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)	-0.28	1.32	-17.89	1	8	0	77	320.397	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.28	3.59	-54.44	2	8	1	78	321.405	6	↓ MOL2 SDF SMILES Flexibase

57279025

Analogs

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Popular Name: 2-(4,6-dimethylpyrazolo[4,3-c]pyrazol-1-yl)-N-(3-pyridyl)acetamide 2-(4,6-dimethylpyrazolo[4,3-c]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)	0.20	3.21	-17.58	1	7	0	78	270.296	3	↓ MOL2 SDF SMILES Flexibase

57279026

Analogs

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Popular Name: 2-(4-ethyl-6-methyl-pyrazolo[4,3-c]pyrazol-1-yl)-N-(3-pyridylmethyl)acetamide 2-(4-ethyl-6-methyl-pyrazolo[4,3…

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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)	0.11	4.16	-17.1	1	7	0	78	298.35	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.11	4.63	-49.7	2	7	1	79	299.358	5	↓ MOL2 SDF SMILES Flexibase

57279028

Analogs

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Popular Name: N-[3-(4,6-dimethylpyrazolo[4,3-c]pyrazol-1-yl)propyl]-2-fluoro-benzamide N-[3-(4,6-dimethylpyrazolo[4,3-c…

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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)	1.67	5.83	-17.56	1	6	0	65	315.352	5	↓ MOL2 SDF SMILES Flexibase

57279030

Analogs

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Popular Name: N-[3-(4,6-dimethylpyrazolo[4,3-c]pyrazol-1-yl)propyl]-3-methoxy-benzamide N-[3-(4,6-dimethylpyrazolo[4,3-c…

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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)	1.59	5.05	-16.43	1	7	0	74	327.388	6	↓ MOL2 SDF SMILES Flexibase

57279032

Analogs

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Popular Name: N-[3-(1,3-dimethylpyrazolo[4,3-c]pyrazol-4-yl)propyl]-2-(2-methylphenoxy)acetamide N-[3-(1,3-dimethylpyrazolo[4,3-c…

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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)	1.92	7.04	-17	1	7	0	74	341.415	7	↓ MOL2 SDF SMILES Flexibase

57279034

Analogs

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Popular Name: N-[3-(1,3-dimethylpyrazolo[4,3-c]pyrazol-4-yl)propyl]-2-(3-methylphenoxy)acetamide N-[3-(1,3-dimethylpyrazolo[4,3-c…

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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)	1.95	7	-17.46	1	7	0	74	341.415	7	↓ MOL2 SDF SMILES Flexibase

57279036

Analogs

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Popular Name: N-[3-(1,3-dimethylpyrazolo[4,3-c]pyrazol-4-yl)propyl]-2-(4-methylphenoxy)acetamide N-[3-(1,3-dimethylpyrazolo[4,3-c…

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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	7	-17.25	1	7	0	74	341.415	7	↓ MOL2 SDF SMILES Flexibase

57279038

Analogs

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Popular Name: N-[3-(4,6-dimethylpyrazolo[4,3-c]pyrazol-1-yl)propyl]-2-(2-fluorophenoxy)acetamide N-[3-(4,6-dimethylpyrazolo[4,3-c…

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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)	1.64	6.38	-21.07	1	7	0	74	345.378	7	↓ MOL2 SDF SMILES Flexibase

57279040

Analogs

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Popular Name: N-[3-(4,6-dimethylpyrazolo[4,3-c]pyrazol-1-yl)propyl]-2-(4-fluorophenoxy)acetamide N-[3-(4,6-dimethylpyrazolo[4,3-c…

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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)	1.69	6.39	-17.48	1	7	0	74	345.378	7	↓ MOL2 SDF SMILES Flexibase

57279042

Analogs

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Popular Name: N-[3-(4,6-dimethylpyrazolo[4,3-c]pyrazol-1-yl)propyl]cyclopentanecarboxamide N-[3-(4,6-dimethylpyrazolo[4,3-c…

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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)	1.62	5.32	-12.66	1	6	0	65	289.383	5	↓ MOL2 SDF SMILES Flexibase

57279044

Analogs

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Popular Name: N-[3-(4,6-dimethylpyrazolo[4,3-c]pyrazol-1-yl)propyl]cyclohexanecarboxamide N-[3-(4,6-dimethylpyrazolo[4,3-c…

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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)	2.13	6.02	-12.5	1	6	0	65	303.41	5	↓ MOL2 SDF SMILES Flexibase

57279045

Analogs

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Popular Name: N-[3-(4,6-dimethylpyrazolo[4,3-c]pyrazol-1-yl)propyl]furan-2-carboxamide N-[3-(4,6-dimethylpyrazolo[4,3-c…

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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)	0.81	3.77	-13.79	1	7	0	78	287.323	5	↓ MOL2 SDF SMILES Flexibase

