ZINC 12

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Quick Search ZINC ID or SMILES

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ZINC Item

Suppliers, Protomers, & Similar Substances

384

Analogs

4213542

Draw Identity 99% 90% 80% 70%

Popular Name: R-25540 R-25540

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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)	0.99	-2.64	-27.49	2	3	1	29	188.254	1	↓ MOL2 SDF SMILES Flexibase

13545592

Analogs

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Popular Name: 3-cyclohexyl-N-[2-[(3S,6S)-6-[(4-methoxyphenyl)methyl]-3-methyl-2,3,5,6-tetrahydroimidazo[2,1-b]imid 3-cyclohexyl-N-[2-[(3S,6S)-6-[(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)	4.30	12.68	-36.93	2	6	1	59	427.613	9	↓ MOL2 SDF SMILES Flexibase

13545595

Analogs

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Popular Name: 3-bromo-N-[(1S)-2-[(2R,5S)-2-[(4-hydroxyphenyl)methyl]-5-methyl-2,3,5,6-tetrahydroimidazo[3,2-a]imid 3-bromo-N-[(1S)-2-[(2R,5S)-2-[(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)	3.98	11.27	-37.64	3	6	1	70	486.434	6	↓ MOL2 SDF SMILES Flexibase

13545597

Analogs

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Popular Name: N-[2-[(3S,6R)-3,6-bis[(4-hydroxyphenyl)methyl]-2,3,5,6-tetrahydroimidazo[2,1-b]imidazol-7-yl]ethyl]- N-[2-[(3S,6R)-3,6-bis[(4-hydroxy…

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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)	4.75	11.23	-43.58	4	7	1	90	505.683	10	↓ MOL2 SDF SMILES Flexibase

13545599

Analogs

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Popular Name: N-[2-[(3R,6R)-3-benzyl-6-[(4-hydroxyphenyl)methyl]-2,3,5,6-tetrahydroimidazo[2,1-b]imidazol-7-yl]eth N-[2-[(3R,6R)-3-benzyl-6-[(4-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)	5.23	14.02	-41.1	3	6	1	70	489.684	10	↓ MOL2 SDF SMILES Flexibase

13545602

Analogs

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Popular Name: 3-cyclohexyl-N-[(1S)-2-[(3S,6R)-6-[(4-hydroxyphenyl)methyl]-3-methyl-2,3,5,6-tetrahydroimidazo[2,1-b 3-cyclohexyl-N-[(1S)-2-[(3S,6R)-…

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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)	4.10	11.78	-39.15	3	6	1	70	427.613	8	↓ MOL2 SDF SMILES Flexibase

13545604

Analogs

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Popular Name: 3-bromo-N-[(1S)-2-[(2R,5S)-2-[(4-hydroxyphenyl)methyl]-5-isopropyl-2,3,5,6-tetrahydroimidazo[3,2-a]i 3-bromo-N-[(1S)-2-[(2R,5S)-2-[(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)	4.76	12.38	-37.95	3	6	1	70	514.488	7	↓ MOL2 SDF SMILES Flexibase

13545606

Analogs

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Popular Name: (E)-N-[2-[(2R,5S)-2,5-bis[(4-hydroxyphenyl)methyl]-2,3,5,6-tetrahydroimidazo[3,2-a]imidazol-1-yl]eth (E)-N-[2-[(2R,5S)-2,5-bis[(4-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)	3.18	8.57	-43.81	4	7	1	90	449.575	8	↓ MOL2 SDF SMILES Flexibase

13545608

Analogs

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Popular Name: N-[2-[(2S,5R)-5-benzyl-2-[(4-methoxyphenyl)methyl]-2,3,5,6-tetrahydroimidazo[3,2-a]imidazol-1-yl]eth N-[2-[(2S,5R)-5-benzyl-2-[(4-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)	5.76	16.23	-40.51	2	6	1	59	503.711	11	↓ MOL2 SDF SMILES Flexibase

13545610

Analogs

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Popular Name: N-[3-[(2S,5S)-5-[(4-hydroxyphenyl)methyl]-1-[2-(p-tolyl)ethyl]-2,3,5,6-tetrahydroimidazo[1,2-a]imida N-[3-[(2S,5S)-5-[(4-hydroxypheny…

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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)	4.25	13.71	-41.57	3	6	1	70	475.657	10	↓ MOL2 SDF SMILES Flexibase

