ZINC 12

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)	2.71	11.46	-10.06	2	8	0	107	423.498	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.71	11.45	-37.62	1	8	-1	109	422.49	9	↓ MOL2 SDF SMILES Flexibase

27315424

Analogs

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Popular Name: 3-cyano-1-[2-[4-[[(5R)-2,4-dioxothiazolidin-5-yl]methyl]phenoxy]ethyl]-1-methyl-2-phenyl-guanidine 3-cyano-1-[2-[4-[[(5R)-2,4-dioxo…

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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)	2.71	11.42	-10.55	2	8	0	107	423.498	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.71	11.4	-39.38	1	8	-1	109	422.49	9	↓ MOL2 SDF SMILES Flexibase

27315662

Analogs

39937161
39937163

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Popular Name: (5S)-5-[[4-[2-[methyl-(4-methyl-2-pyridyl)amino]ethoxy]phenyl]methyl]thiazolidine-2,4-dione (5S)-5-[[4-[2-[methyl-(4-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)	2.75	7.93	-34.96	2	6	1	73	372.47	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.75	7.57	-12.33	1	6	0	72	371.462	7	↓ MOL2 SDF SMILES Flexibase

27315668

Analogs

39937163

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-[[4-[2-[methyl-(4-methyl-2-pyridyl)amino]ethoxy]phenyl]methyl]thiazolidine-2,4-dione (5R)-5-[[4-[2-[methyl-(4-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)	2.75	7.91	-34.76	2	6	1	73	372.47	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.75	7.55	-12.1	1	6	0	72	371.462	7	↓ MOL2 SDF SMILES Flexibase

27315674

Analogs

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Popular Name: (5S)-5-[[4-[2-[methyl-(4-phenylpyrimidin-2-yl)amino]ethoxy]phenyl]methyl]thiazolidine-2,4-dione (5S)-5-[[4-[2-[methyl-(4-phenylp…

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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)	3.85	11.48	-13.43	1	7	0	84	434.521	8	↓ MOL2 SDF SMILES Flexibase

27315680

Analogs

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Popular Name: (5R)-5-[[4-[2-[methyl-(4-phenylpyrimidin-2-yl)amino]ethoxy]phenyl]methyl]thiazolidine-2,4-dione (5R)-5-[[4-[2-[methyl-(4-phenylp…

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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)	3.85	11.43	-13.5	1	7	0	84	434.521	8	↓ MOL2 SDF SMILES Flexibase

27315876

Analogs

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Popular Name: 3-[2-[4-[[(5S)-2,4-dioxothiazolidin-5-yl]methyl]phenoxy]ethyl]-1-(4-methoxyphenyl)urea 3-[2-[4-[[(5S)-2,4-dioxothiazoli…

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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)	2.71	3.82	-19.49	3	8	0	106	415.471	8	↓ MOL2 SDF SMILES Flexibase

27315881

Analogs

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Popular Name: 3-[2-[4-[[(5R)-2,4-dioxothiazolidin-5-yl]methyl]phenoxy]ethyl]-1-(4-methoxyphenyl)urea 3-[2-[4-[[(5R)-2,4-dioxothiazoli…

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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)	2.71	3.78	-19.32	3	8	0	106	415.471	8	↓ MOL2 SDF SMILES Flexibase

27315998

Analogs

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Popular Name: (5S)-5-[[4-[2-(1,3-benzoxazol-2-yl-isopropyl-amino)ethoxy]phenyl]methyl]thiazolidine-2,4-dione (5S)-5-[[4-[2-(1,3-benzoxazol-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)	3.83	7.34	-17.35	1	7	0	85	425.51	8	↓ MOL2 SDF SMILES Flexibase

27316004

Analogs

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Popular Name: (5R)-5-[[4-[2-(1,3-benzoxazol-2-yl-isopropyl-amino)ethoxy]phenyl]methyl]thiazolidine-2,4-dione (5R)-5-[[4-[2-(1,3-benzoxazol-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)	3.83	7.2	-16.03	1	7	0	85	425.51	8	↓ MOL2 SDF SMILES Flexibase

27316307

Analogs

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Popular Name: (5S)-5-[[4-[2-(methyl-pyrazin-2-yl-amino)ethoxy]phenyl]methyl]thiazolidine-2,4-dione (5S)-5-[[4-[2-(methyl-pyrazin-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)	1.66	5.22	-13.49	1	7	0	84	358.423	7	↓ MOL2 SDF SMILES Flexibase

27316313

Analogs

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Popular Name: (5R)-5-[[4-[2-(methyl-pyrazin-2-yl-amino)ethoxy]phenyl]methyl]thiazolidine-2,4-dione (5R)-5-[[4-[2-(methyl-pyrazin-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)	1.66	5.19	-12.9	1	7	0	84	358.423	7	↓ MOL2 SDF SMILES Flexibase

27316824

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-[[4-[2-[(5-amino-2-pyridyl)-methyl-amino]ethoxy]phenyl]methyl]thiazolidine-2,4-dione (5S)-5-[[4-[2-[(5-amino-2-pyridy…

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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	4.94	-13.72	3	7	0	98	372.45	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.00	5.22	-35.04	4	7	1	99	373.458	7	↓ MOL2 SDF SMILES Flexibase

27316829

Analogs

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Popular Name: (5R)-5-[[4-[2-[(5-amino-2-pyridyl)-methyl-amino]ethoxy]phenyl]methyl]thiazolidine-2,4-dione (5R)-5-[[4-[2-[(5-amino-2-pyridy…

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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	4.91	-13.53	3	7	0	98	372.45	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.00	5.19	-34.7	4	7	1	99	373.458	7	↓ MOL2 SDF SMILES Flexibase

52918773

Analogs

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Popular Name: 3-[2-(2-aminophenyl)ethyl]thiazolidine-2,4-dione 3-[2-(2-aminophenyl)ethyl]thiazo…

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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)	1.16	4	-6.79	2	4	0	63	236.296	3	↓ MOL2 SDF SMILES Flexibase

11804308

Analogs

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Popular Name: 3-(2-chloroethyl)thiazolidine-2,4-dione 3-(2-chloroethyl)thiazolidine-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)	0.52	2.85	-6.44	0	3	0	37	179.628	2	↓ MOL2 SDF SMILES Flexibase

11813752

Analogs

11813753

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Popular Name: 3-[2-[(3R)-3-(naphthalene-2-carbonyl)-1-piperidyl]-2-oxo-ethyl]thiazolidine-2,4-dione 3-[2-[(3R)-3-(naphthalene-2-carb…

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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)	2.37	9.69	-16.28	0	6	0	75	396.468	4	↓ MOL2 SDF SMILES Flexibase

11813753

Analogs

11813752

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Popular Name: 3-[2-[(3S)-3-(naphthalene-2-carbonyl)-1-piperidyl]-2-oxo-ethyl]thiazolidine-2,4-dione 3-[2-[(3S)-3-(naphthalene-2-carb…

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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)	2.37	0.13	-15.97	0	6	0	75	396.468	4	↓ MOL2 SDF SMILES Flexibase

19454710

Analogs

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Popular Name: 6-cyclopropyl-N-[2-(2,4-dioxothiazolidin-3-yl)ethyl]-1-isopropyl-pyrazolo[5,4-b]pyridine-4-carboxami 6-cyclopropyl-N-[2-(2,4-dioxothi…

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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)	1.06	6.39	-19.64	1	8	0	97	387.465	6	↓ MOL2 SDF SMILES Flexibase

19864238

Analogs

19864241
36950708
36950709
36950710
36950711

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2R)-2-hydroxy-3-methylamino-propyl]thiazolidine-2,4-dione 3-[(2R)-2-hydroxy-3-methylamino-…

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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)	-0.94	-0.64	-39.36	3	5	1	74	205.259	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.94	-2.21	-8.66	2	5	0	70	204.251	4	↓ MOL2 SDF SMILES Flexibase

19864241

Analogs

36950708
36950709
36950710
36950711
19864238

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Popular Name: 3-[(2S)-2-hydroxy-3-methylamino-propyl]thiazolidine-2,4-dione 3-[(2S)-2-hydroxy-3-methylamino-…

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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)	-0.94	-0.66	-38.84	3	5	1	74	205.259	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.94	-2.16	-7.24	2	5	0	70	204.251	4	↓ MOL2 SDF SMILES Flexibase

11820740

Analogs

11820741

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Popular Name: 3-[2-[(3R)-3-[(3,4-dimethylphenyl)amino]-1-piperidyl]-2-oxo-ethyl]thiazolidine-2,4-dione 3-[2-[(3R)-3-[(3,4-dimethylpheny…

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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)	2.63	7.11	-15.68	1	6	0	70	361.467	4	↓ MOL2 SDF SMILES Flexibase

11820741

Analogs

11820740

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Popular Name: 3-[2-[(3S)-3-[(3,4-dimethylphenyl)amino]-1-piperidyl]-2-oxo-ethyl]thiazolidine-2,4-dione 3-[2-[(3S)-3-[(3,4-dimethylpheny…

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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)	2.63	7.11	-15.86	1	6	0	70	361.467	4	↓ MOL2 SDF SMILES Flexibase

19996836

Analogs

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Popular Name: N-(2-amino-5-chloro-phenyl)-3-(2,4-dioxothiazolidin-3-yl)propanamide N-(2-amino-5-chloro-phenyl)-3-(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)	1.08	2.95	-18.05	3	6	0	93	313.766	4	↓ MOL2 SDF SMILES Flexibase

19999447

Analogs

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Popular Name: N-(5-amino-2-methoxy-phenyl)-3-(2,4-dioxothiazolidin-3-yl)propanamide N-(5-amino-2-methoxy-phenyl)-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)	0.05	1.54	-14.73	3	7	0	102	309.347	5	↓ MOL2 SDF SMILES Flexibase

20000264

Analogs

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Popular Name: N-(2-amino-5-chloro-phenyl)-4-(2,4-dioxothiazolidin-3-yl)butanamide N-(2-amino-5-chloro-phenyl)-4-(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)	1.35	3.76	-20.36	3	6	0	93	327.793	5	↓ MOL2 SDF SMILES Flexibase

11998749

Analogs

11998751

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-oxo-2-[(3R)-3-[4-(trifluoromethyl)benzoyl]-1-piperidyl]ethyl]thiazolidine-2,4-dione 3-[2-oxo-2-[(3R)-3-[4-(trifluoro…

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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)	2.08	8.43	-14.53	0	6	0	75	414.405	5	↓ MOL2 SDF SMILES Flexibase

11998751

Analogs

11998749

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Popular Name: 3-[2-oxo-2-[(3S)-3-[4-(trifluoromethyl)benzoyl]-1-piperidyl]ethyl]thiazolidine-2,4-dione 3-[2-oxo-2-[(3S)-3-[4-(trifluoro…

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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)	2.08	2.17	-14.22	0	6	0	75	414.405	5	↓ MOL2 SDF SMILES Flexibase

12022812

Analogs

12022816

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Popular Name: 3-[2-[(1S)-1-(2,5-difluorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-oxo-ethyl]thiazolidin 3-[2-[(1S)-1-(2,5-difluorophenyl…

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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	0.38	-15.72	1	6	0	73	441.459	3	↓ MOL2 SDF SMILES Flexibase

12022816

Analogs

12022812

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Popular Name: 3-[2-[(1R)-1-(2,5-difluorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-oxo-ethyl]thiazolidin 3-[2-[(1R)-1-(2,5-difluorophenyl…

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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	0.39	-15.8	1	6	0	73	441.459	3	↓ MOL2 SDF SMILES Flexibase

