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)	2.10	5.06	-29.27	2	7	1	74	355.418	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.10	4.62	-14.16	1	7	0	73	354.41	5	↓ MOL2 SDF SMILES Flexibase

67433875

Analogs

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Popular Name: 1-[(4-fluorophenyl)methyl]-5-(2-methyl-6-propyl-pyrimidin-4-yl)-4,6-dihydropyrrolo[3,4-c]pyrazole 1-[(4-fluorophenyl)methyl]-5-(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)	3.25	11.6	-37.61	1	5	1	48	352.437	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.25	11.27	-11.2	0	5	0	47	351.429	5	↓ MOL2 SDF SMILES Flexibase

67434600

Analogs

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Popular Name: N-[3-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]phenyl]acetamide N-[3-[1-[(4-fluorophenyl)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)	1.51	8.21	-21.76	1	6	0	67	378.407	4	↓ MOL2 SDF SMILES Flexibase

67434711

Analogs

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Popular Name: 1-[(4-fluorophenyl)methyl]-5-[6-(2-methoxyphenyl)pyridazin-3-yl]-4,6-dihydropyrrolo[3,4-c]pyrazole 1-[(4-fluorophenyl)methyl]-5-[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)	3.94	11.45	-18.5	0	6	0	56	401.445	5	↓ MOL2 SDF SMILES Flexibase

67434917

Analogs

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Popular Name: 2-[5-(4-cyclobutyl-6-methyl-pyrimidin-2-yl)-4,6-dihydropyrrolo[3,4-c]pyrazol-1-yl]ethanol 2-[5-(4-cyclobutyl-6-methyl-pyri…

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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)	1.31	6.55	-9.39	1	6	0	67	299.378	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.31	6.92	-31.25	2	6	1	68	300.386	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.31	6.93	-33.05	2	6	1	68	300.386	4	↓ MOL2 SDF SMILES Flexibase

67434965

Analogs

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Popular Name: 6-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]pyridine-2-carbonitrile 6-[1-[(4-fluorophenyl)methyl]-4,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.38	9.61	-15.47	0	5	0	58	319.343	3	↓ MOL2 SDF SMILES Flexibase

67446532

Analogs

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Popular Name: 2-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-methyl-pyridine-3-carboxylic 2-[1-[(4-fluorophenyl)methyl]-4,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.13	11.55	-44.78	1	6	0	75	352.369	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.13	11.12	-51.1	0	6	-1	74	351.361	4	↓ MOL2 SDF SMILES Flexibase

67446688

Analogs

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Popular Name: 1-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-(2-methyl-1H-indol-3-yl)ethanone 1-[1-(2-hydroxyethyl)-4,6-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)	0.86	4.61	-14.91	2	6	0	74	324.384	4	↓ MOL2 SDF SMILES Flexibase

67446949

Analogs

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Popular Name: (2-benzylthiazol-4-yl)-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]methanone (2-benzylthiazol-4-yl)-[1-(2-hyd…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.26	5.13	-11.88	1	6	0	71	354.435	5	↓ MOL2 SDF SMILES Flexibase

67447016

Analogs

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Popular Name: (4S)-4-acetamido-5-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-5-oxo-pentanam (4S)-4-acetamido-5-[1-[(4-fluoro…

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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)	-0.52	4.67	-28.56	3	8	0	110	387.415	7	↓ MOL2 SDF SMILES Flexibase

67447021

Analogs

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Popular Name: 2-(2,5-dimethylphenyl)-1-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]ethanone 2-(2,5-dimethylphenyl)-1-[1-[(4-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.70	11.68	-11.97	0	4	0	38	363.436	4	↓ MOL2 SDF SMILES Flexibase

67447151

Analogs

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Popular Name: 4-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-methyl-pyrimidin-2-amine 4-[1-[(4-fluorophenyl)methyl]-4,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.89	9.56	-38.26	3	6	1	74	325.371	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.89	9.54	-37.97	3	6	1	74	325.371	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.89	9.11	-12.13	2	6	0	73	324.363	3	↓ MOL2 SDF SMILES Flexibase

67447318

Analogs

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Popular Name: 1-[(4-fluorophenyl)methyl]-5-(4-methylpyrimidin-2-yl)-4,6-dihydropyrrolo[3,4-c]pyrazole 1-[(4-fluorophenyl)methyl]-5-(4-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.60	10.46	-10.32	0	5	0	47	309.348	3	↓ MOL2 SDF SMILES Flexibase

67447417

Analogs

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Popular Name: 6-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-9H-purine 6-[1-[(4-fluorophenyl)methyl]-4,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.26	10.02	-13.52	1	7	0	76	335.346	3	↓ MOL2 SDF SMILES Flexibase

67457871

Analogs

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Popular Name: 2-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-methyl-pyridine-3-carbonitril 2-[1-[(4-fluorophenyl)methyl]-4,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.31	9.9	-11	0	5	0	58	333.37	3	↓ MOL2 SDF SMILES Flexibase

