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ZINC Item

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49627939

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)phenyl]prop-2-enoic (E)-3-[2-(1,3,4-thiadiazol-2-yls…

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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)	2.59	7.45	-56.12	0	4	-1	66	277.35	5	↓ MOL2 SDF SMILES Flexibase

49627940

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)phenyl]prop-2-enoic (E)-3-[4-(1,3,4-thiadiazol-2-yls…

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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)	2.82	7.61	-52.19	0	4	-1	66	277.35	5	↓ MOL2 SDF SMILES Flexibase

49627941

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[4-methoxy-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)phenyl]prop-2-enoic (E)-3-[4-methoxy-3-(1,3,4-thiadi…

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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)	2.80	6.97	-53.28	0	5	-1	75	307.376	6	↓ MOL2 SDF SMILES Flexibase

49627942

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[2-methoxy-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)phenyl]prop-2-enoic (E)-3-[2-methoxy-5-(1,3,4-thiadi…

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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)	2.62	6.96	-58.25	0	5	-1	75	307.376	6	↓ MOL2 SDF SMILES Flexibase

49627943

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[3-fluoro-4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)phenyl]prop-2-enoic (E)-3-[3-fluoro-4-(1,3,4-thiadia…

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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)	2.91	7.62	-51.75	0	4	-1	66	295.34	5	↓ MOL2 SDF SMILES Flexibase

49627944

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)phenyl]prop-2-enoic (E)-3-[3-(1,3,4-thiadiazol-2-yls…

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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)	2.79	7.6	-52.95	0	4	-1	66	277.35	5	↓ MOL2 SDF SMILES Flexibase

49627945

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[5-fluoro-2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)phenyl]prop-2-enoic (E)-3-[5-fluoro-2-(1,3,4-thiadia…

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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	7.52	-54.07	0	4	-1	66	295.34	5	↓ MOL2 SDF SMILES Flexibase

49627946

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[2-fluoro-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)phenyl]prop-2-enoic (E)-3-[2-fluoro-5-(1,3,4-thiadia…

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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	7.64	-54.83	0	4	-1	66	295.34	5	↓ MOL2 SDF SMILES Flexibase

49628066

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]phenyl]prop-2-enoic (E)-3-[2-[(5-methyl-1,3,4-thiadi…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.31	8.2	-56.79	0	4	-1	66	291.377	5	↓ MOL2 SDF SMILES Flexibase

49628067

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]phenyl]prop-2-enoic (E)-3-[4-[(5-methyl-1,3,4-thiadi…

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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)	2.53	8.35	-52.34	0	4	-1	66	291.377	5	↓ MOL2 SDF SMILES Flexibase

49628068

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[4-methoxy-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]phenyl]prop-2-enoic (E)-3-[4-methoxy-3-[(5-methyl-1,…

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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)	2.52	7.7	-53.58	0	5	-1	75	321.403	6	↓ MOL2 SDF SMILES Flexibase

49628069

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[2-methoxy-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]phenyl]prop-2-enoic (E)-3-[2-methoxy-5-[(5-methyl-1,…

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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)	2.34	7.7	-58.47	0	5	-1	75	321.403	6	↓ MOL2 SDF SMILES Flexibase

49628070

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[3-fluoro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]phenyl]prop-2-enoic (E)-3-[3-fluoro-4-[(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)	2.62	8.37	-51.88	0	4	-1	66	309.367	5	↓ MOL2 SDF SMILES Flexibase

49628071

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]phenyl]prop-2-enoic (E)-3-[3-[(5-methyl-1,3,4-thiadi…

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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)	2.51	8.34	-53.11	0	4	-1	66	291.377	5	↓ MOL2 SDF SMILES Flexibase

49628072

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[5-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]phenyl]prop-2-enoic (E)-3-[5-fluoro-2-[(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)	2.44	8.27	-54.64	0	4	-1	66	309.367	5	↓ MOL2 SDF SMILES Flexibase

49628073

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[2-fluoro-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]phenyl]prop-2-enoic (E)-3-[2-fluoro-5-[(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)	2.44	8.38	-55	0	4	-1	66	309.367	5	↓ MOL2 SDF SMILES Flexibase

7723259

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3,3-dimethyl-butanamide N-[5-[(2-fluorophenyl)methylsulf…

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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)	4.24	0.81	-14.92	1	4	0	54	339.461	6	↓ MOL2 SDF SMILES Flexibase

11541460

Analogs

7076565

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-4-[(5-methylamino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzonitrile 3-fluoro-4-[(5-methylamino-1,3,4…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.67	0.64	-11.64	1	4	0	62	280.353	4	↓ MOL2 SDF SMILES Flexibase

53611457

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-methyl-2-phenyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine (2R)-N-methyl-2-phenyl-2-(1,3,4-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.62	5.57	-37.15	2	3	1	42	252.388	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.62	4.22	-6.48	1	3	0	38	251.38	5	↓ MOL2 SDF SMILES Flexibase

53611460

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-methyl-2-phenyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine (2S)-N-methyl-2-phenyl-2-(1,3,4-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.62	5.53	-37.19	2	3	1	42	252.388	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.62	4.19	-6.74	1	3	0	38	251.38	5	↓ MOL2 SDF SMILES Flexibase

53622932

Analogs

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.33	6.32	-36.77	2	3	1	42	266.415	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.33	4.93	-7.13	1	3	0	38	265.407	5	↓ MOL2 SDF SMILES Flexibase

53622933

Analogs

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.33	6.27	-36.85	2	3	1	42	266.415	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.33	4.96	-6.62	1	3	0	38	265.407	5	↓ MOL2 SDF SMILES Flexibase

36874335

Analogs

7248869

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(5-chloro-2-methoxy-phenyl)methylsulfanyl]-N-(2-methoxyethyl)-1,3,4-thiadiazol-2-amine 5-[(5-chloro-2-methoxy-phenyl)me…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.48	5.57	-9.32	1	5	0	56	345.877	8	↓ MOL2 SDF SMILES Flexibase

36874416

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2-bromophenyl)methylsulfanyl]-N-isobutyl-1,3,4-thiadiazol-2-amine 5-[(2-bromophenyl)methylsulfanyl…

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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	8.61	-7.77	1	3	0	38	358.33	6	↓ MOL2 SDF SMILES Flexibase

36964863

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)aniline 4-chloro-3-(1,3,4-thiadiazol-2-y…

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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)	2.53	4.05	-8.28	2	3	0	52	257.771	3	↓ MOL2 SDF SMILES Flexibase

37066036

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethoxy-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)aniline 4-ethoxy-3-(1,3,4-thiadiazol-2-y…

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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)	2.28	3.91	-9.04	2	4	0	61	267.379	5	↓ MOL2 SDF SMILES Flexibase

68860485

Analogs

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Popular Name: 2-methylsulfanyl-5-[(3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazole 2-methylsulfanyl-5-[(3-nitrophen…

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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	7.43	-11.32	0	5	0	72	299.402	5	↓ MOL2 SDF SMILES Flexibase

57734136

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-N-(5-methoxypentyl)oxamide N'-(5-benzylsulfanyl-1,3,4-thiad…

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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)	2.29	5.93	-11.35	2	7	0	93	394.522	11	↓ MOL2 SDF SMILES Flexibase

57930459

Analogs

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Popular Name: 2-butylsulfanyl-5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazole 2-butylsulfanyl-5-[(4-methoxyphe…

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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)	5.06	8.48	-6.87	0	3	0	35	326.512	8	↓ MOL2 SDF SMILES Flexibase

14013646

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[5-(2-diethylamino-2-oxo-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzamide 4-[[5-(2-diethylamino-2-oxo-ethy…

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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)	2.49	5.86	-15.95	2	6	0	89	396.563	9	↓ MOL2 SDF SMILES Flexibase

68889137

Analogs

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Popular Name: 2-[[5-(m-tolylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide 2-[[5-(m-tolylmethylsulfanyl)-1,…

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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	4.34	-10.32	2	4	0	69	311.457	6	↓ MOL2 SDF SMILES Flexibase

68889138

Analogs

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Popular Name: 2-[[5-[(3,5-dimethylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide 2-[[5-[(3,5-dimethylphenyl)methy…

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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	5	-10.34	2	4	0	69	325.484	6	↓ MOL2 SDF SMILES Flexibase

14561968

Analogs

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Popular Name: 5-[[2-(difluoromethoxy)phenyl]methylsulfanyl]-N-isopropyl-1,3,4-thiadiazol-2-amine 5-[[2-(difluoromethoxy)phenyl]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)	4.07	7.02	-10.36	1	4	0	47	331.413	7	↓ MOL2 SDF SMILES Flexibase