13545613

Analogs

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Popular Name: N-[2-[(2S,5S)-5-benzyl-2-[(4-methoxyphenyl)methyl]-2,3,5,6-tetrahydroimidazo[3,2-a]imidazol-1-yl]eth N-[2-[(2S,5S)-5-benzyl-2-[(4-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)	5.76	16.21	-40.9	2	6	1	59	503.711	11	↓ MOL2 SDF SMILES Flexibase

13545615

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-N-[2-[(2R,5R)-5-benzyl-2-[(4-hydroxyphenyl)methyl]-2,3,5,6-tetrahydroimidazo[3,2-a]imidazol-1-yl (E)-N-[2-[(2R,5R)-5-benzyl-2-[(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)	3.66	11.42	-40.85	3	6	1	70	433.576	8	↓ MOL2 SDF SMILES Flexibase

13545617

Analogs

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Popular Name: 3-cyclohexyl-N-[2-[(3S,6R)-6-[(4-hydroxyphenyl)methyl]-3-methyl-2,3,5,6-tetrahydroimidazo[2,1-b]imid 3-cyclohexyl-N-[2-[(3S,6R)-6-[(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)	3.77	10.58	-38.62	3	6	1	70	413.586	8	↓ MOL2 SDF SMILES Flexibase

13545619

Analogs

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Popular Name: 3-cyclohexyl-N-[(1S)-2-[(3S,6R)-6-[(4-hydroxyphenyl)methyl]-3-isopropyl-2,3,5,6-tetrahydroimidazo[2, 3-cyclohexyl-N-[(1S)-2-[(3S,6R)-…

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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)	4.88	12.82	-39.08	3	6	1	70	455.667	9	↓ MOL2 SDF SMILES Flexibase

13545622

Analogs

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Popular Name: N-[3-[(2S,5S)-5-cyclohexyl-1-[2-(p-tolyl)ethyl]-2,3,5,6-tetrahydroimidazo[1,2-a]imidazol-2-yl]propyl N-[3-[(2S,5S)-5-cyclohexyl-1-[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)	5.21	16.05	-37.86	2	5	1	50	451.679	9	↓ MOL2 SDF SMILES Flexibase

13545625

Analogs

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Popular Name: (2R)-N-[3-[(2S,5S)-5-cyclohexyl-1-[2-(m-tolyl)ethyl]-2,3,5,6-tetrahydroimidazo[1,2-a]imidazol-2-yl]p (2R)-N-[3-[(2S,5S)-5-cyclohexyl-…

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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)	7.09	18.97	-39.52	2	5	1	50	515.766	11	↓ MOL2 SDF SMILES Flexibase

13545627

Analogs

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Popular Name: (2S)-N-[3-[(2S,5S)-5-cyclohexyl-1-[2-(m-tolyl)ethyl]-2,3,5,6-tetrahydroimidazo[1,2-a]imidazol-2-yl]p (2S)-N-[3-[(2S,5S)-5-cyclohexyl-…

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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)	7.09	18.96	-39.64	2	5	1	50	515.766	11	↓ MOL2 SDF SMILES Flexibase

13545629

Analogs

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Popular Name: 3-bromo-N-[2-[(2R,5S)-2-[(4-hydroxyphenyl)methyl]-5-isopropyl-2,3,5,6-tetrahydroimidazo[3,2-a]imidaz 3-bromo-N-[2-[(2R,5S)-2-[(4-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)	4.43	11.24	-38.49	3	6	1	70	500.461	7	↓ MOL2 SDF SMILES Flexibase

13545631

Analogs

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Popular Name: 3-bromo-N-[(1S)-2-[(2R,5S)-2-[(4-methoxyphenyl)methyl]-5-methyl-2,3,5,6-tetrahydroimidazo[3,2-a]imid 3-bromo-N-[(1S)-2-[(2R,5S)-2-[(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)	4.52	13.42	-37.02	2	6	1	59	500.461	7	↓ MOL2 SDF SMILES Flexibase

13545633

Analogs

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Popular Name: 3-cyclohexyl-N-[2-[(3S,6R)-6-[(4-hydroxyphenyl)methyl]-3-isopropyl-2,3,5,6-tetrahydroimidazo[2,1-b]i 3-cyclohexyl-N-[2-[(3S,6R)-6-[(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)	4.55	11.66	-38.92	3	6	1	70	441.64	9	↓ MOL2 SDF SMILES Flexibase

13545635

Analogs

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Popular Name: N-[3-[(3S,6S)-7-[2-(3,4-dichlorophenyl)ethyl]-3-[(4-hydroxyphenyl)methyl]-2,3,5,6-tetrahydroimidazo[ N-[3-[(3S,6S)-7-[2-(3,4-dichloro…

