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)	1.58	2.92	-16.85	2	6	0	79	333.822	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.58	2.99	-48.45	1	6	-1	81	332.814	3	↓ MOL2 SDF SMILES Flexibase

44993305

Analogs

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Popular Name: N-[2-chloro-4-[(4S)-4-methyl-5-oxo-2-thioxo-imidazolidin-1-yl]phenyl]methanesulfonamide N-[2-chloro-4-[(4S)-4-methyl-5-o…

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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)	1.58	2.92	-16.8	2	6	0	79	333.822	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.58	2.99	-48.49	1	6	-1	81	332.814	3	↓ MOL2 SDF SMILES Flexibase

60322211

Analogs

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Popular Name: 3-[4-(diethylamino)-2-methyl-phenyl]-2-thioxo-imidazolidin-4-one 3-[4-(diethylamino)-2-methyl-phe…

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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)	2.64	8.36	-56.05	2	4	0	37	278.401	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.64	8.26	-15.02	1	4	0	36	277.393	4	↓ MOL2 SDF SMILES Flexibase

1381970

Analogs

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Popular Name: 2-thioxo-3-[4-(trifluoromethyl)phenyl]tetrahydro-4H-imidazol-4-one 2-thioxo-3-[4-(trifluoromethyl)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)	2.31	-0.04	-14.17	1	3	0	32	260.24	2	↓ MOL2 SDF SMILES Flexibase

14235651

Analogs

14235654

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Popular Name: (5S)-5-methyl-3-(3-methylsulfanylphenyl)-2-thioxo-imidazolidin-4-one (5S)-5-methyl-3-(3-methylsulfany…

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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)	2.15	6.67	-14.47	1	3	0	32	252.364	2	↓ MOL2 SDF SMILES Flexibase

14235654

Analogs

14235651

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Popular Name: (5R)-5-methyl-3-(3-methylsulfanylphenyl)-2-thioxo-imidazolidin-4-one (5R)-5-methyl-3-(3-methylsulfany…

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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)	2.15	6.67	-13.9	1	3	0	32	252.364	2	↓ MOL2 SDF SMILES Flexibase

64550004

Analogs

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Popular Name: 2-chloro-4-(4,4-dimethyl-5-oxo-2-thioxo-imidazolidin-1-yl)benzonitrile 2-chloro-4-(4,4-dimethyl-5-oxo-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)	2.58	7.06	-12.87	1	4	0	56	279.752	1	↓ MOL2 SDF SMILES Flexibase

67256093

Analogs

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Popular Name: 4-[(4S)-4-methyl-5-oxo-2-thioxo-imidazolidin-1-yl]-N-[(1R)-1-methylpropyl]benzamide 4-[(4S)-4-methyl-5-oxo-2-thioxo-…

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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)	2.15	6.55	-16.68	2	5	0	61	305.403	4	↓ MOL2 SDF SMILES Flexibase

67256096

Analogs

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Popular Name: 4-[(4S)-4-methyl-5-oxo-2-thioxo-imidazolidin-1-yl]-N-[(1S)-1-methylpropyl]benzamide 4-[(4S)-4-methyl-5-oxo-2-thioxo-…

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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)	2.15	6.55	-16.62	2	5	0	61	305.403	4	↓ MOL2 SDF SMILES Flexibase

67256099

Analogs

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Popular Name: 4-[(4R)-4-methyl-5-oxo-2-thioxo-imidazolidin-1-yl]-N-[(1R)-1-methylpropyl]benzamide 4-[(4R)-4-methyl-5-oxo-2-thioxo-…

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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)	2.15	6.55	-16.63	2	5	0	61	305.403	4	↓ MOL2 SDF SMILES Flexibase

67256100

Analogs

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Popular Name: 4-[(4R)-4-methyl-5-oxo-2-thioxo-imidazolidin-1-yl]-N-[(1S)-1-methylpropyl]benzamide 4-[(4R)-4-methyl-5-oxo-2-thioxo-…

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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)	2.15	6.55	-16.6	2	5	0	61	305.403	4	↓ MOL2 SDF SMILES Flexibase

49241049

Analogs

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Popular Name: N-[3-[(4S)-4-methyl-5-oxo-2-thioxo-imidazolidin-1-yl]phenyl]butanamide N-[3-[(4S)-4-methyl-5-oxo-2-thio…

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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	6.13	-16.74	2	5	0	61	291.376	4	↓ MOL2 SDF SMILES Flexibase

49241051

Analogs

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Popular Name: N-[3-[(4R)-4-methyl-5-oxo-2-thioxo-imidazolidin-1-yl]phenyl]butanamide N-[3-[(4R)-4-methyl-5-oxo-2-thio…

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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	6.13	-16.82	2	5	0	61	291.376	4	↓ MOL2 SDF SMILES Flexibase

49336851

Analogs

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Popular Name: N-[2,4-difluoro-5-[(4R)-4-methyl-5-oxo-2-thioxo-imidazolidin-1-yl]phenyl]acetamide N-[2,4-difluoro-5-[(4R)-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)	1.15	4.85	-18.3	2	5	0	61	299.302	2	↓ MOL2 SDF SMILES Flexibase

