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ZINC Item

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11541445

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-methylsulfanylphenyl)-acetamide 2-[(5-anilino-1,3,4-thiadiazol-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)	4.58	8.88	-12.22	2	5	0	67	388.543	7	↓ MOL2 SDF SMILES Flexibase

18954305

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-methyl-benzamide 4-[[2-[(5-anilino-1,3,4-thiadiaz…

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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)	3.36	6.13	-17.08	3	7	0	96	399.501	7	↓ MOL2 SDF SMILES Flexibase

20888555

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chloro-2-methyl-phenyl)-2-[[5-[(2-ethoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide N-(4-chloro-2-methyl-phenyl)-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)	5.61	9.61	-13.68	2	6	0	76	434.974	8	↓ MOL2 SDF SMILES Flexibase

20894410

Analogs

20894413

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[5-[(2-methoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)propanamide (2S)-2-[[5-[(2-methoxyphenyl)ami…

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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	3.05	-18.34	4	9	0	136	465.582	8	↓ MOL2 SDF SMILES Flexibase

20894413

Analogs

20894410

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[5-[(2-methoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)propanamide (2R)-2-[[5-[(2-methoxyphenyl)ami…

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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	3.05	-18.14	4	9	0	136	465.582	8	↓ MOL2 SDF SMILES Flexibase

12039353

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-methylsulfonylphenyl)-acetamide 2-[(5-anilino-1,3,4-thiadiazol-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)	3.04	-5.42	-20.92	2	7	0	101	420.541	7	↓ MOL2 SDF SMILES Flexibase

12039376

Analogs

16543355

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(difluoromethylsulfonyl)phenyl]-acetamide 2-[(5-anilino-1,3,4-thiadiazol-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)	3.99	-3.38	-15.15	2	7	0	101	456.521	8	↓ MOL2 SDF SMILES Flexibase

12039462

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-ethyl-N-(o-tolyl)acetamide 2-[(5-anilino-1,3,4-thiadiazol-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)	5.19	0.7	-11.86	1	5	0	58	384.53	7	↓ MOL2 SDF SMILES Flexibase

12039469

Analogs

9804323

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-acetamide 2-[(5-anilino-1,3,4-thiadiazol-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)	4.70	1.79	-16.15	1	6	0	82	423.567	8	↓ MOL2 SDF SMILES Flexibase

22361470

Analogs

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Popular Name: (2S)-N-(4-chloro-2-nitro-phenyl)-2-[[5-[(3-methoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]propa (2S)-N-(4-chloro-2-nitro-phenyl)…

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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)	5.13	9.47	-13.04	2	9	0	122	465.944	8	↓ MOL2 SDF SMILES Flexibase

22361472

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(4-chloro-2-nitro-phenyl)-2-[[5-[(3-methoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]propa (2R)-N-(4-chloro-2-nitro-phenyl)…

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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)	5.13	9.35	-11.92	2	9	0	122	465.944	8	↓ MOL2 SDF SMILES Flexibase

22361478

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[5-[(3-methoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methyl-4-nitro-phenyl)propa (2S)-2-[[5-[(3-methoxyphenyl)ami…

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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)	4.90	9.36	-20.68	2	9	0	122	445.526	8	↓ MOL2 SDF SMILES Flexibase

22361480

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[5-[(3-methoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methyl-4-nitro-phenyl)propa (2R)-2-[[5-[(3-methoxyphenyl)ami…

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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)	4.90	9.35	-18.32	2	9	0	122	445.526	8	↓ MOL2 SDF SMILES Flexibase

22361691

Analogs

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Popular Name: (2S)-2-[[5-[(3-methoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methyl-3-nitro-phenyl)propa (2S)-2-[[5-[(3-methoxyphenyl)ami…

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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)	4.90	9.08	-18.68	2	9	0	122	445.526	8	↓ MOL2 SDF SMILES Flexibase

22361692

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[5-[(3-methoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methyl-3-nitro-phenyl)propa (2R)-2-[[5-[(3-methoxyphenyl)ami…

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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)	4.90	9.06	-15.98	2	9	0	122	445.526	8	↓ MOL2 SDF SMILES Flexibase

22361702

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(2-chloro-4-methyl-phenyl)-2-[[5-[(3-methoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]prop (2S)-N-(2-chloro-4-methyl-phenyl…

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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)	5.62	9.17	-12.33	2	6	0	76	434.974	7	↓ MOL2 SDF SMILES Flexibase

22361704

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2-chloro-4-methyl-phenyl)-2-[[5-[(3-methoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]prop (2R)-N-(2-chloro-4-methyl-phenyl…

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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)	5.62	9.13	-12	2	6	0	76	434.974	7	↓ MOL2 SDF SMILES Flexibase

22361706

Analogs

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Popular Name: (2S)-N-(2-chloro-4,6-dimethyl-phenyl)-2-[[5-[(3-methoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl] (2S)-N-(2-chloro-4,6-dimethyl-ph…

