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)	-0.40	6.73	-47.82	1	6	1	47	262.337	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.40	4.36	-14.08	0	6	0	46	261.329	2	↓ MOL2 SDF SMILES Flexibase

65495133

Analogs

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Popular Name: [(3R)-3-(dimethylamino)pyrrolidin-1-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone [(3R)-3-(dimethylamino)pyrrolidi…

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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)	-0.40	6.75	-47.82	1	6	1	47	262.337	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.40	4.36	-14.1	0	6	0	46	261.329	2	↓ MOL2 SDF SMILES Flexibase

65497912

Analogs

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Popular Name: N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-methyl-pyrazolo[1,5-a]imidazole-7-carboxamide N-ethyl-N-[(3-ethyl-1,2,4-oxadia…

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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)	-0.12	5.7	-17.52	0	8	0	81	302.338	5	↓ MOL2 SDF SMILES Flexibase

65506943

Analogs

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Popular Name: ethyl 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)	0.64	7.36	-15.39	1	7	0	78	290.323	5	↓ MOL2 SDF SMILES Flexibase

65507285

Analogs

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Popular Name: N-[(1R)-2-(5-fluoro-2-methyl-anilino)-1-methyl-2-oxo-ethyl]-1-methyl-pyrazolo[1,5-a]imidazole-7-carb N-[(1R)-2-(5-fluoro-2-methyl-ani…

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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)	1.35	6.86	-18.44	2	7	0	80	343.362	4	↓ MOL2 SDF SMILES Flexibase

65507287

Analogs

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Popular Name: N-[(1S)-2-(5-fluoro-2-methyl-anilino)-1-methyl-2-oxo-ethyl]-1-methyl-pyrazolo[1,5-a]imidazole-7-carb N-[(1S)-2-(5-fluoro-2-methyl-ani…

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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)	1.35	6.86	-18.07	2	7	0	80	343.362	4	↓ MOL2 SDF SMILES Flexibase

65507769

Analogs

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Popular Name: 1-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]pyrazolo[1,5-a]imidazole-7-carboxamide 1-methyl-N-[[2-(2-methylimidazol…

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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	8.71	-18.17	1	7	0	69	334.383	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.66	9.18	-36.04	2	7	1	70	335.391	4	↓ MOL2 SDF SMILES Flexibase

65507875

Analogs

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Popular Name: (3R)-2-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide (3R)-2-(1-methylimidazo[2,1-e]py…

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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)	0.12	6.83	-19.33	2	7	0	86	323.356	2	↓ MOL2 SDF SMILES Flexibase

65507877

Analogs

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Popular Name: (3S)-2-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide (3S)-2-(1-methylimidazo[2,1-e]py…

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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)	0.12	6.61	-19.96	2	7	0	86	323.356	2	↓ MOL2 SDF SMILES Flexibase

65525578

Analogs

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Popular Name: N-[(1R)-2-imidazol-1-yl-1-phenyl-ethyl]-1-methyl-imidazo[2,1-e]pyrazole-7-carboxamide N-[(1R)-2-imidazol-1-yl-1-phenyl…

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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)	0.94	10.9	-47.41	2	7	1	70	335.391	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.94	9.61	-16.09	1	7	0	69	334.383	5	↓ MOL2 SDF SMILES Flexibase

65525580

Analogs

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Popular Name: N-[(1S)-2-imidazol-1-yl-1-phenyl-ethyl]-1-methyl-imidazo[2,1-e]pyrazole-7-carboxamide N-[(1S)-2-imidazol-1-yl-1-phenyl…

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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)	0.94	10.95	-46.08	2	7	1	70	335.391	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.94	10.04	-15.96	1	7	0	69	334.383	5	↓ MOL2 SDF SMILES Flexibase

65526158

Analogs

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Popular Name: 1-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]imidazo[2,1-e]pyrazole-7-carboxamide 1-methyl-N-[[4-(2-oxopyrrolidin-…