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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)	5.08	13.94	-44.34	3	6	1	70	530.52	10	↓ MOL2 SDF SMILES Flexibase

13545638

Analogs

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Popular Name: 3-bromo-N-[2-[(2S,5S)-5-isopropyl-2-[(4-methoxyphenyl)methyl]-2,3,5,6-tetrahydroimidazo[3,2-a]imidaz 3-bromo-N-[2-[(2S,5S)-5-isopropy…

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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)	4.97	13.3	-36.95	2	6	1	59	514.488	8	↓ MOL2 SDF SMILES Flexibase

13545640

Analogs

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Popular Name: 3-cyclohexyl-N-[(1S)-2-[(3S,6R)-6-[(4-methoxyphenyl)methyl]-3-methyl-2,3,5,6-tetrahydroimidazo[2,1-b 3-cyclohexyl-N-[(1S)-2-[(3S,6R)-…

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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)	4.63	13.93	-38.05	2	6	1	59	441.64	9	↓ MOL2 SDF SMILES Flexibase

13545642

Analogs

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Popular Name: (E)-N-[2-[(2R,5S)-2-[(4-hydroxyphenyl)methyl]-5-isopropyl-2,3,5,6-tetrahydroimidazo[3,2-a]imidazol-1 (E)-N-[2-[(2R,5S)-2-[(4-hydroxyp…

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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)	2.98	9.02	-38.46	3	6	1	70	385.532	7	↓ MOL2 SDF SMILES Flexibase

13545644

Analogs

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Popular Name: (E)-N-[2-[(2R,5R)-2-[(4-hydroxyphenyl)methyl]-5-methyl-2,3,5,6-tetrahydroimidazo[3,2-a]imidazol-1-yl (E)-N-[2-[(2R,5R)-2-[(4-hydroxyp…

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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)	2.20	7.93	-37.92	3	6	1	70	357.478	6	↓ MOL2 SDF SMILES Flexibase

13545650

Analogs

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Popular Name: N-[3-[(2S,5S)-5-cyclohexyl-1-[2-(3,4-dichlorophenyl)ethyl]-2,3,5,6-tetrahydroimidazo[1,2-a]imidazol- N-[3-[(2S,5S)-5-cyclohexyl-1-[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)	6.05	16.35	-42.82	2	5	1	50	506.542	9	↓ MOL2 SDF SMILES Flexibase

13545653

Analogs

12466681

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Popular Name: 3-cyclohexyl-N-[2-[(3S,6S)-3-isopropyl-6-[(4-methoxyphenyl)methyl]-2,3,5,6-tetrahydroimidazo[2,1-b]i 3-cyclohexyl-N-[2-[(3S,6S)-3-iso…

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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)	5.08	13.76	-37.17	2	6	1	59	455.667	10	↓ MOL2 SDF SMILES Flexibase

13545655

Analogs

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Popular Name: (E)-N-[2-[(2S,5S)-2-[(4-methoxyphenyl)methyl]-5-methyl-2,3,5,6-tetrahydroimidazo[3,2-a]imidazol-1-yl (E)-N-[2-[(2S,5S)-2-[(4-methoxyp…

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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	10.02	-36.66	2	6	1	59	371.505	7	↓ MOL2 SDF SMILES Flexibase

13545657

Analogs

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Popular Name: 3-bromo-N-[2-[(2S,5R)-2-[(4-methoxyphenyl)methyl]-5-methyl-2,3,5,6-tetrahydroimidazo[3,2-a]imidazol- 3-bromo-N-[2-[(2S,5R)-2-[(4-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)	4.19	12.21	-36.55	2	6	1	59	486.434	7	↓ MOL2 SDF SMILES Flexibase

13545659

Analogs

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Popular Name: N-[3-[(2S,5S)-5-[(4-hydroxyphenyl)methyl]-1-[2-(m-tolyl)ethyl]-2,3,5,6-tetrahydroimidazo[1,2-a]imida N-[3-[(2S,5S)-5-[(4-hydroxypheny…

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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)	4.22	13.7	-41.77	3	6	1	70	475.657	10	↓ MOL2 SDF SMILES Flexibase

13545662

Analogs

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Popular Name: 3-cyclohexyl-N-[2-[(3R,6S)-6-[(4-methoxyphenyl)methyl]-3-methyl-2,3,5,6-tetrahydroimidazo[2,1-b]imid 3-cyclohexyl-N-[2-[(3R,6S)-6-[(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)	4.30	12.67	-36.78	2	6	1	59	427.613	9	↓ MOL2 SDF SMILES Flexibase

