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ZINC Item

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49627949

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[2-[(4-methylthiazol-2-yl)sulfanylmethyl]phenyl]prop-2-enoic (E)-3-[2-[(4-methylthiazol-2-yl)…

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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	8.86	-55.33	0	3	-1	53	290.389	5	↓ MOL2 SDF SMILES Flexibase

49627950

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[4-[(4-methylthiazol-2-yl)sulfanylmethyl]phenyl]prop-2-enoic (E)-3-[4-[(4-methylthiazol-2-yl)…

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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)	3.38	9.01	-52.62	0	3	-1	53	290.389	5	↓ MOL2 SDF SMILES Flexibase

49627951

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[4-methoxy-3-[(4-methylthiazol-2-yl)sulfanylmethyl]phenyl]prop-2-enoic (E)-3-[4-methoxy-3-[(4-methylthi…

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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	8.37	-53.38	0	4	-1	62	320.415	6	↓ MOL2 SDF SMILES Flexibase

49627952

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[2-methoxy-5-[(4-methylthiazol-2-yl)sulfanylmethyl]phenyl]prop-2-enoic (E)-3-[2-methoxy-5-[(4-methylthi…

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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)	3.18	8.36	-58.51	0	4	-1	62	320.415	6	↓ MOL2 SDF SMILES Flexibase

49627953

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[3-fluoro-4-[(4-methylthiazol-2-yl)sulfanylmethyl]phenyl]prop-2-enoic (E)-3-[3-fluoro-4-[(4-methylthia…

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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)	3.47	9.03	-51.98	0	3	-1	53	308.379	5	↓ MOL2 SDF SMILES Flexibase

49627954

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[3-[(4-methylthiazol-2-yl)sulfanylmethyl]phenyl]prop-2-enoic (E)-3-[3-[(4-methylthiazol-2-yl)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.35	8.99	-53.26	0	3	-1	53	290.389	5	↓ MOL2 SDF SMILES Flexibase

49627955

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[5-fluoro-2-[(4-methylthiazol-2-yl)sulfanylmethyl]phenyl]prop-2-enoic (E)-3-[5-fluoro-2-[(4-methylthia…

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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)	3.29	8.93	-53.57	0	3	-1	53	308.379	5	↓ MOL2 SDF SMILES Flexibase

49627956

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[2-fluoro-5-[(4-methylthiazol-2-yl)sulfanylmethyl]phenyl]prop-2-enoic (E)-3-[2-fluoro-5-[(4-methylthia…

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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)	3.29	9.04	-55.18	0	3	-1	53	308.379	5	↓ MOL2 SDF SMILES Flexibase

49628103

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[2-(thiazol-2-ylsulfanylmethyl)phenyl]prop-2-enoic (E)-3-[2-(thiazol-2-ylsulfanylme…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.93	8.32	-54.67	0	3	-1	53	276.362	5	↓ MOL2 SDF SMILES Flexibase

49628104

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[4-(thiazol-2-ylsulfanylmethyl)phenyl]prop-2-enoic (E)-3-[4-(thiazol-2-ylsulfanylme…

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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)	3.16	8.47	-50.17	0	3	-1	53	276.362	5	↓ MOL2 SDF SMILES Flexibase

49628105

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[4-methoxy-3-(thiazol-2-ylsulfanylmethyl)phenyl]prop-2-enoic (E)-3-[4-methoxy-3-(thiazol-2-yl…

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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	7.83	-51.75	0	4	-1	62	306.388	6	↓ MOL2 SDF SMILES Flexibase

49628106

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[2-methoxy-5-(thiazol-2-ylsulfanylmethyl)phenyl]prop-2-enoic (E)-3-[2-methoxy-5-(thiazol-2-yl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.96	7.82	-56.4	0	4	-1	62	306.388	6	↓ MOL2 SDF SMILES Flexibase

49628107

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[3-fluoro-4-(thiazol-2-ylsulfanylmethyl)phenyl]prop-2-enoic (E)-3-[3-fluoro-4-(thiazol-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)	3.25	8.49	-49.89	0	3	-1	53	294.352	5	↓ MOL2 SDF SMILES Flexibase