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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)	0.44	7.78	-20.19	1	7	0	72	337.383	4	↓ MOL2 SDF SMILES Flexibase

65527474

Analogs

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Popular Name: N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-methyl-imidazo[2,1-e]pyrazole-7-carboxamide N-[(6-methoxy-2,3-dihydro-1,4-be…

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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)	0.57	5.14	-16.51	1	8	0	79	342.355	4	↓ MOL2 SDF SMILES Flexibase

65527976

Analogs

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Popular Name: [(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-(1-methylpyrazolo[1,5-a]imidazol-7-yl)methanone [(3R)-3-(3,5-dimethylpyrazol-1-y…

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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)	0.09	7.62	-18.26	0	7	0	60	312.377	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.09	7.73	-39.05	1	7	1	62	313.385	2	↓ MOL2 SDF SMILES Flexibase

65527978

Analogs

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Popular Name: [(3S)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-(1-methylpyrazolo[1,5-a]imidazol-7-yl)methanone [(3S)-3-(3,5-dimethylpyrazol-1-y…

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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)	0.09	7.64	-17.96	0	7	0	60	312.377	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.09	7.76	-39.88	1	7	1	62	313.385	2	↓ MOL2 SDF SMILES Flexibase

65528138

Analogs

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Popular Name: 3-[1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-4-piperidyl]benzonitrile 3-[1-(1-methylimidazo[2,1-e]pyra…

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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)	1.65	10.41	-17.1	0	6	0	66	333.395	2	↓ MOL2 SDF SMILES Flexibase

65528978

Analogs

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Popular Name: methyl methyl

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.54	8.42	-16.92	1	7	0	78	326.356	5	↓ MOL2 SDF SMILES Flexibase

65528981

Analogs

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Popular Name: methyl methyl

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.54	8.42	-16.89	1	7	0	78	326.356	5	↓ MOL2 SDF SMILES Flexibase

65530894

Analogs

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Popular Name: N-[[(1S)-isochroman-1-yl]methyl]-1-methyl-imidazo[2,1-e]pyrazole-7-carboxamide N-[[(1S)-isochroman-1-yl]methyl]…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.24	6.72	-14.98	1	6	0	61	310.357	3	↓ MOL2 SDF SMILES Flexibase

65530895

Analogs

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Popular Name: N-[[(1R)-isochroman-1-yl]methyl]-1-methyl-imidazo[2,1-e]pyrazole-7-carboxamide N-[[(1R)-isochroman-1-yl]methyl]…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.24	6.79	-14.93	1	6	0	61	310.357	3	↓ MOL2 SDF SMILES Flexibase

65535749

Analogs

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Popular Name: ethyl 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)	0.21	6.49	-18.82	1	7	0	78	278.312	6	↓ MOL2 SDF SMILES Flexibase

65535752

Analogs

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Popular Name: ethyl 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)	0.21	6.49	-18.84	1	7	0	78	278.312	6	↓ MOL2 SDF SMILES Flexibase

65536333

Analogs

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Popular Name: N'-[1-(2,3-dihydro-1H-inden-5-yl)ethylidene]-2-{3-nitrophenoxy}propanohydrazide N'-[1-(2,3-dihydro-1H-inden-5-yl…

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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)	-0.89	1.31	-43	4	7	1	87	264.309	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.89	-1.18	-15.92	3	7	0	86	263.301	3	↓ MOL2 SDF SMILES Flexibase

67446838

Analogs

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Popular Name: (1-methylpyrazolo[1,5-a]imidazol-7-yl)-[4-[4-(m-tolyl)-1H-pyrazol-5-yl]-1-piperidyl]methanone (1-methylpyrazolo[1,5-a]imidazol…

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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)	2.22	10.66	-16.43	1	7	0	71	388.475	3	↓ MOL2 SDF SMILES Flexibase

