ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

6729678

Analogs

34859915

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-methyl-5-BLAHylsulfonyl-indolin-1-yl)ethanone 1-(2-methyl-5-BLAHylsulfonyl-ind…

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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)	2.45	-3.88	-22.03	0	7	0	75	396.472	2	↓ MOL2 SDF SMILES Flexibase

6729681

Analogs

34859915

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-methyl-5-BLAHylsulfonyl-indolin-1-yl)ethanone 1-(2-methyl-5-BLAHylsulfonyl-ind…

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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)	2.45	-3.89	-22.15	0	7	0	75	396.472	2	↓ MOL2 SDF SMILES Flexibase

20130129

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-(4-benzyl-1-piperidyl)ethyl]-1,2-dihydroimidazo[1,2-a]benzimidazole 3-[2-(4-benzyl-1-piperidyl)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)	4.39	14.42	-99.4	2	4	2	27	362.521	5	↓ MOL2 SDF SMILES Flexibase

36112851

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[4-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)phenyl]methylamino]-4-(4-methyl-1-piperidyl 3-[[4-(1,2-dihydroimidazo[1,2-a]…

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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)	0.21	9.16	-52.45	2	8	1	94	470.553	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.21	9.94	-35.61	1	8	0	97	469.545	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.43	12.14	-74.66	3	8	2	92	471.561	4	↓ MOL2 SDF SMILES Flexibase

20235411

Analogs

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Popular Name: N-[(1R)-1-benzyl-2-(1,2-dihydroimidazo[3,2-a]benzimidazol-3-yl)-2-oxo-ethyl]-2,1,3-benzothiadiazole- N-[(1R)-1-benzyl-2-(1,2-dihydroi…

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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)	3.63	9.75	-20.13	1	9	0	110	504.597	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.63	9.37	-59.04	0	9	-1	112	503.589	6	↓ MOL2 SDF SMILES Flexibase

20235415

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-benzyl-2-(1,2-dihydroimidazo[3,2-a]benzimidazol-3-yl)-2-oxo-ethyl]-2,1,3-benzothiadiazole- N-[(1S)-1-benzyl-2-(1,2-dihydroi…

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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)	3.63	9.6	-18.57	1	9	0	110	504.597	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.63	9.22	-59.06	0	9	-1	112	503.589	6	↓ MOL2 SDF SMILES Flexibase

20240064

Analogs

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Popular Name: N-[2-(1,2-dihydroimidazo[3,2-a]benzimidazol-3-yl)-2-oxo-ethyl]-N-(4-ethoxyphenyl)-3,5-dimethyl-isoxa N-[2-(1,2-dihydroimidazo[3,2-a]b…

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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	11.29	-16.55	0	10	0	111	495.561	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.03	11.69	-43.93	1	10	1	112	496.569	7	↓ MOL2 SDF SMILES Flexibase

12535909

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-chloro-2-pyridyl)-(1,2-dihydroimidazo[3,2-a]benzimidazol-3-yl)methanone (4-chloro-2-pyridyl)-(1,2-dihydr…

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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)	2.66	9.67	-19.68	0	5	0	51	298.733	1	↓ MOL2 SDF SMILES Flexibase

12536420

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,2-dihydroimidazo[3,2-a]benzimidazol-3-yl-(m-tolyl)methanone 1,2-dihydroimidazo[3,2-a]benzimi…

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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	10.67	-23.45	0	4	0	38	277.327	1	↓ MOL2 SDF SMILES Flexibase

12537163

Analogs

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Popular Name: 1-(1,2-dihydroimidazo[3,2-a]benzimidazol-3-yl)butan-1-one 1-(1,2-dihydroimidazo[3,2-a]benz…

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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)	1.87	9.01	-9.14	0	4	0	38	229.283	2	↓ MOL2 SDF SMILES Flexibase

12537164

Analogs

29375579

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(1,2-dihydroimidazo[3,2-a]benzimidazol-3-yl)-3-methyl-butan-1-one 1-(1,2-dihydroimidazo[3,2-a]benz…

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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)	2.09	9.6	-8.86	0	4	0	38	243.31	2	↓ MOL2 SDF SMILES Flexibase

12537295

Analogs

617840

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(1,2-dihydroimidazo[3,2-a]benzimidazol-3-yl)-2-methyl-propan-1-one 1-(1,2-dihydroimidazo[3,2-a]benz…