49628108

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[3-(thiazol-2-ylsulfanylmethyl)phenyl]prop-2-enoic (E)-3-[3-(thiazol-2-ylsulfanylme…

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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	8.46	-51.04	0	3	-1	53	276.362	5	↓ MOL2 SDF SMILES Flexibase

49628109

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[5-fluoro-2-(thiazol-2-ylsulfanylmethyl)phenyl]prop-2-enoic (E)-3-[5-fluoro-2-(thiazol-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)	3.07	8.39	-52.34	0	3	-1	53	294.352	5	↓ MOL2 SDF SMILES Flexibase

49628110

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[2-fluoro-5-(thiazol-2-ylsulfanylmethyl)phenyl]prop-2-enoic (E)-3-[2-fluoro-5-(thiazol-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)	3.07	8.5	-52.73	0	3	-1	53	294.352	5	↓ MOL2 SDF SMILES Flexibase

53299863

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-methyl-2-[(2,4,6-trimethylphenyl)methylsulfanyl]thiazol-5-yl]acetic 2-[4-methyl-2-[(2,4,6-trimethylp…

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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)	4.27	10.39	-45.05	0	3	-1	53	320.459	5	↓ MOL2 SDF SMILES Flexibase

53327281

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-amino-1-methyl-2-oxo-ethyl]-4-[(4-methylthiazol-2-yl)sulfanylmethyl]benzamide N-[(1S)-2-amino-1-methyl-2-oxo-e…

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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)	2.22	3.28	-14.63	3	5	0	85	335.454	6	↓ MOL2 SDF SMILES Flexibase

53327288

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-amino-1-methyl-2-oxo-ethyl]-4-[(4-methylthiazol-2-yl)sulfanylmethyl]benzamide N-[(1R)-2-amino-1-methyl-2-oxo-e…

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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)	2.22	3.28	-14.81	3	5	0	85	335.454	6	↓ MOL2 SDF SMILES Flexibase

20005373

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-methyl-2-[(4-nitrophenyl)methylsulfanyl]thiazol-5-yl]acetic 2-[4-methyl-2-[(4-nitrophenyl)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)	3.03	8.49	-48.02	0	6	-1	99	323.375	6	↓ MOL2 SDF SMILES Flexibase

36330076

Analogs

36719033

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-methylpropyl]-4-[(4-methylthiazol-2-yl)sulfanylmethyl]benzamide N-[(1R)-1-methylpropyl]-4-[(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)	3.81	8.04	-12.8	1	3	0	42	320.483	6	↓ MOL2 SDF SMILES Flexibase

36330077

Analogs

36719033

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-methylpropyl]-4-[(4-methylthiazol-2-yl)sulfanylmethyl]benzamide N-[(1S)-1-methylpropyl]-4-[(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)	3.81	8.04	-12.76	1	3	0	42	320.483	6	↓ MOL2 SDF SMILES Flexibase

53611931

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-methyl-2-(4-methylthiazol-2-yl)sulfanyl-2-phenyl-ethanamine (2R)-N-methyl-2-(4-methylthiazol…

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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)	3.18	6.79	-45.03	2	2	1	29	265.427	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.18	5.41	-7.09	1	2	0	25	264.419	5	↓ MOL2 SDF SMILES Flexibase

53611934

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-methyl-2-(4-methylthiazol-2-yl)sulfanyl-2-phenyl-ethanamine (2S)-N-methyl-2-(4-methylthiazol…

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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)	3.18	6.76	-44.82	2	2	1	29	265.427	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.18	5.34	-6.38	1	2	0	25	264.419	5	↓ MOL2 SDF SMILES Flexibase

53647038

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-methyl-2-phenyl-2-thiazol-2-ylsulfanyl-ethanamine (2R)-N-methyl-2-phenyl-2-thiazol…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.96	6.56	-34.72	2	2	1	29	251.4	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.96	5.22	-4.53	1	2	0	25	250.392	5	↓ MOL2 SDF SMILES Flexibase

