ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

52918755

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	0.42	1.84	-9.42	3	5	0	75	219.244	3	↓ MOL2 SDF SMILES Flexibase

52918787

Analogs

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Popular Name: (5R)-3-[2-(2-aminophenyl)ethyl]-5-ethyl-5-methyl-imidazolidine-2,4-dione (5R)-3-[2-(2-aminophenyl)ethyl]-…

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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)	1.73	4	-7.54	3	5	0	75	261.325	4	↓ MOL2 SDF SMILES Flexibase

52918789

Analogs

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Popular Name: (5S)-3-[2-(2-aminophenyl)ethyl]-5-ethyl-5-methyl-imidazolidine-2,4-dione (5S)-3-[2-(2-aminophenyl)ethyl]-…

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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)	1.73	4.07	-7.53	3	5	0	75	261.325	4	↓ MOL2 SDF SMILES Flexibase

52918791

Analogs

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Popular Name: 3-[2-(2-aminophenyl)ethyl]-5,5-dimethyl-imidazolidine-2,4-dione 3-[2-(2-aminophenyl)ethyl]-5,5-d…

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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)	1.22	3.22	-7.91	3	5	0	75	247.298	3	↓ MOL2 SDF SMILES Flexibase

52918802

Analogs

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Popular Name: (5R)-3-[2-(2-aminophenyl)ethyl]-5-propyl-imidazolidine-2,4-dione (5R)-3-[2-(2-aminophenyl)ethyl]-…

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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)	1.84	4.19	-7.82	3	5	0	75	261.325	5	↓ MOL2 SDF SMILES Flexibase

52918803

Analogs

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Popular Name: (5S)-3-[2-(2-aminophenyl)ethyl]-5-propyl-imidazolidine-2,4-dione (5S)-3-[2-(2-aminophenyl)ethyl]-…

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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)	1.84	4.19	-7.8	3	5	0	75	261.325	5	↓ MOL2 SDF SMILES Flexibase

52918817

Analogs

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Popular Name: 3-[2-(2-aminophenyl)ethyl]-1-methyl-imidazolidine-2,4-dione 3-[2-(2-aminophenyl)ethyl]-1-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)	0.66	4.24	-9.67	2	5	0	67	233.271	3	↓ MOL2 SDF SMILES Flexibase

60522764

Analogs

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Popular Name: (5R)-3-[(2S)-2-[4-(difluoromethoxy)phenyl]-2-hydroxy-ethyl]-5-isobutyl-imidazolidine-2,4-dione (5R)-3-[(2S)-2-[4-(difluorometho…

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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)	2.24	3.2	-10.86	2	6	0	79	342.342	7	↓ MOL2 SDF SMILES Flexibase

60522766

Analogs

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Popular Name: (5S)-3-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-5-isobutyl-imidazolidine-2,4-dione (5S)-3-[(2S)-2-hydroxy-2-[2-(tri…

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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)	2.48	4.28	-9.94	2	5	0	70	344.333	6	↓ MOL2 SDF SMILES Flexibase

69514575

Analogs

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Popular Name: (5R)-3-[(2R)-2-(2-fluorophenyl)-2-hydroxy-ethyl]-5-methyl-5-propyl-imidazolidine-2,4-dione (5R)-3-[(2R)-2-(2-fluorophenyl)-…

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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	3.79	-10.36	2	5	0	70	294.326	5	↓ MOL2 SDF SMILES Flexibase

69514577

Analogs

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Popular Name: (5S)-3-[(2R)-2-(2-fluorophenyl)-2-hydroxy-ethyl]-5-methyl-5-propyl-imidazolidine-2,4-dione (5S)-3-[(2R)-2-(2-fluorophenyl)-…

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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	3.87	-10.52	2	5	0	70	294.326	5	↓ MOL2 SDF SMILES Flexibase

69514582

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-3-[(2S)-2-(2-fluorophenyl)-2-hydroxy-ethyl]-5-methyl-5-propyl-imidazolidine-2,4-dione (5R)-3-[(2S)-2-(2-fluorophenyl)-…

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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	3.72	-9.78	2	5	0	70	294.326	5	↓ MOL2 SDF SMILES Flexibase

69514585

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-3-[(2S)-2-(2-fluorophenyl)-2-hydroxy-ethyl]-5-methyl-5-propyl-imidazolidine-2,4-dione (5S)-3-[(2S)-2-(2-fluorophenyl)-…

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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	3.79	-9.91	2	5	0	70	294.326	5	↓ MOL2 SDF SMILES Flexibase

69520901

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2R)-2-(2,5-dichlorophenyl)-2-hydroxy-ethyl]-1-methyl-imidazolidine-2,4-dione 3-[(2R)-2-(2,5-dichlorophenyl)-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)	1.52	4.15	-9.82	1	5	0	61	303.145	3	↓ MOL2 SDF SMILES Flexibase

69520903

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2S)-2-(2,5-dichlorophenyl)-2-hydroxy-ethyl]-1-methyl-imidazolidine-2,4-dione 3-[(2S)-2-(2,5-dichlorophenyl)-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)	1.52	4.08	-9.56	1	5	0	61	303.145	3	↓ MOL2 SDF SMILES Flexibase

69561909

Analogs

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Popular Name: 3-[(2R)-2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-1-methyl-imidazolidine-2,4-dione 3-[(2R)-2-hydroxy-2-[4-(trifluor…