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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)	6.00	9.98	-15.05	2	6	0	76	449.001	7	↓ MOL2 SDF SMILES Flexibase

22361708

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2-chloro-4,6-dimethyl-phenyl)-2-[[5-[(3-methoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl] (2R)-N-(2-chloro-4,6-dimethyl-ph…

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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)	6.00	9.85	-14.91	2	6	0	76	449.001	7	↓ MOL2 SDF SMILES Flexibase

36640482

Analogs

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Popular Name: methyl methyl

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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)	4.73	8.9	-18.52	2	8	0	102	444.538	9	↓ MOL2 SDF SMILES Flexibase

36640484

Analogs

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Popular Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acet N-(2-cyanoethyl)-N-(3,5-dimethyl…

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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)	4.71	11.76	-15.96	1	7	0	91	453.593	9	↓ MOL2 SDF SMILES Flexibase

36640487

Analogs

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Popular Name: N-(2-chloro-4,6-dimethyl-phenyl)-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide N-(2-chloro-4,6-dimethyl-phenyl)…

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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)	5.61	9.38	-12.51	2	6	0	76	434.974	7	↓ MOL2 SDF SMILES Flexibase

36640493

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chloro-4-cyano-phenyl)-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide N-(3-chloro-4-cyano-phenyl)-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)	4.54	8.18	-14.36	2	7	0	100	431.93	7	↓ MOL2 SDF SMILES Flexibase

36640650

Analogs

6559552

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Popular Name: methyl methyl

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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)	5.14	10.05	-18.73	2	7	0	93	428.539	8	↓ MOL2 SDF SMILES Flexibase

36640725

Analogs

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Popular Name: methyl methyl

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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)	5.10	9.83	-18.19	2	8	0	102	458.565	10	↓ MOL2 SDF SMILES Flexibase

36640727

Analogs

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Popular Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]aceta N-(2-cyanoethyl)-N-(3,5-dimethyl…

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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)	5.08	12.77	-15.54	1	7	0	91	467.62	10	↓ MOL2 SDF SMILES Flexibase

36640729

Analogs

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Popular Name: N-(2-chloro-4,6-dimethyl-phenyl)-2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide N-(2-chloro-4,6-dimethyl-phenyl)…

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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)	5.99	10.42	-12.32	2	6	0	76	449.001	8	↓ MOL2 SDF SMILES Flexibase

12539279

Analogs

46588200
6559456

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(3-acetamidophenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-fluorophenyl)acetamide 2-[[5-[(3-acetamidophenyl)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)	3.51	6.83	-20.25	3	7	0	96	417.491	7	↓ MOL2 SDF SMILES Flexibase

13254875

Analogs

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Popular Name: (E)-3-[4-[[2-[[5-[(4-butylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]phenyl]prop-2-en (E)-3-[4-[[2-[[5-[(4-butylphenyl…

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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)	6.01	11.71	-61.17	2	7	-1	107	467.596	11	↓ MOL2 SDF SMILES Flexibase

13406450

Analogs

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Popular Name: 2-[[2-[[5-[(2-ethylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]terephthalic 2-[[2-[[5-[(2-ethylphenyl)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)	4.97	9.08	-105.83	2	9	-2	147	456.505	9	↓ MOL2 SDF SMILES Flexibase

13406507

Analogs

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Popular Name: (E)-3-[4-[[2-[[5-[(2-ethylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]phenyl]prop-2-en (E)-3-[4-[[2-[[5-[(2-ethylphenyl…

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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)	5.01	10.36	-60.8	2	7	-1	107	439.542	9	↓ MOL2 SDF SMILES Flexibase

13407144

Analogs

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Popular Name: (E)-3-[4-[[2-[[5-[(2,6-diethylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]phenyl]prop- (E)-3-[4-[[2-[[5-[(2,6-diethylph…

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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)	5.88	11.52	-60.67	2	7	-1	107	467.596	10	↓ MOL2 SDF SMILES Flexibase

13407161

Analogs

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Popular Name: 2-[[2-[[5-[(2-chloro-4,6-dimethyl-phenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]terephth 2-[[2-[[5-[(2-chloro-4,6-dimethy…

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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)	5.53	9.5	-107.27	2	9	-2	147	490.95	8	↓ MOL2 SDF SMILES Flexibase

13407207

Analogs

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Popular Name: (E)-3-[4-[[2-[[5-[(2-chloro-4,6-dimethyl-phenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]p (E)-3-[4-[[2-[[5-[(2-chloro-4,6-…

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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)	5.57	10.67	-61.86	2	7	-1	107	473.987	8	↓ MOL2 SDF SMILES Flexibase

13407227

Analogs

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Popular Name: 2-[[2-[[5-[(3-chloro-4-methyl-phenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]terephthalic 2-[[2-[[5-[(3-chloro-4-methyl-ph…