67458285

Analogs

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Popular Name: 2-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-N,N-dimethyl-pyrimidin-4-amine 2-[1-[(4-fluorophenyl)methyl]-4,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.61	11.8	-36.28	1	6	1	51	339.398	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.61	11.37	-10.97	0	6	0	50	338.39	4	↓ MOL2 SDF SMILES Flexibase

67458573

Analogs

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Popular Name: 5-(6-ethyl-2-methyl-pyrimidin-4-yl)-1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazole 5-(6-ethyl-2-methyl-pyrimidin-4-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.75	10.82	-37.3	1	5	1	48	338.41	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.75	10.49	-11.41	0	5	0	47	337.402	4	↓ MOL2 SDF SMILES Flexibase

67459538

Analogs

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Popular Name: (2-ethyl-5-methyl-pyrazol-3-yl)-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]me (2-ethyl-5-methyl-pyrazol-3-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)	2.07	8.59	-11.3	0	6	0	56	353.401	4	↓ MOL2 SDF SMILES Flexibase

67460054

Analogs

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Popular Name: 2-[5-(6-methoxypyrimidin-4-yl)-4,6-dihydropyrrolo[3,4-c]pyrazol-1-yl]ethanol 2-[5-(6-methoxypyrimidin-4-yl)-4…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.34	1.14	-9.05	1	7	0	76	261.285	4	↓ MOL2 SDF SMILES Flexibase

67472720

Analogs

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Popular Name: 6-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-N,N-dimethyl-pyridine-3-carboxa 6-[1-[(4-fluorophenyl)methyl]-4,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.52	9.07	-14.76	0	6	0	54	365.412	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.52	9.55	-46.14	1	6	1	56	366.42	4	↓ MOL2 SDF SMILES Flexibase

67472806

Analogs

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Popular Name: [1-(2-furylmethyl)-4-piperidyl]-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]methanone [1-(2-furylmethyl)-4-piperidyl]-…

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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)	0.14	5.17	-50.58	2	7	1	76	345.423	5	↓ MOL2 SDF SMILES Flexibase

67473356

Analogs

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Popular Name: 2-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(m-tolyl)pyridine-3-carboxylic 2-[1-(2-hydroxyethyl)-4,6-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)	2.00	8.74	-39.7	2	7	0	96	364.405	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.00	8.39	-52.91	1	7	-1	94	363.397	5	↓ MOL2 SDF SMILES Flexibase

67473526

Analogs

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Popular Name: 1-[(4-fluorophenyl)methyl]-5-[6-(trifluoromethyl)-2-pyridyl]-4,6-dihydropyrrolo[3,4-c]pyrazole 1-[(4-fluorophenyl)methyl]-5-[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)	3.52	10.32	-13.37	0	4	0	34	362.33	4	↓ MOL2 SDF SMILES Flexibase

67490293

Analogs

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Popular Name: [1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-(2-methyl-3-pyridyl)methanone [1-[(4-fluorophenyl)methyl]-4,6-…

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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)	1.46	8.26	-11.91	0	5	0	51	336.37	3	↓ MOL2 SDF SMILES Flexibase

67490320

Analogs

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Popular Name: [1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-(2-methoxy-4-methyl-phenyl)methan [1-[(4-fluorophenyl)methyl]-4,6-…

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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)	3.29	10.27	-13.59	0	5	0	47	365.408	4	↓ MOL2 SDF SMILES Flexibase

67490509

Analogs

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Popular Name: N-ethyl-2-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]pyridine-4-carboxamide N-ethyl-2-[1-[(4-fluorophenyl)me…

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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)	2.07	8.44	-13.49	1	6	0	63	365.412	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.07	8.83	-50.58	2	6	1	64	366.42	5	↓ MOL2 SDF SMILES Flexibase

67490667

Analogs

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Popular Name: 5-(6-ethylpyrimidin-4-yl)-1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazole 5-(6-ethylpyrimidin-4-yl)-1-[(4-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.66	10.53	-11.13	0	5	0	47	323.375	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.66	10.9	-40.28	1	5	1	48	324.383	4	↓ MOL2 SDF SMILES Flexibase

67490717

Analogs

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Popular Name: [1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-[3-(3-thienyl)-1H-pyrazol-5-yl]methanone [1-(2-hydroxyethyl)-4,6-dihydrop…

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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)	0.28	2.22	-11.31	2	7	0	87	329.385	4	↓ MOL2 SDF SMILES Flexibase

67490838

Analogs

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Popular Name: 2-[5-[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-c]pyrazol-1-yl]ethanol 2-[5-[6-(4-methylpyrazol-1-yl)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	5.63	-10.9	1	8	0	85	311.349	4	↓ MOL2 SDF SMILES Flexibase