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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)	1.20	2.98	-10.36	1	6	0	70	318.251	5	↓ MOL2 SDF SMILES Flexibase

69561911

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2S)-2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-1-methyl-imidazolidine-2,4-dione 3-[(2S)-2-hydroxy-2-[4-(trifluor…

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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)	1.20	2.89	-10.21	1	6	0	70	318.251	5	↓ MOL2 SDF SMILES Flexibase

65565213

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-3-[(2R)-2-(2-fluorophenyl)-2-hydroxy-ethyl]-5-isopropyl-5-methyl-imidazolidine-2,4-dione (5R)-3-[(2R)-2-(2-fluorophenyl)-…

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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	3.43	-10.21	2	5	0	70	294.326	4	↓ MOL2 SDF SMILES Flexibase

65565214

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-3-[(2R)-2-(2-fluorophenyl)-2-hydroxy-ethyl]-5-isopropyl-5-methyl-imidazolidine-2,4-dione (5S)-3-[(2R)-2-(2-fluorophenyl)-…

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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	3.77	-10.49	2	5	0	70	294.326	4	↓ MOL2 SDF SMILES Flexibase

65565215

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-3-[(2S)-2-(2-fluorophenyl)-2-hydroxy-ethyl]-5-isopropyl-5-methyl-imidazolidine-2,4-dione (5R)-3-[(2S)-2-(2-fluorophenyl)-…

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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	3.36	-9.63	2	5	0	70	294.326	4	↓ MOL2 SDF SMILES Flexibase

65565216

Analogs

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Popular Name: (5S)-3-[(2S)-2-(2-fluorophenyl)-2-hydroxy-ethyl]-5-isopropyl-5-methyl-imidazolidine-2,4-dione (5S)-3-[(2S)-2-(2-fluorophenyl)-…

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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	3.68	-10.19	2	5	0	70	294.326	4	↓ MOL2 SDF SMILES Flexibase

65592686

Analogs

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Popular Name: 3-[(2R)-2-(2-chlorophenyl)-2-hydroxy-ethyl]-1-methyl-imidazolidine-2,4-dione 3-[(2R)-2-(2-chlorophenyl)-2-hyd…

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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)	0.86	3.64	-11.16	1	5	0	61	268.7	3	↓ MOL2 SDF SMILES Flexibase

65592688

Analogs

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Popular Name: 3-[(2S)-2-(2-chlorophenyl)-2-hydroxy-ethyl]-1-methyl-imidazolidine-2,4-dione 3-[(2S)-2-(2-chlorophenyl)-2-hyd…

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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)	0.86	3.57	-10.69	1	5	0	61	268.7	3	↓ MOL2 SDF SMILES Flexibase

69770680

Analogs

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Popular Name: (5R)-3-[(2R)-2-(2-fluorophenyl)-2-hydroxy-ethyl]-5-propyl-imidazolidine-2,4-dione (5R)-3-[(2R)-2-(2-fluorophenyl)-…

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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)	1.53	3.22	-10.55	2	5	0	70	280.299	5	↓ MOL2 SDF SMILES Flexibase

69770682

Analogs

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Popular Name: (5S)-3-[(2R)-2-(2-fluorophenyl)-2-hydroxy-ethyl]-5-propyl-imidazolidine-2,4-dione (5S)-3-[(2R)-2-(2-fluorophenyl)-…

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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)	1.53	3.22	-10.79	2	5	0	70	280.299	5	↓ MOL2 SDF SMILES Flexibase

69770684

Analogs

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Popular Name: (5R)-3-[(2S)-2-(2-fluorophenyl)-2-hydroxy-ethyl]-5-propyl-imidazolidine-2,4-dione (5R)-3-[(2S)-2-(2-fluorophenyl)-…

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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)	1.53	3.14	-9.92	2	5	0	70	280.299	5	↓ MOL2 SDF SMILES Flexibase

69770685

Analogs

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Popular Name: (5S)-3-[(2S)-2-(2-fluorophenyl)-2-hydroxy-ethyl]-5-propyl-imidazolidine-2,4-dione (5S)-3-[(2S)-2-(2-fluorophenyl)-…

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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)	1.53	3.14	-10.16	2	5	0	70	280.299	5	↓ MOL2 SDF SMILES Flexibase

69892868

Analogs

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Popular Name: 3-[(2R)-2-(4-bromophenyl)-2-hydroxy-ethyl]-5,5-dimethyl-imidazolidine-2,4-dione 3-[(2R)-2-(4-bromophenyl)-2-hydr…

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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)	1.61	2.79	-8.37	2	5	0	70	327.178	3	↓ MOL2 SDF SMILES Flexibase

69892871

Analogs

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Popular Name: 3-[(2S)-2-(4-bromophenyl)-2-hydroxy-ethyl]-5,5-dimethyl-imidazolidine-2,4-dione 3-[(2S)-2-(4-bromophenyl)-2-hydr…

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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)	1.61	2.69	-8.31	2	5	0	70	327.178	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 35399
filter.purchasability = annotated
page.format = targets
page.num = 1
iosrct = adnet
iosrcn = adwords
iocnl1 = google_adsense
iocnl3 = legacy

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 = 35399 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=35399&filter.purchasability=annotated

Embed Link to Results

<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
        "ring.id": "35399"        

    });
</script>

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