2,3-difluorobenzoyl)amino]-8-keto-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-5-thi (6R,7S)-7-[(2,3-difluorobenzoyl)…

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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)	1.39	7.36	-74.24	1	8	-1	115	483.523	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
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Structural Results Found: (before additional filtering)

SQL Query Was

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