13545664

Analogs

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Popular Name: N-[2-[(3S,6R)-3-benzyl-6-[(4-hydroxyphenyl)methyl]-2,3,5,6-tetrahydroimidazo[2,1-b]imidazol-7-yl]eth N-[2-[(3S,6R)-3-benzyl-6-[(4-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)	5.23	14.1	-40.69	3	6	1	70	489.684	10	↓ MOL2 SDF SMILES Flexibase

13545667

Analogs

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Popular Name: (E)-N-[(1S)-2-[(2R,5S)-5-isopropyl-2-[(4-methoxyphenyl)methyl]-2,3,5,6-tetrahydroimidazo[3,2-a]imida (E)-N-[(1S)-2-[(2R,5S)-5-isoprop…

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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)	3.84	12.32	-37.48	2	6	1	59	413.586	8	↓ MOL2 SDF SMILES Flexibase

13545669

Analogs

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Popular Name: (E)-N-[2-[(2S,5R)-2-[(4-methoxyphenyl)methyl]-5-methyl-2,3,5,6-tetrahydroimidazo[3,2-a]imidazol-1-yl (E)-N-[2-[(2S,5R)-2-[(4-methoxyp…

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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	10.02	-36.54	2	6	1	59	371.505	7	↓ MOL2 SDF SMILES Flexibase

13545675

Analogs

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Popular Name: 3-bromo-N-[2-[(2R,5S)-2-[(4-hydroxyphenyl)methyl]-5-methyl-2,3,5,6-tetrahydroimidazo[3,2-a]imidazol- 3-bromo-N-[2-[(2R,5S)-2-[(4-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)	3.65	10.14	-38.18	3	6	1	70	472.407	6	↓ MOL2 SDF SMILES Flexibase

13545677

Analogs

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Popular Name: (E)-N-[2-[(2S,5S)-5-[(4-hydroxyphenyl)methyl]-2-[(4-methoxyphenyl)methyl]-2,3,5,6-tetrahydroimidazo[ (E)-N-[2-[(2S,5S)-5-[(4-hydroxyp…

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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	10.62	-42.26	3	7	1	79	463.602	9	↓ MOL2 SDF SMILES Flexibase

13545679

Analogs

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Popular Name: (E)-N-[2-[(2R,5S)-5-benzyl-2-[(4-hydroxyphenyl)methyl]-2,3,5,6-tetrahydroimidazo[3,2-a]imidazol-1-yl (E)-N-[2-[(2R,5S)-5-benzyl-2-[(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)	3.66	11.42	-40.51	3	6	1	70	433.576	8	↓ MOL2 SDF SMILES Flexibase

13545681

Analogs

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Popular Name: (E)-N-[2-[(2S,5S)-5-isopropyl-2-[(4-methoxyphenyl)methyl]-2,3,5,6-tetrahydroimidazo[3,2-a]imidazol-1 (E)-N-[2-[(2S,5S)-5-isopropyl-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)	3.51	11.11	-36.88	2	6	1	59	399.559	8	↓ MOL2 SDF SMILES Flexibase

13545683

Analogs

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Popular Name: 3-bromo-N-[2-[(2R,5S)-2-[(4-methoxyphenyl)methyl]-5-methyl-2,3,5,6-tetrahydroimidazo[3,2-a]imidazol- 3-bromo-N-[2-[(2R,5S)-2-[(4-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)	4.19	12.29	-37.61	2	6	1	59	486.434	7	↓ MOL2 SDF SMILES Flexibase

13545685

Analogs

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Popular Name: 3-cyclohexyl-N-[2-[(3R,6R)-6-[(4-hydroxyphenyl)methyl]-3-methyl-2,3,5,6-tetrahydroimidazo[2,1-b]imid 3-cyclohexyl-N-[2-[(3R,6R)-6-[(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)	3.77	10.58	-38.41	3	6	1	70	413.586	8	↓ MOL2 SDF SMILES Flexibase

13545688

Analogs

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Popular Name: N-[(1S)-2-[(2R,5S)-5-benzyl-2-[(4-hydroxyphenyl)methyl]-2,3,5,6-tetrahydroimidazo[3,2-a]imidazol-1-y N-[(1S)-2-[(2R,5S)-5-benzyl-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)	5.56	15.22	-40.76	3	6	1	70	503.711	10	↓ 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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<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
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