49336855

Analogs

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Popular Name: N-[2,4-difluoro-5-[(4S)-4-methyl-5-oxo-2-thioxo-imidazolidin-1-yl]phenyl]acetamide N-[2,4-difluoro-5-[(4S)-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)	1.15	4.85	-18.33	2	5	0	61	299.302	2	↓ MOL2 SDF SMILES Flexibase

49336955

Analogs

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Popular Name: (5S)-3-(3-butoxyphenyl)-5-methyl-2-thioxo-imidazolidin-4-one (5S)-3-(3-butoxyphenyl)-5-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)	3.21	7.45	-13.8	1	4	0	42	278.377	5	↓ MOL2 SDF SMILES Flexibase

49336958

Analogs

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Popular Name: (5R)-3-(3-butoxyphenyl)-5-methyl-2-thioxo-imidazolidin-4-one (5R)-3-(3-butoxyphenyl)-5-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)	3.21	7.45	-13.71	1	4	0	42	278.377	5	↓ MOL2 SDF SMILES Flexibase

49336960

Analogs

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Popular Name: (5R)-3-(5-chloro-2-methylsulfanyl-phenyl)-5-(2-methylsulfanylethyl)-2-thioxo-imidazolidin-4-one (5R)-3-(5-chloro-2-methylsulfany…

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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	9.57	-14.23	1	3	0	32	346.93	5	↓ MOL2 SDF SMILES Flexibase

49336963

Analogs

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Popular Name: (5S)-3-(5-chloro-2-methylsulfanyl-phenyl)-5-(2-methylsulfanylethyl)-2-thioxo-imidazolidin-4-one (5S)-3-(5-chloro-2-methylsulfany…

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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	9.57	-14.2	1	3	0	32	346.93	5	↓ MOL2 SDF SMILES Flexibase

49395509

Analogs

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Popular Name: 2-ethyl-5-[(4S)-4-methyl-5-oxo-2-thioxo-imidazolidin-1-yl]benzenesulfonamide 2-ethyl-5-[(4S)-4-methyl-5-oxo-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)	1.28	2.16	-20.87	3	6	0	93	313.404	3	↓ MOL2 SDF SMILES Flexibase

49395512

Analogs

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Popular Name: 2-ethyl-5-[(4R)-4-methyl-5-oxo-2-thioxo-imidazolidin-1-yl]benzenesulfonamide 2-ethyl-5-[(4R)-4-methyl-5-oxo-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)	1.28	2.16	-21.02	3	6	0	93	313.404	3	↓ MOL2 SDF SMILES Flexibase

49395555

Analogs

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Popular Name: (5R)-3-(2,3-difluorophenyl)-5-(2-methylsulfanylethyl)-2-thioxo-imidazolidin-4-one (5R)-3-(2,3-difluorophenyl)-5-(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)	2.43	7.93	-17.28	1	3	0	32	302.371	4	↓ MOL2 SDF SMILES Flexibase

49395557

Analogs

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Popular Name: (5S)-3-(2,3-difluorophenyl)-5-(2-methylsulfanylethyl)-2-thioxo-imidazolidin-4-one (5S)-3-(2,3-difluorophenyl)-5-(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)	2.43	7.93	-16.1	1	3	0	32	302.371	4	↓ MOL2 SDF SMILES Flexibase

49395559

Analogs

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Popular Name: (5R)-3-(2,3-difluorophenyl)-5-methyl-2-thioxo-imidazolidin-4-one (5R)-3-(2,3-difluorophenyl)-5-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)	1.98	5.89	-16.18	1	3	0	32	242.25	1	↓ MOL2 SDF SMILES Flexibase

49395562

Analogs

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Popular Name: (5S)-3-(2,3-difluorophenyl)-5-methyl-2-thioxo-imidazolidin-4-one (5S)-3-(2,3-difluorophenyl)-5-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)	1.98	5.89	-15.8	1	3	0	32	242.25	1	↓ MOL2 SDF SMILES Flexibase

49395564

Analogs

5762003

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Popular Name: (5R)-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-2-thioxo-imidazolidin-4-one (5R)-3-[4-fluoro-3-(trifluoromet…

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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	6.71	-13.34	1	3	0	32	292.257	2	↓ MOL2 SDF SMILES Flexibase

49395567

Analogs

5762003

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Popular Name: (5S)-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-2-thioxo-imidazolidin-4-one (5S)-3-[4-fluoro-3-(trifluoromet…

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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	6.71	-13.19	1	3	0	32	292.257	2	↓ MOL2 SDF SMILES Flexibase

67964253

Analogs

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Popular Name: (5S)-3-[3-(isopropoxymethyl)phenyl]-5-(2-methylsulfanylethyl)-2-thioxo-imidazolidin-4-one (5S)-3-[3-(isopropoxymethyl)phen…

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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)	2.87	9.12	-14.67	1	4	0	42	338.498	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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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 = 13337 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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