53647039

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-methyl-2-phenyl-2-thiazol-2-ylsulfanyl-ethanamine (2S)-N-methyl-2-phenyl-2-thiazol…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.96	6.5	-34.66	2	2	1	29	251.4	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.96	5.11	-4.52	1	2	0	25	250.392	5	↓ MOL2 SDF SMILES Flexibase

36964782

Analogs

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Popular Name: 2-chloro-5-[(4-methylthiazol-2-yl)sulfanylmethyl]aniline 2-chloro-5-[(4-methylthiazol-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)	3.50	5.59	-7.33	2	2	0	39	270.81	3	↓ MOL2 SDF SMILES Flexibase

36964982

Analogs

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Popular Name: 2-[(4-chloro-3-nitro-phenyl)methylsulfanyl]-4-methyl-thiazole 2-[(4-chloro-3-nitro-phenyl)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)	3.97	8.23	-12.58	0	4	0	59	300.792	4	↓ MOL2 SDF SMILES Flexibase

36970602

Analogs

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Popular Name: 2-[2-[(2-ethoxyphenyl)methylsulfanyl]-4-methyl-thiazol-5-yl]acetic 2-[2-[(2-ethoxyphenyl)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)	3.46	8.96	-48.11	0	4	-1	62	322.431	7	↓ MOL2 SDF SMILES Flexibase

36970652

Analogs

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Popular Name: 2-[2-[(2-methoxyphenyl)methylsulfanyl]-4-methyl-thiazol-5-yl]acetic 2-[2-[(2-methoxyphenyl)methylsul…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.08	8.04	-47.97	0	4	-1	62	308.404	6	↓ MOL2 SDF SMILES Flexibase

37066040

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethoxy-3-[(4-methylthiazol-2-yl)sulfanylmethyl]aniline 4-ethoxy-3-[(4-methylthiazol-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)	2.84	5.31	-8.6	2	3	0	48	280.418	5	↓ MOL2 SDF SMILES Flexibase

13414359

Analogs

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Popular Name: 2-[2-[(4-cyanophenyl)methylsulfanyl]thiazol-4-yl]acetic 2-[2-[(4-cyanophenyl)methylsulfa…

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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	7.5	-56.98	0	4	-1	77	289.361	5	↓ MOL2 SDF SMILES Flexibase

13414362

Analogs

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Popular Name: 2-[2-[(4-nitrophenyl)methylsulfanyl]thiazol-4-yl]acetic 2-[2-[(4-nitrophenyl)methylsulfa…

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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)	2.81	7.77	-57.35	0	6	-1	99	309.348	6	↓ MOL2 SDF SMILES Flexibase

13414365

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(benzylthio)-1,3-thiazol-4-yl]acetic acid [2-(benzylthio)-1,3-thiazol-4-yl…

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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)	2.85	7.09	-55.25	0	3	-1	53	264.351	5	↓ MOL2 SDF SMILES Flexibase

13414368

Analogs

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Popular Name: 2-[2-[(4-bromophenyl)methylsulfanyl]thiazol-4-yl]acetic 2-[2-[(4-bromophenyl)methylsulfa…

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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)	3.66	7.73	-54.45	0	3	-1	53	343.247	5	↓ MOL2 SDF SMILES Flexibase

13414371

Analogs

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Popular Name: {2-[(3-chlorobenzyl)thio]-1,3-thiazol-4-yl}acetic acid {2-[(3-chlorobenzyl)thio]-1,3-th…

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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	7.61	-54.81	0	3	-1	53	298.796	5	↓ MOL2 SDF SMILES Flexibase

13414374

Analogs

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Popular Name: {2-[(2-chlorobenzyl)thio]-1,3-thiazol-4-yl}acetic acid {2-[(2-chlorobenzyl)thio]-1,3-th…

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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	7.53	-56.74	0	3	-1	53	298.796	5	↓ MOL2 SDF SMILES Flexibase