67447050

Analogs

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Popular Name: N-[(5-cyclopropyl-1H-pyrazol-3-yl)methyl]-N,1-dimethyl-imidazo[2,1-e]pyrazole-7-carboxamide N-[(5-cyclopropyl-1H-pyrazol-3-y…

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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)	0.06	7.01	-18.61	1	7	0	71	298.35	4	↓ MOL2 SDF SMILES Flexibase

67459612

Analogs

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Popular Name: [4-(4-ethyl-1H-pyrazol-5-yl)-1-piperidyl]-(1-methylpyrazolo[1,5-a]imidazol-7-yl)methanone [4-(4-ethyl-1H-pyrazol-5-yl)-1-p…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.91	7.82	-16.31	1	7	0	71	326.404	3	↓ MOL2 SDF SMILES Flexibase

67473010

Analogs

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Popular Name: (3-isopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(1-methylpyrazolo[1,5-a]imidazol-7-yl)me (3-isopropyl-1,4,6,7-tetrahydrop…

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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)	0.72	6.94	-15.71	1	7	0	71	312.377	2	↓ MOL2 SDF SMILES Flexibase

67562904

Analogs

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Popular Name: [(3S,4S)-4-(1,3-benzodioxol-5-yl)-3-hydroxy-1-piperidyl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methano [(3S,4S)-4-(1,3-benzodioxol-5-yl…

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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)	0.90	5.38	-18.06	1	8	0	81	368.393	2	↓ MOL2 SDF SMILES Flexibase

67725448

Analogs

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Popular Name: 1-methyl-N-[[2-(2-methylphenoxy)-3-pyridyl]methyl]pyrazolo[1,5-a]imidazole-7-carboxamide 1-methyl-N-[[2-(2-methylphenoxy)…

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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)	2.28	7.65	-17.27	1	7	0	73	361.405	5	↓ MOL2 SDF SMILES Flexibase

67726976

Analogs

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Popular Name: N-[2-[(2R)-4-isobutylmorpholin-2-yl]ethyl]-1-methyl-pyrazolo[1,5-a]imidazole-7-carboxamide N-[2-[(2R)-4-isobutylmorpholin-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)	0.57	5.45	-14.98	1	7	0	64	333.436	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.57	7.46	-48.7	2	7	1	65	334.444	6	↓ MOL2 SDF SMILES Flexibase

67726980

Analogs

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Popular Name: N-[2-[(2S)-4-isobutylmorpholin-2-yl]ethyl]-1-methyl-pyrazolo[1,5-a]imidazole-7-carboxamide N-[2-[(2S)-4-isobutylmorpholin-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)	0.57	5.47	-14.97	1	7	0	64	333.436	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.57	7.47	-48.64	2	7	1	65	334.444	6	↓ MOL2 SDF SMILES Flexibase

67743116

Analogs

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Popular Name: [(5S)-3,7-diazaspiro[4.5]decan-3-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone [(5S)-3,7-diazaspiro[4.5]decan-3…

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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)	-0.51	6.04	-50.56	2	6	1	59	288.375	1	↓ MOL2 SDF SMILES Flexibase

67743119

Analogs

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Popular Name: [(5R)-3,7-diazaspiro[4.5]decan-3-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone [(5R)-3,7-diazaspiro[4.5]decan-3…

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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)	-0.51	6.15	-55.14	2	6	1	59	288.375	1	↓ MOL2 SDF SMILES Flexibase

67755701

Analogs

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Popular Name: N,1-dimethyl-N-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-ylmethyl)imidazo[2,1-e]pyrazole-7-carboxami N,1-dimethyl-N-(2,4,5,6-tetrahyd…

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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)	0.13	6.62	-17.38	1	7	0	71	298.35	3	↓ MOL2 SDF SMILES Flexibase