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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)	2.23	8.75	-21.7	0	4	0	38	229.283	1	↓ MOL2 SDF SMILES Flexibase

12537971

Analogs

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Popular Name: (E)-1-[4-(1,2-dihydroimidazo[3,2-a]benzimidazole-3-carbonyl)-1-piperidyl]-3-phenyl-prop-2-en-1-one (E)-1-[4-(1,2-dihydroimidazo[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)	3.58	13.86	-15.68	0	6	0	58	400.482	3	↓ MOL2 SDF SMILES Flexibase

12537973

Analogs

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Popular Name: 1,2-dihydroimidazo[3,2-a]benzimidazol-3-yl-[1-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanone 1,2-dihydroimidazo[3,2-a]benzimi…

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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)	1.97	13.37	-17.11	0	7	0	69	362.368	2	↓ MOL2 SDF SMILES Flexibase

12538061

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,2-dihydroimidazo[3,2-a]benzimidazol-3-yl-(3-fluoro-4-methyl-phenyl)methanone 1,2-dihydroimidazo[3,2-a]benzimi…

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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	10.7	-25.53	0	4	0	38	295.317	1	↓ MOL2 SDF SMILES Flexibase

12538287

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(1,2-dihydroimidazo[3,2-a]benzimidazol-3-yl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propa 1-(1,2-dihydroimidazo[3,2-a]benz…

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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	12.44	-16.41	0	7	0	68	374.448	3	↓ MOL2 SDF SMILES Flexibase

12538288

Analogs

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Popular Name: 1-(1,2-dihydroimidazo[3,2-a]benzimidazol-3-yl)-3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propan-1-on 1-(1,2-dihydroimidazo[3,2-a]benz…

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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)	0.43	7.52	-26.27	1	8	0	97	395.444	4	↓ MOL2 SDF SMILES Flexibase

12538425

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-(1,2-dihydroimidazo[3,2-a]benzimidazol-3-yl)-2-oxo-ethyl]-8-methyl-quinazolin-4-one 3-[2-(1,2-dihydroimidazo[3,2-a]b…

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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	12.51	-18.14	0	7	0	73	359.389	2	↓ MOL2 SDF SMILES Flexibase

40549269

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide N-cyclopropyl-1,2-dihydroimidazo…

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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)	1.80	8.25	-10.64	1	5	0	50	242.282	1	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.80	8.39	-28.18	2	5	1	51	243.29	1	↓ MOL2 SDF SMILES Flexibase

37176597

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(1-phenyltriazol-4-yl)methanone 1,2-dihydroimidazo[1,2-a]benzimi…

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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	11.17	-16.7	0	7	0	69	330.351	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.24	10.84	-26.1	1	7	1	70	331.359	2	↓ MOL2 SDF SMILES Flexibase

49377880

Analogs

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Popular Name: 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(2-isopropylpyrazol-3-yl)methanone 1,2-dihydroimidazo[1,2-a]benzimi…

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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	9.94	-11.98	0	6	0	56	295.346	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.24	9.96	-31.23	1	6	1	57	296.354	2	↓ MOL2 SDF SMILES Flexibase

49377963

Analogs

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Popular Name: 1-[2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-2-oxo-ethyl]-3-phenyl-imidazolidin-2-one 1-[2-(1,2-dihydroimidazo[1,2-a]b…

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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)	2.59	12.18	-20.15	0	7	0	62	361.405	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.59	12.67	-40.23	1	7	1	63	362.413	3	↓ MOL2 SDF SMILES Flexibase

49378912

Analogs

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Popular Name: 1-[2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-2-oxo-ethyl]-3-(p-tolyl)imidazolidin-2-one 1-[2-(1,2-dihydroimidazo[1,2-a]b…

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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)	3.04	12.86	-20.18	0	7	0	62	375.432	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.04	13.36	-40.19	1	7	1	63	376.44	3	↓ MOL2 SDF SMILES Flexibase

49379976

Analogs

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Popular Name: 1-[2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-2-oxo-ethyl]-3-(4-fluorophenyl)imidazolidin-2-one 1-[2-(1,2-dihydroimidazo[1,2-a]b…

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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	12.26	-19.66	0	7	0	62	379.395	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.75	12.75	-40.98	1	7	1	63	380.403	3	↓ MOL2 SDF SMILES Flexibase

49380895

Analogs

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Popular Name: 1-[2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-2-oxo-ethyl]-3-(2-fluorophenyl)imidazolidin-2-one 1-[2-(1,2-dihydroimidazo[1,2-a]b…

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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)	2.70	12.54	-21.37	0	7	0	62	379.395	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.70	13.03	-40.54	1	7	1	63	380.403	3	↓ MOL2 SDF SMILES Flexibase

49381590

Analogs

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Popular Name: 1-(3-chlorophenyl)-3-[2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-2-oxo-ethyl]imidazolidin-2-one 1-(3-chlorophenyl)-3-[2-(1,2-dih…

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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	12.71	-17.75	0	7	0	62	395.85	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.24	13.2	-39.36	1	7	1	63	396.858	3	↓ MOL2 SDF SMILES Flexibase

49382250

Analogs

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Popular Name: 1-(4-chlorophenyl)-3-[2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-2-oxo-ethyl]imidazolidin-2-one 1-(4-chlorophenyl)-3-[2-(1,2-dih…

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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)	3.26	12.71	-19.13	0	7	0	62	395.85	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.26	13.2	-40.34	1	7	1	63	396.858	3	↓ MOL2 SDF SMILES Flexibase

49382931

Analogs

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Popular Name: 1-(3,4-difluorophenyl)-3-[2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-2-oxo-ethyl]imidazolidin-2- 1-(3,4-difluorophenyl)-3-[2-(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)	2.84	12.31	-17.82	0	7	0	62	397.385	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.84	12.8	-41.19	1	7	1	63	398.393	3	↓ MOL2 SDF SMILES Flexibase

49383717

Analogs

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Popular Name: 1-[2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-2-oxo-ethyl]-3-(4-methoxyphenyl)imidazolidin-2-one 1-[2-(1,2-dihydroimidazo[1,2-a]b…

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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	11.47	-20.43	0	8	0	71	391.431	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.64	11.96	-41.22	1	8	1	72	392.439	4	↓ MOL2 SDF SMILES Flexibase

49385797

Analogs

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Popular Name: 1-[2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-2-oxo-ethyl]-3-(4-ethoxyphenyl)imidazolidin-2-one 1-[2-(1,2-dihydroimidazo[1,2-a]b…

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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)	3.02	12.4	-20.33	0	8	0	71	405.458	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.02	12.89	-41	1	8	1	72	406.466	5	↓ MOL2 SDF SMILES Flexibase

49386853

Analogs

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Popular Name: 1-[2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-2-oxo-ethyl]-3-(3,4-dimethoxyphenyl)imidazolidin-2 1-[2-(1,2-dihydroimidazo[1,2-a]b…

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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)	2.23	11.38	-22.05	0	9	0	80	421.457	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.23	11.87	-43.76	1	9	1	81	422.465	5	↓ MOL2 SDF SMILES Flexibase

49388085

Analogs

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Popular Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-2-oxo-ethyl]imidazolidin- 1-(1,3-benzodioxol-5-yl)-3-[2-(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)	2.48	10.85	-24.44	0	9	0	80	405.414	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.48	11.34	-44.78	1	9	1	81	406.422	3	↓ MOL2 SDF SMILES Flexibase

49389644

Analogs

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Popular Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-2-oxo-ethyl]i 1-(2,3-dihydro-1,4-benzodioxin-6…

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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)	2.10	11.34	-21.07	0	9	0	80	419.441	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.10	11.83	-42.2	1	9	1	81	420.449	3	↓ MOL2 SDF SMILES Flexibase

49391170

Analogs

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Popular Name: 1-[2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-2-oxo-ethyl]-3-(2,5-dimethoxyphenyl)imidazolidin-2 1-[2-(1,2-dihydroimidazo[1,2-a]b…

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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	11.12	-23.57	0	9	0	80	421.457	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.63	11.61	-42.19	1	9	1	81	422.465	5	↓ MOL2 SDF SMILES Flexibase

49403430

Analogs

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Popular Name: 1-[2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-2-oxo-ethyl]-3-(4-isopropylphenyl)imidazolidin-2-o 1-[2-(1,2-dihydroimidazo[1,2-a]b…

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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	14.11	-19.77	0	7	0	62	403.486	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.10	14.59	-39.78	1	7	1	63	404.494	4	↓ MOL2 SDF SMILES Flexibase

49413748

Analogs

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Popular Name: N-[2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-2-oxo-ethyl]-N-methyl-1H-indole-3-carboxamide N-[2-(1,2-dihydroimidazo[1,2-a]b…

