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ZINC Item

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40344873

Analogs

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

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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)	6.26	11.77	-7.22	1	5	0	58	456.373	4	↓ MOL2 SDF SMILES Flexibase

40344772

Analogs

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

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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)	5.63	11.74	-8.99	1	5	0	58	421.928	4	↓ MOL2 SDF SMILES Flexibase

40344771

Analogs

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

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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)	5.63	11.39	-8.3	1	5	0	58	421.928	4	↓ MOL2 SDF SMILES Flexibase

40344716

Analogs

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

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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)	5.60	11.39	-8.15	1	5	0	58	421.928	4	↓ MOL2 SDF SMILES Flexibase

40344715

Analogs

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

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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)	5.60	11.26	-8.34	1	5	0	58	421.928	4	↓ MOL2 SDF SMILES Flexibase

40344664

Analogs

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Popular Name: (4S)-5-cyclohexyl-4-(3-ethoxy-4-hydroxy-phenyl)-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-c]pyrazol (4S)-5-cyclohexyl-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)	4.69	9.28	-12.76	2	7	0	88	447.535	6	↓ MOL2 SDF SMILES Flexibase

40344663

Analogs

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Popular Name: (4R)-5-cyclohexyl-4-(3-ethoxy-4-hydroxy-phenyl)-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-c]pyrazol (4R)-5-cyclohexyl-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)	4.69	8.86	-10.67	2	7	0	88	447.535	6	↓ MOL2 SDF SMILES Flexibase

40344612

Analogs

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

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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)	5.38	11.45	-9.7	1	6	0	67	431.536	6	↓ MOL2 SDF SMILES Flexibase

40344611

Analogs

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

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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)	5.38	11.08	-9	1	6	0	67	431.536	6	↓ MOL2 SDF SMILES Flexibase

40344824

Analogs

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

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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)	5.65	11.75	-10.16	1	5	0	58	421.928	4	↓ MOL2 SDF SMILES Flexibase

40344823

Analogs

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

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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)	5.65	11.39	-9.23	1	5	0	58	421.928	4	↓ MOL2 SDF SMILES Flexibase

40344504

Analogs

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

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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)	5.41	11.45	-11.38	1	6	0	67	431.536	6	↓ MOL2 SDF SMILES Flexibase

40344503

Analogs

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

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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)	5.41	11.08	-10.44	1	6	0	67	431.536	6	↓ MOL2 SDF SMILES Flexibase

40344556

Analogs

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Popular Name: (4S)-5-cyclohexyl-4-(4-ethoxy-3-methoxy-phenyl)-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-c]pyrazol (4S)-5-cyclohexyl-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)	5.00	11.34	-12.58	1	7	0	77	461.562	7	↓ MOL2 SDF SMILES Flexibase

40344555

Analogs

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Popular Name: (4R)-5-cyclohexyl-4-(4-ethoxy-3-methoxy-phenyl)-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-c]pyrazol (4R)-5-cyclohexyl-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)	5.00	10.92	-11.14	1	7	0	77	461.562	7	↓ MOL2 SDF SMILES Flexibase

40344452

Analogs

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Popular Name: (4S)-5-cyclohexyl-4-(4-hydroxy-3,5-dimethoxy-phenyl)-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-c]py (4S)-5-cyclohexyl-4-(4-hydroxy-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)	4.33	8.18	-13.62	2	8	0	97	463.534	6	↓ MOL2 SDF SMILES Flexibase

40344451

Analogs

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Popular Name: (4R)-5-cyclohexyl-4-(4-hydroxy-3,5-dimethoxy-phenyl)-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-c]py (4R)-5-cyclohexyl-4-(4-hydroxy-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)	4.33	7.73	-12.61	2	8	0	97	463.534	6	↓ MOL2 SDF SMILES Flexibase

40336365

Analogs

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Popular Name: (4R)-5-cyclohexyl-3-phenyl-4-(p-tolyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4R)-5-cyclohexyl-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)	5.36	12.24	-8.98	1	4	0	49	371.484	3	↓ MOL2 SDF SMILES Flexibase

40336367

Analogs

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Popular Name: (4S)-5-cyclohexyl-3-phenyl-4-(p-tolyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4S)-5-cyclohexyl-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)	5.36	12.61	-9.58	1	4	0	49	371.484	3	↓ MOL2 SDF SMILES Flexibase

40336468

Analogs

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

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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)	4.87	12.29	-12.47	1	7	0	95	402.454	4	↓ MOL2 SDF SMILES Flexibase

40336470

Analogs

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

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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)	4.87	12.65	-13.88	1	7	0	95	402.454	4	↓ MOL2 SDF SMILES Flexibase

40336571

Analogs

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

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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)	4.85	12.29	-9.79	1	7	0	95	402.454	4	↓ MOL2 SDF SMILES Flexibase

40336573

Analogs

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

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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)	4.85	12.64	-10.61	1	7	0	95	402.454	4	↓ MOL2 SDF SMILES Flexibase