67755744

Analogs

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Popular Name: 4-ethyl-2-methyl-5-[[1-(1-methylpyrazolo[1,5-a]imidazole-7-carbonyl)-4-piperidyl]methyl]-1,2,4-triaz 4-ethyl-2-methyl-5-[[1-(1-methyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.26	9.82	-23.75	0	9	0	82	371.445	4	↓ MOL2 SDF SMILES Flexibase

67946952

Analogs

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Popular Name: 1-methyl-N-[[3-(1H-tetrazol-5-yl)phenyl]methyl]imidazo[2,1-e]pyrazole-7-carboxamide 1-methyl-N-[[3-(1H-tetrazol-5-yl…

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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)	0.48	5.05	-51.06	1	9	-1	104	321.324	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.48	5.13	-19.96	2	9	0	106	322.332	4	↓ MOL2 SDF SMILES Flexibase

67954416

Analogs

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Popular Name: 4-ethyl-3-[1-(1H-pyrazolo[1,5-a]imidazole-7-carbonyl)-4-piperidyl]-1H-1,2,4-triazol-5-one 4-ethyl-3-[1-(1H-pyrazolo[1,5-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)	-0.97	5.42	-22.96	2	9	0	104	329.364	3	↓ MOL2 SDF SMILES Flexibase

67955774

Analogs

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Popular Name: N-[(5-chloro-1H-benzimidazol-2-yl)methyl]-N,1-dimethyl-imidazo[2,1-e]pyrazole-7-carboxamide N-[(5-chloro-1H-benzimidazol-2-y…

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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)	1.10	7.78	-21.38	1	7	0	71	342.79	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.10	8.57	-39.26	2	7	1	72	343.798	3	↓ MOL2 SDF SMILES Flexibase

67965120

Analogs

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Popular Name: N-[2-(1H-indol-3-yl)ethyl]-1-methyl-imidazo[2,1-e]pyrazole-7-carboxamide N-[2-(1H-indol-3-yl)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)	1.63	7.5	-17.75	2	6	0	67	307.357	4	↓ MOL2 SDF SMILES Flexibase

67965381

Analogs

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Popular Name: (2S,4S)-4-amino-N,N-diethyl-1-(1-methylpyrazolo[1,5-a]imidazole-7-carbonyl)pyrrolidine-2-carboxamide (2S,4S)-4-amino-N,N-diethyl-1-(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)	-1.47	4.99	-72.15	3	8	1	91	333.416	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-1.47	4.71	-21.79	2	8	0	89	332.408	4	↓ MOL2 SDF SMILES Flexibase

67967708

Analogs

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Popular Name: [(3S,4S)-3-hydroxy-4-(2-naphthyl)-1-piperidyl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone [(3S,4S)-3-hydroxy-4-(2-naphthyl…

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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)	2.19	8.98	-16.41	1	6	0	63	374.444	2	↓ MOL2 SDF SMILES Flexibase

67974410

Analogs

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Popular Name: N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-1-methyl-imidazo[2,1-e]py N-[(7S,8aS)-2-methyl-3,4,6,7,8,8…

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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	4.97	-47.5	2	7	1	59	303.39	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.30	2.61	-13.05	1	7	0	58	302.382	2	↓ MOL2 SDF SMILES Flexibase

67982596

Analogs

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Popular Name: 4-ethyl-3-[(3R)-1-(1H-pyrazolo[1,5-a]imidazole-7-carbonyl)-3-piperidyl]-1H-1,2,4-triazol-5-one 4-ethyl-3-[(3R)-1-(1H-pyrazolo[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)	-0.97	5.22	-18.41	2	9	0	104	329.364	3	↓ MOL2 SDF SMILES Flexibase

67982598

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-3-[(3S)-1-(1H-pyrazolo[1,5-a]imidazole-7-carbonyl)-3-piperidyl]-1H-1,2,4-triazol-5-one 4-ethyl-3-[(3S)-1-(1H-pyrazolo[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)	-0.97	5.41	-18.82	2	9	0	104	329.364	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
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Structural Results Found: (before additional filtering)

SQL Query Was

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