67513567

Analogs

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Popular Name: (4R)-4-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]-1-isobutyl-pyrrolidin-2-one (4R)-4-[1-(2-hydroxyethyl)-4,6-d…

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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)	-0.34	3.12	-14.28	1	7	0	79	320.393	5	↓ MOL2 SDF SMILES Flexibase

67513568

Analogs

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Popular Name: (4S)-4-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]-1-isobutyl-pyrrolidin-2-one (4S)-4-[1-(2-hydroxyethyl)-4,6-d…

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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)	-0.34	3.13	-14.71	1	7	0	79	320.393	5	↓ MOL2 SDF SMILES Flexibase

67513579

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Popular Name: 2-[5-(5-ethyl-2-methyl-pyrimidin-4-yl)-4,6-dihydropyrrolo[3,4-c]pyrazol-1-yl]ethanol 2-[5-(5-ethyl-2-methyl-pyrimidin…

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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)	0.24	4.18	-8.45	1	6	0	67	273.34	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.24	4.64	-38.57	2	6	1	68	274.348	4	↓ MOL2 SDF SMILES Flexibase

67513644

Analogs

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Popular Name: 2-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]benzonitrile 2-[1-[(4-fluorophenyl)methyl]-4,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.02	9.69	-17.52	0	5	0	62	346.365	3	↓ MOL2 SDF SMILES Flexibase

67513690

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Popular Name: 6-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-N,N-dimethyl-pyrimidin-4-amine 6-[1-[(4-fluorophenyl)methyl]-4,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.09	10.74	-11.88	0	6	0	50	338.39	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.09	11.07	-40.15	1	6	1	51	339.398	4	↓ MOL2 SDF SMILES Flexibase

67513845

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Popular Name: [1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-(3-methoxy-2-methyl-phenyl)methan [1-[(4-fluorophenyl)methyl]-4,6-…

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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)	2.72	9.43	-12.11	0	5	0	47	365.408	4	↓ MOL2 SDF SMILES Flexibase

67514005

Analogs

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Popular Name: 1-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-(3-methoxyphenoxy)ethanone 1-[1-[(4-fluorophenyl)methyl]-4,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.79	9.72	-17.19	0	6	0	57	381.407	6	↓ MOL2 SDF SMILES Flexibase

67514480

Analogs

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Popular Name: (2-chloro-3-methyl-phenyl)-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]methano (2-chloro-3-methyl-phenyl)-[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)	3.34	10.49	-12.17	0	4	0	38	369.827	3	↓ MOL2 SDF SMILES Flexibase

67514730

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Popular Name: 3-[3-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-3-oxo-propyl]quinazolin-4-one 3-[3-[1-(2-hydroxyethyl)-4,6-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)	-0.31	5.03	-17.82	1	8	0	93	353.382	5	↓ MOL2 SDF SMILES Flexibase

67515016

Analogs

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Popular Name: [1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-(1-phenylcyclopropyl)methanone [1-(2-hydroxyethyl)-4,6-dihydrop…

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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	4.97	-10.67	1	5	0	58	297.358	4	↓ MOL2 SDF SMILES Flexibase

67515527

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Popular Name: 2-[5-[2-amino-6-(p-tolylsulfanyl)pyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-c]pyrazol-1-yl]ethanol 2-[5-[2-amino-6-(p-tolylsulfanyl…

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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)	1.98	7	-10.39	3	7	0	93	368.466	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.98	7.45	-34.18	4	7	1	94	369.474	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.98	7.4	-30.11	4	7	1	94	369.474	5	↓ MOL2 SDF SMILES Flexibase

67539858

Analogs

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Popular Name: 2-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]quinoline 2-[1-[(4-fluorophenyl)methyl]-4,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.80	11.46	-13.4	0	4	0	34	344.393	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.80	11.84	-36.31	1	4	1	35	345.401	3	↓ MOL2 SDF SMILES Flexibase

67539903

Analogs

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Popular Name: 4-amino-2-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]pyrimidine-5-carbonitrile 4-amino-2-[1-(2-hydroxyethyl)-4,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.67	2.63	-9.64	3	8	0	117	271.284	3	↓ MOL2 SDF SMILES Flexibase

67540507

Analogs

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Popular Name: 2-[5-(6-ethyl-2-pyrrolidin-1-yl-pyrimidin-4-yl)-4,6-dihydropyrrolo[3,4-c]pyrazol-1-yl]ethanol 2-[5-(6-ethyl-2-pyrrolidin-1-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)	1.63	7.94	-30.8	2	7	1	72	329.428	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.63	7.66	-11.22	1	7	0	70	328.42	5	↓ MOL2 SDF SMILES Flexibase

67541383

Analogs

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Popular Name: [1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-(5-phenoxy-2-furyl)methanone [1-(2-hydroxyethyl)-4,6-dihydrop…

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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)	1.53	5.34	-10.05	1	7	0	81	339.351	5	↓ 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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