57279048

Analogs

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Popular Name: N-[3-(4,6-dimethylpyrazolo[4,3-c]pyrazol-1-yl)propyl]benzenesulfonamide N-[3-(4,6-dimethylpyrazolo[4,3-c…

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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)	1.43	3.65	-16.44	1	7	0	82	333.417	6	↓ MOL2 SDF SMILES Flexibase

57279049

Analogs

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Popular Name: N-[3-(1,3-dimethylpyrazolo[4,3-c]pyrazol-4-yl)propyl]butane-1-sulfonamide N-[3-(1,3-dimethylpyrazolo[4,3-c…

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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)	1.33	2.9	-17.06	1	7	0	82	313.427	8	↓ MOL2 SDF SMILES Flexibase

57279052

Analogs

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Popular Name: N-[3-(1,3-dimethylpyrazolo[4,3-c]pyrazol-4-yl)propyl]-2,5-dimethyl-pyrazole-3-carboxamide N-[3-(1,3-dimethylpyrazolo[4,3-c…

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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)	0.46	4.07	-14.56	1	8	0	83	315.381	5	↓ MOL2 SDF SMILES Flexibase

57279055

Analogs

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Popular Name: N-[3-(4,6-dimethylpyrazolo[4,3-c]pyrazol-1-yl)propyl]-1,3-benzodioxole-5-carboxamide N-[3-(4,6-dimethylpyrazolo[4,3-c…

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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)	1.44	4.42	-16.86	1	8	0	83	341.371	5	↓ MOL2 SDF SMILES Flexibase

57279056

Analogs

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Popular Name: N-[3-(4,6-dimethylpyrazolo[4,3-c]pyrazol-1-yl)propyl]-2-(2-thienyl)acetamide N-[3-(4,6-dimethylpyrazolo[4,3-c…

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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	5.56	-15.22	1	6	0	65	317.418	6	↓ MOL2 SDF SMILES Flexibase

57279058

Analogs

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Popular Name: N-[3-(4,6-dimethylpyrazolo[4,3-c]pyrazol-1-yl)propyl]pyridine-3-carboxamide N-[3-(4,6-dimethylpyrazolo[4,3-c…

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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)	0.32	3.99	-14.21	1	7	0	78	298.35	5	↓ MOL2 SDF SMILES Flexibase

57279061

Analogs

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Popular Name: (2S)-N-[3-(4,6-dimethylpyrazolo[4,3-c]pyrazol-1-yl)propyl]tetrahydrofuran-2-carboxamide (2S)-N-[3-(4,6-dimethylpyrazolo[…

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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)	0.22	4.06	-16.41	1	7	0	74	291.355	5	↓ MOL2 SDF SMILES Flexibase

57279063

Analogs

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Popular Name: (2R)-N-[3-(4,6-dimethylpyrazolo[4,3-c]pyrazol-1-yl)propyl]tetrahydrofuran-2-carboxamide (2R)-N-[3-(4,6-dimethylpyrazolo[…

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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)	0.22	4.03	-16.53	1	7	0	74	291.355	5	↓ MOL2 SDF SMILES Flexibase

57279064

Analogs

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Popular Name: N-[3-(1,3-dimethylpyrazolo[4,3-c]pyrazol-4-yl)propyl]-5-methyl-furan-2-carboxamide N-[3-(1,3-dimethylpyrazolo[4,3-c…

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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)	1.03	4.59	-13.38	1	7	0	78	301.35	5	↓ MOL2 SDF SMILES Flexibase

57279066

Analogs

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Popular Name: N-[3-(1,3-dimethylpyrazolo[4,3-c]pyrazol-4-yl)propyl]-3-methyl-thiophene-2-carboxamide N-[3-(1,3-dimethylpyrazolo[4,3-c…

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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)	1.83	5.4	-12.93	1	6	0	65	317.418	5	↓ MOL2 SDF SMILES Flexibase

57279068

Analogs

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Popular Name: N-[3-(4,6-dimethylpyrazolo[4,3-c]pyrazol-1-yl)propyl]-4-methyl-thiadiazole-5-carboxamide N-[3-(4,6-dimethylpyrazolo[4,3-c…

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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)	0.61	2.93	-13.13	1	8	0	91	319.394	5	↓ MOL2 SDF SMILES Flexibase

57279070

Analogs

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Popular Name: (1R,2S)-N-[3-(4,6-dimethylpyrazolo[4,3-c]pyrazol-1-yl)propyl]-2-phenyl-cyclopropanecarboxamide (1R,2S)-N-[3-(4,6-dimethylpyrazo…

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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)	2.05	7.7	-13.51	1	6	0	65	337.427	6	↓ MOL2 SDF SMILES Flexibase

