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)	1.22	5.84	-46.57	3	5	1	63	228.279	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.22	5.44	-11.57	2	5	0	61	227.271	2	↓ MOL2 SDF SMILES Flexibase

52884774

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[2-(3-methylpyrazol-1-yl)imidazo[1,2-a]pyridin-3-yl]methanamine N-methyl-1-[2-(3-methylpyrazol-1…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	1.59	7.71	-41.45	2	5	1	52	242.306	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.59	6.26	-12.8	1	5	0	47	241.298	3	↓ MOL2 SDF SMILES Flexibase

52884776

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(3-methylpyrazol-1-yl)imidazo[1,2-a]pyridin-3-yl]methyl]propan-1-amine N-[[2-(3-methylpyrazol-1-yl)imid…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.47	9.32	-40.68	2	5	1	52	270.36	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.47	7.96	-10.89	1	5	0	47	269.352	5	↓ MOL2 SDF SMILES Flexibase

52884777

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(3-methylpyrazol-1-yl)imidazo[1,2-a]pyridin-3-yl]methyl]ethanamine N-[[2-(3-methylpyrazol-1-yl)imid…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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	8.57	-40.2	2	5	1	52	256.333	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.97	7.19	-11.04	1	5	0	47	255.325	4	↓ MOL2 SDF SMILES Flexibase

52884778

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(3-methylpyrazol-1-yl)imidazo[1,2-a]pyridin-3-yl]methyl]propan-2-amine N-[[2-(3-methylpyrazol-1-yl)imid…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.26	9.08	-38.79	2	5	1	52	270.36	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.26	7.88	-12.29	1	5	0	47	269.352	4	↓ MOL2 SDF SMILES Flexibase

52884902

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(3-isopropylpyrazol-1-yl)imidazo[1,2-a]pyridin-3-yl]methanamine [2-(3-isopropylpyrazol-1-yl)imid…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.27	7.11	-46.19	3	5	1	63	256.333	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.27	6.7	-10.98	2	5	0	61	255.325	3	↓ MOL2 SDF SMILES Flexibase

52884904

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(3-isopropylpyrazol-1-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-methanamine 1-[2-(3-isopropylpyrazol-1-yl)im…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.65	8.98	-41.1	2	5	1	52	270.36	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.65	7.53	-12.25	1	5	0	47	269.352	4	↓ MOL2 SDF SMILES Flexibase

52884906

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(3-isopropylpyrazol-1-yl)imidazo[1,2-a]pyridin-3-yl]methyl]ethanamine N-[[2-(3-isopropylpyrazol-1-yl)i…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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	9.84	-39.71	2	5	1	52	284.387	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.02	8.46	-10.55	1	5	0	47	283.379	5	↓ MOL2 SDF SMILES Flexibase

52884922

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[2-(3-methylpyrazol-1-yl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic (E)-3-[2-(3-methylpyrazol-1-yl)i…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	1.82	8.13	-64.82	0	6	-1	75	267.268	3	↓ MOL2 SDF SMILES Flexibase

70327908

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-carbamoylpyrazol-1-yl)imidazo[1,2-a]pyridine-3-carboxylic 2-(3-carbamoylpyrazol-1-yl)imida…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	0.44	3.23	-58.53	2	8	-1	118	270.228	3	↓ MOL2 SDF SMILES Flexibase

70327937

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-(methylcarbamoyl)pyrazol-1-yl]imidazo[1,2-a]pyridine-3-carboxylic 2-[3-(methylcarbamoyl)pyrazol-1-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	0.81	4.72	-59.53	1	8	-1	104	284.255	3	↓ MOL2 SDF SMILES Flexibase

70328269

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-formylimidazo[1,2-a]pyridin-2-yl)-N-methyl-pyrazole-3-carboxamide 1-(3-formylimidazo[1,2-a]pyridin…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	1.03	5.48	-19.33	1	7	0	81	269.264	3	↓ MOL2 SDF SMILES Flexibase

70328278

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-formylimidazo[1,2-a]pyridin-2-yl)-N,N-dimethyl-pyrazole-3-carboxamide 1-(3-formylimidazo[1,2-a]pyridin…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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	7.48	-20.13	0	7	0	73	283.291	3	↓ MOL2 SDF SMILES Flexibase

70328305

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]-N-methyl-pyrazole-3-carboxamide 1-[3-(hydroxymethyl)imidazo[1,2-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	0.58	2.78	-16.81	2	7	0	84	271.28	3	↓ MOL2 SDF SMILES Flexibase

70328315

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]-N,N-dimethyl-pyrazole-3-carboxamide 1-[3-(hydroxymethyl)imidazo[1,2-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	0.82	4.78	-17.68	1	7	0	76	285.307	3	↓ MOL2 SDF SMILES Flexibase

70328383

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-2-yl]pyrazole-3-carboxamide 1-[3-(methylaminomethyl)imidazo[…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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	3.87	-50.27	4	7	1	95	271.304	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.43	2.42	-12.71	3	7	0	90	270.296	4	↓ MOL2 SDF SMILES Flexibase

