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ZINC Item

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40344782

Analogs

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Popular Name: (4S)-4-(3-chlorophenyl)-5-cyclopentyl-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4S)-4-(3-chlorophenyl)-5-cyclop…

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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)	5.12	11.26	-9.04	1	5	0	58	407.901	4	↓ MOL2 SDF SMILES Flexibase

40344781

Analogs

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Popular Name: (4R)-4-(3-chlorophenyl)-5-cyclopentyl-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4R)-4-(3-chlorophenyl)-5-cyclop…

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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)	5.12	10.81	-8.39	1	5	0	58	407.901	4	↓ MOL2 SDF SMILES Flexibase

40344514

Analogs

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Popular Name: (4S)-5-cyclopentyl-4-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4S)-5-cyclopentyl-4-(4-ethoxyph…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.90	10.95	-11.45	1	6	0	67	417.509	6	↓ MOL2 SDF SMILES Flexibase

40344513

Analogs

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Popular Name: (4R)-5-cyclopentyl-4-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4R)-5-cyclopentyl-4-(4-ethoxyph…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.90	10.52	-10.5	1	6	0	67	417.509	6	↓ MOL2 SDF SMILES Flexibase

40344726

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(2-chlorophenyl)-5-cyclopentyl-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4R)-4-(2-chlorophenyl)-5-cyclop…

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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)	5.10	10.89	-8.29	1	5	0	58	407.901	4	↓ MOL2 SDF SMILES Flexibase

40344725

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-(2-chlorophenyl)-5-cyclopentyl-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4S)-4-(2-chlorophenyl)-5-cyclop…

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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)	5.10	10.82	-8.37	1	5	0	58	407.901	4	↓ MOL2 SDF SMILES Flexibase

40344674

Analogs

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Popular Name: (4S)-5-cyclopentyl-4-(3-ethoxy-4-hydroxy-phenyl)-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-c]pyrazo (4S)-5-cyclopentyl-4-(3-ethoxy-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)	4.18	8.79	-12.86	2	7	0	88	433.508	6	↓ MOL2 SDF SMILES Flexibase

40344673

Analogs

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Popular Name: (4R)-5-cyclopentyl-4-(3-ethoxy-4-hydroxy-phenyl)-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-c]pyrazo (4R)-5-cyclopentyl-4-(3-ethoxy-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)	4.18	8.31	-10.84	2	7	0	88	433.508	6	↓ MOL2 SDF SMILES Flexibase

40344622

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-5-cyclopentyl-4-(3-ethoxyphenyl)-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4S)-5-cyclopentyl-4-(3-ethoxyph…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.88	10.95	-9.76	1	6	0	67	417.509	6	↓ MOL2 SDF SMILES Flexibase

40344621

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-5-cyclopentyl-4-(3-ethoxyphenyl)-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4R)-5-cyclopentyl-4-(3-ethoxyph…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.88	10.52	-9.1	1	6	0	67	417.509	6	↓ MOL2 SDF SMILES Flexibase

40344566

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-5-cyclopentyl-4-(4-ethoxy-3-methoxy-phenyl)-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-c]pyrazo (4S)-5-cyclopentyl-4-(4-ethoxy-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)	4.49	10.86	-12.73	1	7	0	77	447.535	7	↓ MOL2 SDF SMILES Flexibase

40344565

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-5-cyclopentyl-4-(4-ethoxy-3-methoxy-phenyl)-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-c]pyrazo (4R)-5-cyclopentyl-4-(4-ethoxy-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)	4.49	10.37	-11.21	1	7	0	77	447.535	7	↓ MOL2 SDF SMILES Flexibase

40344884

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-5-cyclopentyl-4-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4R)-5-cyclopentyl-4-(2,4-dichlo…

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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)	5.75	11.35	-6.91	1	5	0	58	442.346	4	↓ MOL2 SDF SMILES Flexibase

40344883

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-5-cyclopentyl-4-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4S)-5-cyclopentyl-4-(2,4-dichlo…

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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)	5.75	11.33	-7.62	1	5	0	58	442.346	4	↓ MOL2 SDF SMILES Flexibase

40344462

Analogs

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Popular Name: (4S)-5-cyclopentyl-4-(4-hydroxy-3,5-dimethoxy-phenyl)-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-c]p (4S)-5-cyclopentyl-4-(4-hydroxy-…

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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)	3.82	7.75	-13.74	2	8	0	97	449.507	6	↓ MOL2 SDF SMILES Flexibase

40344461

Analogs

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Popular Name: (4R)-5-cyclopentyl-4-(4-hydroxy-3,5-dimethoxy-phenyl)-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-c]p (4R)-5-cyclopentyl-4-(4-hydroxy-…

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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)	3.82	7.24	-12.78	2	8	0	97	449.507	6	↓ MOL2 SDF SMILES Flexibase

40344834

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-(4-chlorophenyl)-5-cyclopentyl-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4S)-4-(4-chlorophenyl)-5-cyclop…

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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)	5.14	11.27	-10.26	1	5	0	58	407.901	4	↓ MOL2 SDF SMILES Flexibase