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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)	5.16	8.59	-104.32	2	9	-2	147	476.923	8	↓ MOL2 SDF SMILES Flexibase

13407279

Analogs

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Popular Name: (E)-3-[4-[[2-[[5-[(3-chloro-4-methyl-phenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]pheny (E)-3-[4-[[2-[[5-[(3-chloro-4-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)	5.20	9.82	-60.27	2	7	-1	107	459.96	8	↓ MOL2 SDF SMILES Flexibase

13410485

Analogs

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Popular Name: 2-[[2-[[5-[(3-methoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]terephthalic 2-[[2-[[5-[(3-methoxyphenyl)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)	4.13	6.78	-106.16	2	10	-2	156	458.477	9	↓ MOL2 SDF SMILES Flexibase

13410528

Analogs

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Popular Name: (E)-3-[4-[[2-[[5-[(3-methoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]phenyl]prop-2- (E)-3-[4-[[2-[[5-[(3-methoxyphen…

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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)	4.18	8	-64.49	2	8	-1	116	441.514	9	↓ MOL2 SDF SMILES Flexibase

13411727

Analogs

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Popular Name: 2-[[2-[[5-[(2,3-dimethylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]terephthalic 2-[[2-[[5-[(2,3-dimethylphenyl)a…

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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)	4.90	8.92	-106.53	2	9	-2	147	456.505	8	↓ MOL2 SDF SMILES Flexibase

13411772

Analogs

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Popular Name: (E)-3-[4-[[2-[[5-[(2,3-dimethylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]phenyl]prop (E)-3-[4-[[2-[[5-[(2,3-dimethylp…

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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)	4.94	10.15	-61.4	2	7	-1	107	439.542	8	↓ MOL2 SDF SMILES Flexibase

13411860

Analogs

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Popular Name: 2-[[2-[[5-[(3,4-dimethylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]terephthalic 2-[[2-[[5-[(3,4-dimethylphenyl)a…

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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)	4.93	8.7	-106.66	2	9	-2	147	456.505	8	↓ MOL2 SDF SMILES Flexibase

13411890

Analogs

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Popular Name: (E)-3-[4-[[2-[[5-[(3,4-dimethylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]phenyl]prop (E)-3-[4-[[2-[[5-[(3,4-dimethylp…

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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)	4.97	9.92	-61.55	2	7	-1	107	439.542	8	↓ MOL2 SDF SMILES Flexibase

13412264

Analogs

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Popular Name: 2-[[2-[[5-[(2-fluorophenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]terephthalic 2-[[2-[[5-[(2-fluorophenyl)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)	4.22	7.64	-103.97	2	9	-2	147	446.441	8	↓ MOL2 SDF SMILES Flexibase

13412309

Analogs

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Popular Name: (E)-3-[4-[[2-[[5-[(2-fluorophenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]phenyl]prop-2-e (E)-3-[4-[[2-[[5-[(2-fluoropheny…

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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)	4.26	8.92	-60.33	2	7	-1	107	429.478	8	↓ MOL2 SDF SMILES Flexibase

13412397

Analogs

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Popular Name: 2-[[2-[[5-(p-tolylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]terephthalic 2-[[2-[[5-(p-tolylamino)-1,3,4-t…

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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)	4.55	8.16	-106.56	2	9	-2	147	442.478	8	↓ MOL2 SDF SMILES Flexibase

13412425

Analogs

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Popular Name: (E)-3-[4-[[2-[[5-(p-tolylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]phenyl]prop-2-enoic (E)-3-[4-[[2-[[5-(p-tolylamino)-…

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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)	4.59	9.38	-61.53	2	7	-1	107	425.515	8	↓ MOL2 SDF SMILES Flexibase

13412513

Analogs

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Popular Name: 2-[[2-[[5-[(4-isopropylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]terephthalic 2-[[2-[[5-[(4-isopropylphenyl)am…

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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)	5.61	9.4	-106.39	2	9	-2	147	470.532	9	↓ MOL2 SDF SMILES Flexibase

13412552

Analogs

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Popular Name: (E)-3-[4-[[2-[[5-[(4-isopropylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]phenyl]prop- (E)-3-[4-[[2-[[5-[(4-isopropylph…

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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)	5.66	10.62	-61.17	2	7	-1	107	453.569	9	↓ MOL2 SDF SMILES Flexibase

13413512

Analogs

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Popular Name: 2-[[2-[[5-[(2-methoxy-5-methyl-phenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]terephthali 2-[[2-[[5-[(2-methoxy-5-methyl-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)	4.53	7.63	-106.4	2	10	-2	156	472.504	9	↓ MOL2 SDF SMILES Flexibase

13413560

Analogs

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Popular Name: (E)-3-[4-[[2-[[5-[(2-methoxy-5-methyl-phenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]phen (E)-3-[4-[[2-[[5-[(2-methoxy-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)	4.58	8.9	-61.55	2	8	-1	116	455.541	9	↓ 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

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 = 41530 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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