57279071

Analogs

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Popular Name: (1S,2S)-N-[3-(4,6-dimethylpyrazolo[4,3-c]pyrazol-1-yl)propyl]-2-phenyl-cyclopropanecarboxamide (1S,2S)-N-[3-(4,6-dimethylpyrazo…

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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)	2.05	7.78	-13.75	1	6	0	65	337.427	6	↓ MOL2 SDF SMILES Flexibase

57279074

Analogs

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Popular Name: (1R,2R)-N-[3-(4,6-dimethylpyrazolo[4,3-c]pyrazol-1-yl)propyl]-2-phenyl-cyclopropanecarboxamide (1R,2R)-N-[3-(4,6-dimethylpyrazo…

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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)	2.05	7.78	-13.81	1	6	0	65	337.427	6	↓ MOL2 SDF SMILES Flexibase

57279076

Analogs

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Popular Name: (1S,2R)-N-[3-(4,6-dimethylpyrazolo[4,3-c]pyrazol-1-yl)propyl]-2-phenyl-cyclopropanecarboxamide (1S,2R)-N-[3-(4,6-dimethylpyrazo…

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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)	2.05	7.7	-13.51	1	6	0	65	337.427	6	↓ MOL2 SDF SMILES Flexibase

57279078

Analogs

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Popular Name: N-[2-(4-ethyl-6-methyl-pyrazolo[4,3-c]pyrazol-1-yl)ethyl]-2-methoxy-acetamide N-[2-(4-ethyl-6-methyl-pyrazolo[…

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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)	-0.07	2.93	-18.49	1	7	0	74	265.317	6	↓ MOL2 SDF SMILES Flexibase

57279080

Analogs

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Popular Name: N-[2-(4-ethyl-6-methyl-pyrazolo[4,3-c]pyrazol-1-yl)ethyl]-2-(2-thienyl)acetamide N-[2-(4-ethyl-6-methyl-pyrazolo[…

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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	5.67	-17.53	1	6	0	65	317.418	6	↓ MOL2 SDF SMILES Flexibase

57279082

Analogs

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Popular Name: N-[2-(4-ethyl-6-methyl-pyrazolo[4,3-c]pyrazol-1-yl)ethyl]pyridine-2-carboxamide N-[2-(4-ethyl-6-methyl-pyrazolo[…

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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)	0.49	4.17	-14.63	1	7	0	78	298.35	5	↓ MOL2 SDF SMILES Flexibase

57279083

Analogs

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Popular Name: N-[2-(4-ethyl-6-methyl-pyrazolo[4,3-c]pyrazol-1-yl)ethyl]pyridine-3-carboxamide N-[2-(4-ethyl-6-methyl-pyrazolo[…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.42	4.1	-15.69	1	7	0	78	298.35	5	↓ MOL2 SDF SMILES Flexibase

57279085

Analogs

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Popular Name: (2S)-N-[2-(4-ethyl-6-methyl-pyrazolo[4,3-c]pyrazol-1-yl)ethyl]tetrahydrofuran-2-carboxamide (2S)-N-[2-(4-ethyl-6-methyl-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)	0.32	4.17	-18.99	1	7	0	74	291.355	5	↓ MOL2 SDF SMILES Flexibase

57279087

Analogs

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Popular Name: (2R)-N-[2-(4-ethyl-6-methyl-pyrazolo[4,3-c]pyrazol-1-yl)ethyl]tetrahydrofuran-2-carboxamide (2R)-N-[2-(4-ethyl-6-methyl-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)	0.32	4.14	-19.14	1	7	0	74	291.355	5	↓ MOL2 SDF SMILES Flexibase

57279089

Analogs

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Popular Name: N-[2-(4-ethyl-6-methyl-pyrazolo[4,3-c]pyrazol-1-yl)ethyl]-3-methyl-isoxazole-5-carboxamide N-[2-(4-ethyl-6-methyl-pyrazolo[…

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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)	0.60	3.48	-13.52	1	8	0	91	302.338	5	↓ MOL2 SDF SMILES Flexibase

57279091

Analogs

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Popular Name: N-[2-(4-ethyl-6-methyl-pyrazolo[4,3-c]pyrazol-1-yl)ethyl]-3-methyl-thiophene-2-carboxamide N-[2-(4-ethyl-6-methyl-pyrazolo[…

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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)	1.93	5.51	-14.45	1	6	0	65	317.418	5	↓ MOL2 SDF SMILES Flexibase

57279093

Analogs

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Popular Name: N-[2-(4-ethyl-6-methyl-pyrazolo[4,3-c]pyrazol-1-yl)ethyl]-4-methyl-thiadiazole-5-carboxamide N-[2-(4-ethyl-6-methyl-pyrazolo[…

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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)	0.71	3.04	-13.9	1	8	0	91	319.394	5	↓ MOL2 SDF SMILES Flexibase