40344833

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(4-chlorophenyl)-5-cyclopentyl-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4R)-4-(4-chlorophenyl)-5-cyclop…

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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)	5.14	10.81	-9.39	1	5	0	58	407.901	4	↓ MOL2 SDF SMILES Flexibase

40336385

Analogs

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Popular Name: (4R)-5-cyclopentyl-3-phenyl-4-(p-tolyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4R)-5-cyclopentyl-3-phenyl-4-(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)	4.86	11.68	-9.07	1	4	0	49	357.457	3	↓ MOL2 SDF SMILES Flexibase

40336386

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-5-cyclopentyl-3-phenyl-4-(p-tolyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4S)-5-cyclopentyl-3-phenyl-4-(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)	4.86	12.11	-9.66	1	4	0	49	357.457	3	↓ MOL2 SDF SMILES Flexibase

40336487

Analogs

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Popular Name: (4R)-5-cyclopentyl-4-(4-nitrophenyl)-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4R)-5-cyclopentyl-4-(4-nitrophe…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.37	11.71	-12.57	1	7	0	95	388.427	4	↓ MOL2 SDF SMILES Flexibase

40336489

Analogs

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Popular Name: (4S)-5-cyclopentyl-4-(4-nitrophenyl)-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4S)-5-cyclopentyl-4-(4-nitrophe…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.37	12.16	-14.04	1	7	0	95	388.427	4	↓ MOL2 SDF SMILES Flexibase

40336590

Analogs

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Popular Name: (4R)-5-cyclopentyl-4-(3-nitrophenyl)-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4R)-5-cyclopentyl-4-(3-nitrophe…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.35	11.71	-9.99	1	7	0	95	388.427	4	↓ MOL2 SDF SMILES Flexibase

40336592

Analogs

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Popular Name: (4S)-5-cyclopentyl-4-(3-nitrophenyl)-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4S)-5-cyclopentyl-4-(3-nitrophe…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.35	12.15	-10.78	1	7	0	95	388.427	4	↓ MOL2 SDF SMILES Flexibase

40336689

Analogs

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Popular Name: (4R)-5-cyclopentyl-4-(4-hydroxyphenyl)-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4R)-5-cyclopentyl-4-(4-hydroxyp…

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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)	3.93	8.14	-10.78	2	5	0	69	359.429	3	↓ MOL2 SDF SMILES Flexibase

40336691

Analogs

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Popular Name: (4S)-5-cyclopentyl-4-(4-hydroxyphenyl)-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4S)-5-cyclopentyl-4-(4-hydroxyp…

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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)	3.93	8.59	-11.01	2	5	0	69	359.429	3	↓ MOL2 SDF SMILES Flexibase

40336792

Analogs

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Popular Name: (4R)-5-cyclopentyl-4-(4-ethylphenyl)-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4R)-5-cyclopentyl-4-(4-ethylphe…

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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)	5.32	12.44	-8.89	1	4	0	49	371.484	4	↓ MOL2 SDF SMILES Flexibase

40336794

Analogs

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Popular Name: (4S)-5-cyclopentyl-4-(4-ethylphenyl)-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4S)-5-cyclopentyl-4-(4-ethylphe…

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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)	5.32	12.87	-9.45	1	4	0	49	371.484	4	↓ MOL2 SDF SMILES Flexibase

40336896

Analogs

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Popular Name: (4R)-5-cyclopentyl-4-(4-isopropylphenyl)-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4R)-5-cyclopentyl-4-(4-isopropy…

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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)	5.92	12.93	-8.79	1	4	0	49	385.511	4	↓ MOL2 SDF SMILES Flexibase

40336898

Analogs

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Popular Name: (4S)-5-cyclopentyl-4-(4-isopropylphenyl)-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4S)-5-cyclopentyl-4-(4-isopropy…

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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)	5.92	13.36	-9.43	1	4	0	49	385.511	4	↓ MOL2 SDF SMILES Flexibase

40336996

Analogs

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Popular Name: (4R)-5-cyclopentyl-4-(4-methoxyphenyl)-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4R)-5-cyclopentyl-4-(4-methoxyp…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.47	10.3	-10.58	1	5	0	58	373.456	4	↓ MOL2 SDF SMILES Flexibase

40336998

Analogs

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Popular Name: (4S)-5-cyclopentyl-4-(4-methoxyphenyl)-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4S)-5-cyclopentyl-4-(4-methoxyp…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.47	10.73	-11.33	1	5	0	58	373.456	4	↓ MOL2 SDF SMILES Flexibase

40337108

Analogs

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Popular Name: (4R)-5-cyclopentyl-4-(4-methylsulfanylphenyl)-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4R)-5-cyclopentyl-4-(4-methylsu…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.84	12.02	-10.29	1	4	0	49	389.524	4	↓ MOL2 SDF SMILES Flexibase

40337110

Analogs

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Popular Name: (4S)-5-cyclopentyl-4-(4-methylsulfanylphenyl)-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4S)-5-cyclopentyl-4-(4-methylsu…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.84	12.46	-11.03	1	4	0	49	389.524	4	↓ MOL2 SDF SMILES Flexibase