40336669

Analogs

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

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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)	4.44	8.72	-10.64	2	5	0	69	373.456	3	↓ MOL2 SDF SMILES Flexibase

40336671

Analogs

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

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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)	4.44	9.09	-10.93	2	5	0	69	373.456	3	↓ MOL2 SDF SMILES Flexibase

40336771

Analogs

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

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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)	5.83	13	-8.8	1	4	0	49	385.511	4	↓ MOL2 SDF SMILES Flexibase

40336773

Analogs

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

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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)	5.83	13.37	-9.46	1	4	0	49	385.511	4	↓ MOL2 SDF SMILES Flexibase

40336875

Analogs

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

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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)	6.43	13.49	-8.81	1	4	0	49	399.538	4	↓ MOL2 SDF SMILES Flexibase

40336877

Analogs

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

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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)	6.43	13.86	-9.35	1	4	0	49	399.538	4	↓ MOL2 SDF SMILES Flexibase

40336977

Analogs

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

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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)	4.97	10.86	-10.4	1	5	0	58	387.483	4	↓ MOL2 SDF SMILES Flexibase

40336979

Analogs

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

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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)	4.97	11.23	-11.3	1	5	0	58	387.483	4	↓ MOL2 SDF SMILES Flexibase

40337088

Analogs

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

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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)	5.35	12.58	-10.08	1	4	0	49	403.551	4	↓ MOL2 SDF SMILES Flexibase

40337090

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

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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)	5.35	12.95	-10.98	1	4	0	49	403.551	4	↓ MOL2 SDF SMILES Flexibase

40337182

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

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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)	4.96	10.39	-9.31	1	6	0	67	417.509	5	↓ MOL2 SDF SMILES Flexibase

40337184

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

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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)	4.96	10.96	-12.35	1	6	0	67	417.509	5	↓ MOL2 SDF SMILES Flexibase

40337286

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

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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)	4.56	10.7	-10.69	1	6	0	67	417.509	5	↓ MOL2 SDF SMILES Flexibase

40337288

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

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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)	4.56	11.13	-12.45	1	6	0	67	417.509	5	↓ MOL2 SDF SMILES Flexibase

40337389

Analogs

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Popular Name: (4R)-5-cyclohexyl-4-(4-hydroxy-3,5-dimethoxy-phenyl)-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4R)-5-cyclohexyl-4-(4-hydroxy-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)	4.27	8.45	-11.84	2	7	0	88	433.508	5	↓ MOL2 SDF SMILES Flexibase

40337391

Analogs

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Popular Name: (4S)-5-cyclohexyl-4-(4-hydroxy-3,5-dimethoxy-phenyl)-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4S)-5-cyclohexyl-4-(4-hydroxy-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)	4.27	8.87	-14.21	2	7	0	88	433.508	5	↓ MOL2 SDF SMILES Flexibase

40337496

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

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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)	5.35	11.79	-10.33	1	5	0	58	401.51	5	↓ MOL2 SDF SMILES Flexibase

40337498

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

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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)	5.35	12.15	-11.16	1	5	0	58	401.51	5	↓ MOL2 SDF SMILES Flexibase

40337601

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Popular Name: (4R)-5-cyclohexyl-4-(4-ethoxy-3-methoxy-phenyl)-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4R)-5-cyclohexyl-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)	4.94	11.62	-10.6	1	6	0	67	431.536	6	↓ MOL2 SDF SMILES Flexibase

40337604

Analogs

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Popular Name: (4S)-5-cyclohexyl-4-(4-ethoxy-3-methoxy-phenyl)-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4S)-5-cyclohexyl-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)	4.94	12.05	-12.22	1	6	0	67	431.536	6	↓ MOL2 SDF SMILES Flexibase

40337713

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

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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	11.79	-8.32	1	5	0	58	401.51	5	↓ MOL2 SDF SMILES Flexibase

40337715

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

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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	12.16	-9.04	1	5	0	58	401.51	5	↓ MOL2 SDF SMILES Flexibase

40337812

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Popular Name: (4R)-5-cyclohexyl-4-(3-ethoxy-4-hydroxy-phenyl)-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4R)-5-cyclohexyl-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)	4.63	9.56	-10.39	2	6	0	78	417.509	5	↓ MOL2 SDF SMILES Flexibase

40337814

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Popular Name: (4S)-5-cyclohexyl-4-(3-ethoxy-4-hydroxy-phenyl)-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4S)-5-cyclohexyl-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)	4.63	9.98	-12.49	2	6	0	78	417.509	5	↓ MOL2 SDF SMILES Flexibase

40337917

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

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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)	5.55	11.96	-7.91	1	4	0	49	391.902	3	↓ MOL2 SDF SMILES Flexibase

40337919

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

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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)	5.55	12.11	-7.65	1	4	0	49	391.902	3	↓ MOL2 SDF SMILES Flexibase

40338029

Analogs

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

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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)	5.57	12.09	-7.57	1	4	0	49	391.902	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 17867
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 17867 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=17867&filter.purchasability=annotated

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<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
        "ring.id": "17867"        

    });
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