13414376

Analogs

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Popular Name: 2-[2-[(2,4-dichlorophenyl)methylsulfanyl]thiazol-4-yl]acetic 2-[2-[(2,4-dichlorophenyl)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)	4.13	8.03	-54.16	0	3	-1	53	333.241	5	↓ MOL2 SDF SMILES Flexibase

13414379

Analogs

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Popular Name: 2-[2-[(3,4-dichlorophenyl)methylsulfanyl]thiazol-4-yl]acetic 2-[2-[(3,4-dichlorophenyl)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)	4.13	8.07	-55.23	0	3	-1	53	333.241	5	↓ MOL2 SDF SMILES Flexibase

13414380

Analogs

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Popular Name: 2-[2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]thiazol-4-yl]acetic 2-[2-[(2-chloro-6-fluoro-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)	3.59	7.56	-57.36	0	3	-1	53	316.786	5	↓ MOL2 SDF SMILES Flexibase

13414383

Analogs

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Popular Name: 2-[2-[(2,6-dichlorophenyl)methylsulfanyl]thiazol-4-yl]acetic 2-[2-[(2,6-dichlorophenyl)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)	4.11	7.95	-56.5	0	3	-1	53	333.241	5	↓ MOL2 SDF SMILES Flexibase

13414395

Analogs

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Popular Name: 2-[2-[(3-nitrophenyl)methylsulfanyl]thiazol-4-yl]acetic 2-[2-[(3-nitrophenyl)methylsulfa…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.78	7.77	-58.61	0	6	-1	99	309.348	6	↓ MOL2 SDF SMILES Flexibase

13414905

Analogs

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Popular Name: 2-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]thiazol-4-yl]acetic 2-[2-[[3-(trifluoromethyl)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)	3.72	8.11	-55.49	0	3	-1	53	332.348	6	↓ MOL2 SDF SMILES Flexibase

13415187

Analogs

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Popular Name: (2-((4-methylbenzyl)thio)-1,3-thiazol-4-yl)acetic acid (2-((4-methylbenzyl)thio)-1,3-th…

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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)	3.30	7.78	-55.28	0	3	-1	53	278.378	5	↓ MOL2 SDF SMILES Flexibase

13415213

Analogs

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Popular Name: 2-[2-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]thiazol-4-yl]acetic 2-[2-[(5-acetyl-2-methoxy-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)	2.73	6.86	-59.32	0	5	-1	79	336.414	7	↓ MOL2 SDF SMILES Flexibase

13415411

Analogs

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Popular Name: 2-[2-[(2-chloro-4-fluoro-phenyl)methylsulfanyl]thiazol-4-yl]acetic 2-[2-[(2-chloro-4-fluoro-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)	3.62	7.59	-54.41	0	3	-1	53	316.786	5	↓ MOL2 SDF SMILES Flexibase

13415435

Analogs

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Popular Name: 2-[2-[(3-fluorophenyl)methylsulfanyl]thiazol-4-yl]acetic 2-[2-[(3-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)	2.99	7.17	-55.24	0	3	-1	53	282.341	5	↓ MOL2 SDF SMILES Flexibase

13415513

Analogs

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Popular Name: 2-[2-[(5-acetyl-2-ethoxy-phenyl)methylsulfanyl]thiazol-4-yl]acetic 2-[2-[(5-acetyl-2-ethoxy-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)	3.11	7.81	-63.73	0	5	-1	79	350.441	8	↓ MOL2 SDF SMILES Flexibase

13415969

Analogs

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Popular Name: {2-[(2,5-dimethylbenzyl)thio]-1,3-thiazol-4-yl}acetic acid {2-[(2,5-dimethylbenzyl)thio]-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)	3.67	8.31	-55.25	0	3	-1	53	292.405	5	↓ MOL2 SDF SMILES Flexibase

13416037

Analogs

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Popular Name: 2-[2-[(2-methoxyphenyl)methylsulfanyl]thiazol-4-yl]acetic 2-[2-[(2-methoxyphenyl)methylsul…

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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)	2.86	6.47	-57.72	0	4	-1	62	294.377	6	↓ MOL2 SDF SMILES Flexibase

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Structural Results Found: (before additional filtering)

SQL Query Was

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