40337203

Analogs

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Popular Name: (4S)-5-cyclopentyl-4-(2,4-dimethoxyphenyl)-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4S)-5-cyclopentyl-4-(2,4-dimeth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.45	9.78	-9.41	1	6	0	67	403.482	5	↓ MOL2 SDF SMILES Flexibase

40337205

Analogs

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Popular Name: (4R)-5-cyclopentyl-4-(2,4-dimethoxyphenyl)-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4R)-5-cyclopentyl-4-(2,4-dimeth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.45	10.3	-12.27	1	6	0	67	403.482	5	↓ MOL2 SDF SMILES Flexibase

40337409

Analogs

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Popular Name: (4R)-5-cyclopentyl-4-(4-hydroxy-3,5-dimethoxy-phenyl)-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-on (4R)-5-cyclopentyl-4-(4-hydroxy-…

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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)	3.77	7.98	-12.01	2	7	0	88	419.481	5	↓ MOL2 SDF SMILES Flexibase

40337410

Analogs

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Popular Name: (4S)-5-cyclopentyl-4-(4-hydroxy-3,5-dimethoxy-phenyl)-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-on (4S)-5-cyclopentyl-4-(4-hydroxy-…

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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)	3.77	8.45	-14.32	2	7	0	88	419.481	5	↓ MOL2 SDF SMILES Flexibase

40337517

Analogs

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Popular Name: (4R)-5-cyclopentyl-4-(4-ethoxyphenyl)-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4R)-5-cyclopentyl-4-(4-ethoxyph…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.84	11.23	-10.44	1	5	0	58	387.483	5	↓ MOL2 SDF SMILES Flexibase

40337519

Analogs

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Popular Name: (4S)-5-cyclopentyl-4-(4-ethoxyphenyl)-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4S)-5-cyclopentyl-4-(4-ethoxyph…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.84	11.66	-11.17	1	5	0	58	387.483	5	↓ MOL2 SDF SMILES Flexibase

40337622

Analogs

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Popular Name: (4R)-5-cyclopentyl-4-(4-ethoxy-3-methoxy-phenyl)-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4R)-5-cyclopentyl-4-(4-ethoxy-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)	4.43	11.07	-10.72	1	6	0	67	417.509	6	↓ MOL2 SDF SMILES Flexibase

40337624

Analogs

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Popular Name: (4S)-5-cyclopentyl-4-(4-ethoxy-3-methoxy-phenyl)-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4S)-5-cyclopentyl-4-(4-ethoxy-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)	4.43	11.56	-12.39	1	6	0	67	417.509	6	↓ MOL2 SDF SMILES Flexibase

40337733

Analogs

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Popular Name: (4R)-5-cyclopentyl-4-(3-ethoxyphenyl)-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4R)-5-cyclopentyl-4-(3-ethoxyph…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.82	11.23	-8.43	1	5	0	58	387.483	5	↓ MOL2 SDF SMILES Flexibase

40337735

Analogs

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Popular Name: (4S)-5-cyclopentyl-4-(3-ethoxyphenyl)-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4S)-5-cyclopentyl-4-(3-ethoxyph…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.82	11.66	-9.14	1	5	0	58	387.483	5	↓ MOL2 SDF SMILES Flexibase

40337832

Analogs

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Popular Name: (4R)-5-cyclopentyl-4-(3-ethoxy-4-hydroxy-phenyl)-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4R)-5-cyclopentyl-4-(3-ethoxy-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)	4.13	9.01	-10.48	2	6	0	78	403.482	5	↓ MOL2 SDF SMILES Flexibase

40337834

Analogs

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Popular Name: (4S)-5-cyclopentyl-4-(3-ethoxy-4-hydroxy-phenyl)-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4S)-5-cyclopentyl-4-(3-ethoxy-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)	4.13	9.49	-12.67	2	6	0	78	403.482	5	↓ MOL2 SDF SMILES Flexibase

40337937

Analogs

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Popular Name: (4S)-4-(2-chlorophenyl)-5-cyclopentyl-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4S)-4-(2-chlorophenyl)-5-cyclop…

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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)	5.04	11.51	-7.76	1	4	0	49	377.875	3	↓ MOL2 SDF SMILES Flexibase

40337939

Analogs

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Popular Name: (4R)-4-(2-chlorophenyl)-5-cyclopentyl-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4R)-4-(2-chlorophenyl)-5-cyclop…

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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)	5.04	11.59	-7.73	1	4	0	49	377.875	3	↓ MOL2 SDF SMILES Flexibase

40338049

Analogs

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Popular Name: (4R)-4-(3-chlorophenyl)-5-cyclopentyl-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4R)-4-(3-chlorophenyl)-5-cyclop…

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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)	5.06	11.52	-7.66	1	4	0	49	377.875	3	↓ MOL2 SDF SMILES Flexibase

40338051

Analogs

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Popular Name: (4S)-4-(3-chlorophenyl)-5-cyclopentyl-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4S)-4-(3-chlorophenyl)-5-cyclop…

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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)	5.06	11.96	-8.37	1	4	0	49	377.875	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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SQL Query Was

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