57279095

Analogs

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Popular Name: (1R,2S)-N-[2-(4-ethyl-6-methyl-pyrazolo[4,3-c]pyrazol-1-yl)ethyl]-2-phenyl-cyclopropanecarboxamide (1R,2S)-N-[2-(4-ethyl-6-methyl-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)	2.15	7.81	-15.69	1	6	0	65	337.427	6	↓ MOL2 SDF SMILES Flexibase

57279097

Analogs

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Popular Name: (1S,2S)-N-[2-(4-ethyl-6-methyl-pyrazolo[4,3-c]pyrazol-1-yl)ethyl]-2-phenyl-cyclopropanecarboxamide (1S,2S)-N-[2-(4-ethyl-6-methyl-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)	2.15	7.89	-15.71	1	6	0	65	337.427	6	↓ MOL2 SDF SMILES Flexibase

57279099

Analogs

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Popular Name: (1R,2R)-N-[2-(4-ethyl-6-methyl-pyrazolo[4,3-c]pyrazol-1-yl)ethyl]-2-phenyl-cyclopropanecarboxamide (1R,2R)-N-[2-(4-ethyl-6-methyl-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)	2.15	7.89	-15.88	1	6	0	65	337.427	6	↓ MOL2 SDF SMILES Flexibase

57279101

Analogs

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Popular Name: (1S,2R)-N-[2-(4-ethyl-6-methyl-pyrazolo[4,3-c]pyrazol-1-yl)ethyl]-2-phenyl-cyclopropanecarboxamide (1S,2R)-N-[2-(4-ethyl-6-methyl-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)	2.15	7.81	-15.68	1	6	0	65	337.427	6	↓ MOL2 SDF SMILES Flexibase

57279255

Analogs

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Popular Name: N-[3-(1,3-dimethylpyrazolo[4,3-c]pyrazol-4-yl)propyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide N-[3-(1,3-dimethylpyrazolo[4,3-c…

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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)	0.63	5.47	-16.15	1	8	0	83	343.435	7	↓ MOL2 SDF SMILES Flexibase

57279257

Analogs

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Popular Name: N-[2-(4-ethyl-6-methyl-pyrazolo[4,3-c]pyrazol-1-yl)ethyl]-1,5-dimethyl-pyrazole-3-carboxamide N-[2-(4-ethyl-6-methyl-pyrazolo[…

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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	4.13	-16.92	1	8	0	83	315.381	5	↓ MOL2 SDF SMILES Flexibase

57279258

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Popular Name: 4-[(1,3-dimethylpyrazolo[4,3-c]pyrazol-4-yl)methyl]-N,N-diethyl-benzamide 4-[(1,3-dimethylpyrazolo[4,3-c]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)	1.78	8.2	-15.96	0	6	0	56	325.416	5	↓ MOL2 SDF SMILES Flexibase

57279671

Analogs

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Popular Name: [5-[(4,6-dimethylpyrazolo[4,3-c]pyrazol-1-yl)methyl]-2-furyl]-(1-piperidyl)methanone [5-[(4,6-dimethylpyrazolo[4,3-c]…

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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)	1.90	6.77	-13.25	0	7	0	69	327.388	3	↓ MOL2 SDF SMILES Flexibase

57279672

Analogs

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Popular Name: [5-[(4,6-dimethylpyrazolo[4,3-c]pyrazol-1-yl)methyl]-2-furyl]-(4-methylpiperazin-1-yl)methanone [5-[(4,6-dimethylpyrazolo[4,3-c]…

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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)	0.88	6.72	-52.33	1	8	1	74	343.411	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.88	4.35	-13.73	0	8	0	72	342.403	3	↓ MOL2 SDF SMILES Flexibase

57279675

Analogs

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Popular Name: 5-[(4,6-dimethylpyrazolo[4,3-c]pyrazol-1-yl)methyl]-N-[[(2S)-tetrahydrofuran-2-yl]methyl]furan-2-car 5-[(4,6-dimethylpyrazolo[4,3-c]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)	1.12	4.15	-14.01	1	8	0	87	343.387	5	↓ MOL2 SDF SMILES Flexibase

57279677

Analogs

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Popular Name: 5-[(4,6-dimethylpyrazolo[4,3-c]pyrazol-1-yl)methyl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]furan-2-car 5-[(4,6-dimethylpyrazolo[4,3-c]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)	1.12	4.18	-13.4	1	8	0	87	343.387	5	↓ MOL2 SDF SMILES Flexibase

57279679

Analogs

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Popular Name: N-cyclopropyl-5-[(4,6-dimethylpyrazolo[4,3-c]pyrazol-1-yl)methyl]furan-2-carboxamide N-cyclopropyl-5-[(4,6-dimethylpy…

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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)	1.11	4.72	-13.02	1	7	0	78	299.334	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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