14562328

Analogs

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Popular Name: N-allyl-5-[[2-(difluoromethoxy)phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-amine N-allyl-5-[[2-(difluoromethoxy)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)	4.04	6.8	-9.96	1	4	0	47	329.397	8	↓ MOL2 SDF SMILES Flexibase

14581677

Analogs

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Popular Name: N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-methylsulfanyl-acetamide N-[5-[(4-fluorophenyl)methylsulf…

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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	7.37	-17.13	1	4	0	55	329.447	6	↓ MOL2 SDF SMILES Flexibase

15699369

Analogs

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Popular Name: 5-[(5-chloro-2-methoxy-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine 5-[(5-chloro-2-methoxy-phenyl)me…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.12	4.7	-9.31	2	4	0	61	287.797	4	↓ MOL2 SDF SMILES Flexibase

15699471

Analogs

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Popular Name: 5-[(3-bromo-4-methoxy-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine 5-[(3-bromo-4-methoxy-phenyl)met…

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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)	3.25	4.79	-10	2	4	0	61	332.248	4	↓ MOL2 SDF SMILES Flexibase

69487344

Analogs

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Popular Name: 5-[(2-isopropoxy-5-nitro-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine 5-[(2-isopropoxy-5-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)	3.14	6.45	-11.92	2	7	0	107	326.403	6	↓ MOL2 SDF SMILES Flexibase

69491767

Analogs

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Popular Name: 2-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]sulfanyl-1,3,4-thiadiazole 2-[(1S)-1-[4-(trifluoromethyl)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)	4.11	7.4	-7.14	0	2	0	26	290.335	4	↓ MOL2 SDF SMILES Flexibase

69491769

Analogs

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Popular Name: 2-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]sulfanyl-1,3,4-thiadiazole 2-[(1R)-1-[4-(trifluoromethyl)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)	4.11	7.4	-7.12	0	2	0	26	290.335	4	↓ MOL2 SDF SMILES Flexibase

54914108

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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)	2.60	4.65	-15.18	2	7	0	93	352.441	7	↓ MOL2 SDF SMILES Flexibase

69522369

Analogs

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Popular Name: N-(2-methoxyethyl)-5-(m-tolylmethylsulfanyl)-1,3,4-thiadiazol-2-amine N-(2-methoxyethyl)-5-(m-tolylmet…

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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	6.36	-8.02	1	4	0	47	295.433	7	↓ MOL2 SDF SMILES Flexibase

55019513

Analogs

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Popular Name: (3R)-3-phenyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine (3R)-3-phenyl-3-(1,3,4-thiadiazo…

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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)	1.91	4.39	-52.26	3	3	1	53	252.388	5	↓ MOL2 SDF SMILES Flexibase

55019515

Analogs

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Popular Name: (3S)-3-phenyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine (3S)-3-phenyl-3-(1,3,4-thiadiazo…

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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)	1.91	4.39	-52.27	3	3	1	53	252.388	5	↓ MOL2 SDF SMILES Flexibase

55019543

Analogs

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Popular Name: (3S)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-phenyl-propan-1-amine (3S)-3-[(5-methyl-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)	1.62	5.13	-52.37	3	3	1	53	266.415	5	↓ MOL2 SDF SMILES Flexibase

55019544

Analogs

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Popular Name: (3R)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-phenyl-propan-1-amine (3R)-3-[(5-methyl-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)	1.62	5.13	-52.33	3	3	1	53	266.415	5	↓ MOL2 SDF SMILES Flexibase

55022508

Analogs

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Popular Name: (3R)-3-phenyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propanenitrile (3R)-3-phenyl-3-(1,3,4-thiadiazo…

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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)	2.29	6.75	-11.84	0	3	0	50	247.348	4	↓ MOL2 SDF SMILES Flexibase

55022510

Analogs

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Popular Name: (3S)-3-phenyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propanenitrile (3S)-3-phenyl-3-(1,3,4-thiadiazo…

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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)	2.29	6.75	-11.81	0	3	0	50	247.348	4	↓ MOL2 SDF SMILES Flexibase

55022828

Analogs

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Popular Name: (3S)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-phenyl-propanenitrile (3S)-3-[(5-methyl-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)	2.00	7.49	-12.05	0	3	0	50	261.375	4	↓ MOL2 SDF SMILES Flexibase

55022829

Analogs

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Popular Name: (3R)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-phenyl-propanenitrile (3R)-3-[(5-methyl-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)	2.00	7.49	-12.09	0	3	0	50	261.375	4	↓ MOL2 SDF SMILES Flexibase

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