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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)	1.85	11.05	-24.1	1	7	0	74	373.416	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.85	11.55	-41.59	2	7	1	75	374.424	3	↓ MOL2 SDF SMILES Flexibase

49425028

Analogs

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Popular Name: (3R)-3-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)-N-(2-thienylmethyl)piperidine-1-carboxami (3R)-3-(1,2-dihydroimidazo[1,2-a…

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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)	3.41	11.29	-22.47	1	7	0	70	409.515	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.41	11.78	-30.3	2	7	1	72	410.523	3	↓ MOL2 SDF SMILES Flexibase

49425030

Analogs

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Popular Name: (3S)-3-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)-N-(2-thienylmethyl)piperidine-1-carboxami (3S)-3-(1,2-dihydroimidazo[1,2-a…

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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)	3.41	11.23	-21	1	7	0	70	409.515	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.41	11.72	-28.77	2	7	1	72	410.523	3	↓ MOL2 SDF SMILES Flexibase

49428371

Analogs

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Popular Name: (3R)-3-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)-N-(2-thienyl)piperidine-1-carboxamide (3R)-3-(1,2-dihydroimidazo[1,2-a…

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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)	3.04	11.16	-23.19	1	7	0	70	395.488	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.04	11.66	-31.28	2	7	1	72	396.496	2	↓ MOL2 SDF SMILES Flexibase

49428374

Analogs

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Popular Name: (3S)-3-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)-N-(2-thienyl)piperidine-1-carboxamide (3S)-3-(1,2-dihydroimidazo[1,2-a…

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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)	3.04	11.1	-22.16	1	7	0	70	395.488	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.04	11.6	-30.21	2	7	1	72	396.496	2	↓ MOL2 SDF SMILES Flexibase

49429412

Analogs

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Popular Name: 4-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)-N-(2-thienyl)piperidine-1-carboxamide 4-(1,2-dihydroimidazo[1,2-a]benz…

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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)	3.04	11.11	-29.54	1	7	0	70	395.488	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.04	11.61	-39.92	2	7	1	72	396.496	2	↓ MOL2 SDF SMILES Flexibase

38571024

Analogs

38571055

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Popular Name: (2R)-2-[[(2S)-2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-4-methyl-pentanoyl]amino]pr (2R)-2-[[(2S)-2-(1,2-dihydroimid…

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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)	0.30	9.18	-51.31	2	9	-1	119	386.432	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.30	10.22	-51.56	3	9	0	121	387.44	6	↓ MOL2 SDF SMILES Flexibase

38571036

Analogs

38571037

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Popular Name: (2S,3R)-2-[[(2S)-2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-3-methyl-butanoyl]amino] (2S,3R)-2-[[(2S)-2-(1,2-dihydroi…

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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)	-0.84	6.51	-64.44	3	10	-1	140	402.431	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.84	6.97	-58.31	4	10	0	141	403.439	6	↓ MOL2 SDF SMILES Flexibase

38571037

Analogs

38571036

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Popular Name: (2S,3S)-2-[[(2S)-2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-3-methyl-butanoyl]amino] (2S,3S)-2-[[(2S)-2-(1,2-dihydroi…

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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)	-0.84	6.35	-66.65	3	10	-1	140	402.431	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.84	6.42	-50.65	4	10	0	141	403.439	6	↓ MOL2 SDF SMILES Flexibase

38571055

Analogs

38571024

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Popular Name: (2S)-2-[[(2S)-2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-4-methyl-pentanoyl]amino]pr (2S)-2-[[(2S)-2-(1,2-dihydroimid…

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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)	0.30	9.15	-51.39	2	9	-1	119	386.432	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.30	10.19	-52.02	3	9	0	121	387.44	6	↓ MOL2 SDF SMILES Flexibase

38575689

Analogs

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Popular Name: (E)-N-[4-[2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-2-oxo-ethyl]thiazol-2-yl]-3-phenyl-prop-2-e (E)-N-[4-[2-(1,2-dihydroimidazo[…

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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)	3.73	12.78	-17.13	1	7	0	80	429.505	5	↓ MOL2 SDF SMILES Flexibase

38739909

Analogs

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Popular Name: N-[4-[2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-2-oxo-ethyl]thiazol-2-yl]-2-phenyl-acetamide N-[4-[2-(1,2-dihydroimidazo[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)	3.18	12.26	-18.2	1	7	0	80	417.494	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.18	12.75	-40.24	2	7	1	81	418.502	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

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 = 4292 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
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