12028913

Analogs

12028914

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Popular Name: 3-[2-[(1S)-1-(4-ethylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-oxo-ethyl]thiazolidine-2,4 3-[2-[(1S)-1-(4-ethylphenyl)-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)	3.79	-0.5	-15.51	1	6	0	73	433.533	4	↓ MOL2 SDF SMILES Flexibase

12028914

Analogs

12028913

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Popular Name: 3-[2-[(1R)-1-(4-ethylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-oxo-ethyl]thiazolidine-2,4 3-[2-[(1R)-1-(4-ethylphenyl)-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)	3.79	-0.5	-15.55	1	6	0	73	433.533	4	↓ MOL2 SDF SMILES Flexibase

36334963

Analogs

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Popular Name: N-[2-(2,4-dioxothiazolidin-3-yl)ethyl]prop-2-enamide N-[2-(2,4-dioxothiazolidin-3-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)	-0.33	1.14	-13.47	1	5	0	66	214.246	4	↓ MOL2 SDF SMILES Flexibase

12219799

Analogs

12219800

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Popular Name: (2R)-2-(2,4-dioxothiazolidin-3-yl)-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)prop (2R)-2-(2,4-dioxothiazolidin-3-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)	0.85	-1.92	-26.84	1	8	0	97	377.451	3	↓ MOL2 SDF SMILES Flexibase

12219800

Analogs

12219799

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(2,4-dioxothiazolidin-3-yl)-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)prop (2S)-2-(2,4-dioxothiazolidin-3-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)	0.85	-1.92	-26.85	1	8	0	97	377.451	3	↓ MOL2 SDF SMILES Flexibase

36635185

Analogs

2707643
2707645

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Popular Name: 2-[(5S)-2,4-dioxo-3-(p-tolyl)thiazolidin-5-yl]acetic 2-[(5S)-2,4-dioxo-3-(p-tolyl)thi…

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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)	1.57	6.7	-41.88	0	5	-1	78	264.282	3	↓ MOL2 SDF SMILES Flexibase

36635186

Analogs

2707643
2707645

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5R)-2,4-dioxo-3-(p-tolyl)thiazolidin-5-yl]acetic 2-[(5R)-2,4-dioxo-3-(p-tolyl)thi…

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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)	1.57	6.7	-41.91	0	5	-1	78	264.282	3	↓ MOL2 SDF SMILES Flexibase

36635187

Analogs

1317932

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Popular Name: 2-[(5S)-3-(m-tolyl)-2,4-dioxo-thiazolidin-5-yl]acetic 2-[(5S)-3-(m-tolyl)-2,4-dioxo-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)	1.54	6.7	-42.15	0	5	-1	78	264.282	3	↓ MOL2 SDF SMILES Flexibase

36635188

Analogs

1317932

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5R)-3-(m-tolyl)-2,4-dioxo-thiazolidin-5-yl]acetic 2-[(5R)-3-(m-tolyl)-2,4-dioxo-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)	1.54	6.7	-42.2	0	5	-1	78	264.282	3	↓ MOL2 SDF SMILES Flexibase

36635189

Analogs

1317932

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5S)-3-(o-tolyl)-2,4-dioxo-thiazolidin-5-yl]acetic 2-[(5S)-3-(o-tolyl)-2,4-dioxo-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)	1.52	7.07	-42.48	0	5	-1	78	264.282	3	↓ MOL2 SDF SMILES Flexibase

36635190

Analogs

1317932

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5R)-3-(o-tolyl)-2,4-dioxo-thiazolidin-5-yl]acetic 2-[(5R)-3-(o-tolyl)-2,4-dioxo-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)	1.52	7.07	-42.49	0	5	-1	78	264.282	3	↓ MOL2 SDF SMILES Flexibase

36635191

Analogs

1317933

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5S)-3-(2,3-dimethylphenyl)-2,4-dioxo-thiazolidin-5-yl]acetic 2-[(5S)-3-(2,3-dimethylphenyl)-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)	1.92	7.64	-42.57	0	5	-1	78	278.309	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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

SQL Query Was

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