70328420

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-(ethylaminomethyl)imidazo[1,2-a]pyridin-2-yl]pyrazole-3-carboxamide 1-[3-(ethylaminomethyl)imidazo[1…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	0.80	4.73	-49.24	4	7	1	95	285.331	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.80	3.36	-12.57	3	7	0	90	284.323	5	↓ MOL2 SDF SMILES Flexibase

70328481

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-2-yl]pyrazole-3-carboxamide N-methyl-1-[3-(methylaminomethyl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	0.80	5.36	-50.36	3	7	1	81	285.331	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.80	3.92	-12.99	2	7	0	76	284.323	4	↓ MOL2 SDF SMILES Flexibase

70328494

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]-N-methyl-pyrazole-3-carboxamide 1-[3-(aminomethyl)imidazo[1,2-a]…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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	3.49	-55.87	4	7	1	92	271.304	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.43	3.08	-15.15	3	7	0	90	270.296	3	↓ MOL2 SDF SMILES Flexibase

70328576

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]-N,N-dimethyl-pyrazole-3-carboxamide 1-[3-(aminomethyl)imidazo[1,2-a]…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	0.67	5.55	-57.8	3	7	1	83	285.331	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.67	5.14	-13.91	2	7	0	81	284.323	3	↓ MOL2 SDF SMILES Flexibase

70328736

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-[(2S)-2-aminopropyl]imidazo[1,2-a]pyridin-2-yl]pyrazole-3-carboxamide 1-[3-[(2S)-2-aminopropyl]imidazo…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	0.25	3.5	-44.06	5	7	1	106	285.331	4	↓ MOL2 SDF SMILES Flexibase

70328738

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-[(2R)-2-aminopropyl]imidazo[1,2-a]pyridin-2-yl]pyrazole-3-carboxamide 1-[3-[(2R)-2-aminopropyl]imidazo…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	0.25	3.51	-55.82	5	7	1	106	285.331	4	↓ MOL2 SDF SMILES Flexibase

70328759

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-2-yl]pyrazole-3-carboxamide 1-[3-(2-aminoethyl)imidazo[1,2-a…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	-0.15	2.76	-59.97	5	7	1	106	271.304	4	↓ MOL2 SDF SMILES Flexibase

70328833

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-2-yl]-N-methyl-pyrazole-3-carboxamide 1-[3-(2-aminoethyl)imidazo[1,2-a…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	0.23	4.25	-60.17	4	7	1	92	285.331	4	↓ MOL2 SDF SMILES Flexibase

70329002

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-carbamoylpyrazol-1-yl)imidazo[1,2-a]pyridine-3-carboxylic 2-(4-carbamoylpyrazol-1-yl)imida…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	0.13	3.26	-65.31	2	8	-1	118	270.228	3	↓ MOL2 SDF SMILES Flexibase

70329165

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-2-yl]pyrazole-4-carboxamide 1-[3-(methylaminomethyl)imidazo[…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	0.12	3.88	-51.85	4	7	1	95	271.304	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.12	2.43	-16.62	3	7	0	90	270.296	4	↓ MOL2 SDF SMILES Flexibase

70329204

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-(ethylaminomethyl)imidazo[1,2-a]pyridin-2-yl]pyrazole-4-carboxamide 1-[3-(ethylaminomethyl)imidazo[1…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	0.49	4.74	-50.67	4	7	1	95	285.331	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.49	3.36	-16.42	3	7	0	90	284.323	5	↓ MOL2 SDF SMILES Flexibase

70329277

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-[(2S)-2-aminopropyl]imidazo[1,2-a]pyridin-2-yl]pyrazole-4-carboxamide 1-[3-[(2S)-2-aminopropyl]imidazo…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	-0.06	3.51	-47.01	5	7	1	106	285.331	4	↓ MOL2 SDF SMILES Flexibase

70329278

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-[(2R)-2-aminopropyl]imidazo[1,2-a]pyridin-2-yl]pyrazole-4-carboxamide 1-[3-[(2R)-2-aminopropyl]imidazo…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	-0.06	3.51	-57.03	5	7	1	106	285.331	4	↓ MOL2 SDF SMILES Flexibase

70329297

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-2-yl]pyrazole-4-carboxamide 1-[3-(2-aminoethyl)imidazo[1,2-a…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	-0.46	2.77	-62.33	5	7	1	106	271.304	4	↓ MOL2 SDF SMILES Flexibase

42136685

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-nitropyrazol-1-yl)imidazo[1,2-a]pyridine-3-carboxylic 2-(4-nitropyrazol-1-yl)imidazo[1…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	1.27	7.28	-57.61	0	9	-1	121	272.2	3	↓ MOL2 SDF SMILES Flexibase

42136689

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-nitropyrazol-1-yl)imidazo[1,2-a]pyridine-3-carboxylic 2-(3-nitropyrazol-1-yl)imidazo[1…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	1.47	8.21	-67.83	0	9	-1	121	272.2	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 28568
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 = 28568 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=28568&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": "28568"        

    });
</script>

ZINC 12

User Information

Navigation

About

Search

Subsets

Help

Social

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations