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ZINC Item

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40339655

Analogs

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Popular Name: (4R)-4-(4-benzyloxyphenyl)-5-(3-methoxypropyl)-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4R)-4-(4-benzyloxyphenyl)-5-(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)	4.92	12.36	-12.97	1	6	0	67	453.542	9	↓ MOL2 SDF SMILES Flexibase

40339656

Analogs

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Popular Name: (4S)-4-(4-benzyloxyphenyl)-5-(3-methoxypropyl)-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4S)-4-(4-benzyloxyphenyl)-5-(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)	4.92	12.3	-15.1	1	6	0	67	453.542	9	↓ MOL2 SDF SMILES Flexibase

40339661

Analogs

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Popular Name: (4R)-4-(4-benzyloxyphenyl)-5-isobutyl-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4R)-4-(4-benzyloxyphenyl)-5-iso…

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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)	5.78	13.85	-11.46	1	5	0	58	437.543	7	↓ MOL2 SDF SMILES Flexibase

40339662

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-(4-benzyloxyphenyl)-5-isobutyl-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4S)-4-(4-benzyloxyphenyl)-5-iso…

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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)	5.78	14.19	-12.27	1	5	0	58	437.543	7	↓ MOL2 SDF SMILES Flexibase

40339665

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	5.34	12.97	-11.69	1	5	0	58	423.516	6	↓ MOL2 SDF SMILES Flexibase

40339666

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	5.34	13.31	-12.44	1	5	0	58	423.516	6	↓ MOL2 SDF SMILES Flexibase

40339667

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(4-benzyloxyphenyl)-5-butyl-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4R)-4-(4-benzyloxyphenyl)-5-but…

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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)	6.10	14.07	-11.54	1	5	0	58	437.543	8	↓ MOL2 SDF SMILES Flexibase

40339668

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-(4-benzyloxyphenyl)-5-butyl-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4S)-4-(4-benzyloxyphenyl)-5-but…

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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)	6.10	14	-12.7	1	5	0	58	437.543	8	↓ MOL2 SDF SMILES Flexibase

40339673

Analogs

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Popular Name: (4R)-4-(4-benzyloxyphenyl)-5-pentyl-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4R)-4-(4-benzyloxyphenyl)-5-pen…

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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)	6.61	14.84	-11.53	1	5	0	58	451.57	9	↓ MOL2 SDF SMILES Flexibase

40339674

Analogs

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Popular Name: (4S)-4-(4-benzyloxyphenyl)-5-pentyl-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4S)-4-(4-benzyloxyphenyl)-5-pen…

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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)	6.61	14.8	-12.65	1	5	0	58	451.57	9	↓ MOL2 SDF SMILES Flexibase

40339681

Analogs

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Popular Name: (4R)-4-(4-benzyloxyphenyl)-5-(2-methoxyethyl)-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4R)-4-(4-benzyloxyphenyl)-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)	4.65	11.66	-11.25	1	6	0	67	439.515	8	↓ MOL2 SDF SMILES Flexibase

40339682

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-(4-benzyloxyphenyl)-5-(2-methoxyethyl)-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4S)-4-(4-benzyloxyphenyl)-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)	4.65	11.82	-15.34	1	6	0	67	439.515	8	↓ MOL2 SDF SMILES Flexibase

40339683

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(4-benzyloxyphenyl)-3-phenyl-5-propyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4R)-4-(4-benzyloxyphenyl)-3-phe…

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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)	5.54	13.27	-11.59	1	5	0	58	423.516	7	↓ MOL2 SDF SMILES Flexibase

40339684

Analogs

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Popular Name: (4S)-4-(4-benzyloxyphenyl)-3-phenyl-5-propyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4S)-4-(4-benzyloxyphenyl)-3-phe…

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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)	5.54	13.23	-12.7	1	5	0	58	423.516	7	↓ MOL2 SDF SMILES Flexibase

40339687

Analogs

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Popular Name: (4R)-4-(4-benzyloxyphenyl)-5-tert-butyl-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4R)-4-(4-benzyloxyphenyl)-5-ter…

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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)	5.85	13.08	-11.02	1	5	0	58	437.543	6	↓ MOL2 SDF SMILES Flexibase

40339688

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-(4-benzyloxyphenyl)-5-tert-butyl-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4S)-4-(4-benzyloxyphenyl)-5-ter…

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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)	5.85	13.43	-11.78	1	5	0	58	437.543	6	↓ MOL2 SDF SMILES Flexibase

40339709

Analogs

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Popular Name: (4R)-4-(4-benzyloxy-3-methoxy-phenyl)-5-(3-methoxypropyl)-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol- (4R)-4-(4-benzyloxy-3-methoxy-ph…

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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)	4.51	12.2	-13.34	1	7	0	77	483.568	10	↓ MOL2 SDF SMILES Flexibase

40339710

Analogs

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Popular Name: (4S)-4-(4-benzyloxy-3-methoxy-phenyl)-5-(3-methoxypropyl)-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol- (4S)-4-(4-benzyloxy-3-methoxy-ph…

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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)	4.51	12.2	-15.7	1	7	0	77	483.568	10	↓ MOL2 SDF SMILES Flexibase

40339715

Analogs

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Popular Name: (4R)-4-(4-benzyloxy-3-methoxy-phenyl)-5-isobutyl-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4R)-4-(4-benzyloxy-3-methoxy-ph…

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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)	5.37	13.71	-11.64	1	6	0	67	467.569	8	↓ MOL2 SDF SMILES Flexibase

40339716

Analogs

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Popular Name: (4S)-4-(4-benzyloxy-3-methoxy-phenyl)-5-isobutyl-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4S)-4-(4-benzyloxy-3-methoxy-ph…

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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)	5.37	14.06	-13.25	1	6	0	67	467.569	8	↓ MOL2 SDF SMILES Flexibase

40339719

Analogs

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

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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)	4.92	12.82	-11.89	1	6	0	67	453.542	7	↓ MOL2 SDF SMILES Flexibase

40339720

Analogs

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

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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)	4.92	13.2	-13.49	1	6	0	67	453.542	7	↓ MOL2 SDF SMILES Flexibase

40339721

Analogs

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Popular Name: (4R)-4-(4-benzyloxy-3-methoxy-phenyl)-5-butyl-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4R)-4-(4-benzyloxy-3-methoxy-ph…

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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)	5.69	13.91	-11.8	1	6	0	67	467.569	9	↓ MOL2 SDF SMILES Flexibase

40339722

Analogs

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Popular Name: (4S)-4-(4-benzyloxy-3-methoxy-phenyl)-5-butyl-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4S)-4-(4-benzyloxy-3-methoxy-ph…

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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)	5.69	13.9	-13.63	1	6	0	67	467.569	9	↓ MOL2 SDF SMILES Flexibase

40339727

Analogs

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Popular Name: (4R)-4-(4-benzyloxy-3-methoxy-phenyl)-5-pentyl-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4R)-4-(4-benzyloxy-3-methoxy-ph…

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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)	6.20	14.69	-11.74	1	6	0	67	481.596	10	↓ MOL2 SDF SMILES Flexibase

40339728

Analogs

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Popular Name: (4S)-4-(4-benzyloxy-3-methoxy-phenyl)-5-pentyl-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4S)-4-(4-benzyloxy-3-methoxy-ph…

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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)	6.20	14.68	-13.57	1	6	0	67	481.596	10	↓ MOL2 SDF SMILES Flexibase

40339733

Analogs

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Popular Name: (4R)-4-(4-benzyloxy-3-methoxy-phenyl)-5-(2-methoxyethyl)-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6 (4R)-4-(4-benzyloxy-3-methoxy-ph…

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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)	4.24	11.49	-11.8	1	7	0	77	469.541	9	↓ MOL2 SDF SMILES Flexibase

40339734

Analogs

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Popular Name: (4S)-4-(4-benzyloxy-3-methoxy-phenyl)-5-(2-methoxyethyl)-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6 (4S)-4-(4-benzyloxy-3-methoxy-ph…

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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)	4.24	11.7	-16.15	1	7	0	77	469.541	9	↓ MOL2 SDF SMILES Flexibase

40339735

Analogs

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Popular Name: (4R)-4-(4-benzyloxy-3-methoxy-phenyl)-3-phenyl-5-propyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4R)-4-(4-benzyloxy-3-methoxy-ph…

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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)	5.13	13.13	-11.86	1	6	0	67	453.542	8	↓ MOL2 SDF SMILES Flexibase

40339736

Analogs

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Popular Name: (4S)-4-(4-benzyloxy-3-methoxy-phenyl)-3-phenyl-5-propyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4S)-4-(4-benzyloxy-3-methoxy-ph…

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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)	5.13	13.13	-13.66	1	6	0	67	453.542	8	↓ MOL2 SDF SMILES Flexibase

40339739

Analogs

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Popular Name: (4R)-4-(4-benzyloxy-3-methoxy-phenyl)-5-tert-butyl-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4R)-4-(4-benzyloxy-3-methoxy-ph…

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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)	5.44	12.95	-11.16	1	6	0	67	467.569	7	↓ MOL2 SDF SMILES Flexibase

40339740

Analogs

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Popular Name: (4S)-4-(4-benzyloxy-3-methoxy-phenyl)-5-tert-butyl-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4S)-4-(4-benzyloxy-3-methoxy-ph…

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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)	5.44	13.33	-12.79	1	6	0	67	467.569	7	↓ MOL2 SDF SMILES Flexibase

40339751

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Popular Name: (4R)-4-[4-[(2-chlorophenyl)methoxy]phenyl]-5-(3-methoxypropyl)-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyr (4R)-4-[4-[(2-chlorophenyl)metho…

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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	12.93	-11.79	1	6	0	67	487.987	9	↓ MOL2 SDF SMILES Flexibase

40339752

Analogs

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Popular Name: (4S)-4-[4-[(2-chlorophenyl)methoxy]phenyl]-5-(3-methoxypropyl)-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyr (4S)-4-[4-[(2-chlorophenyl)metho…

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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	12.89	-13.67	1	6	0	67	487.987	9	↓ MOL2 SDF SMILES Flexibase

40339757

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Popular Name: (4R)-4-[4-[(2-chlorophenyl)methoxy]phenyl]-5-isobutyl-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-on (4R)-4-[4-[(2-chlorophenyl)metho…

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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)	6.41	14.43	-10.01	1	5	0	58	471.988	7	↓ MOL2 SDF SMILES Flexibase

40339758

Analogs

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Popular Name: (4S)-4-[4-[(2-chlorophenyl)methoxy]phenyl]-5-isobutyl-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-on (4S)-4-[4-[(2-chlorophenyl)metho…

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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)	6.41	14.23	-11.04	1	5	0	58	471.988	7	↓ MOL2 SDF SMILES Flexibase

40339761

Analogs

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Popular Name: (4R)-4-[4-[(2-chlorophenyl)methoxy]phenyl]-5-isopropyl-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-o (4R)-4-[4-[(2-chlorophenyl)metho…

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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)	5.97	13.54	-10.36	1	5	0	58	457.961	6	↓ MOL2 SDF SMILES Flexibase

40339762

Analogs

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Popular Name: (4S)-4-[4-[(2-chlorophenyl)methoxy]phenyl]-5-isopropyl-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-o (4S)-4-[4-[(2-chlorophenyl)metho…

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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)	5.97	13.89	-11.22	1	5	0	58	457.961	6	↓ MOL2 SDF SMILES Flexibase

40339763

Analogs

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

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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)	6.73	14.64	-10.29	1	5	0	58	471.988	8	↓ MOL2 SDF SMILES Flexibase

40339764

Analogs

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

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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)	6.73	14.59	-11.38	1	5	0	58	471.988	8	↓ MOL2 SDF SMILES Flexibase

40339769

Analogs

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

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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)	7.24	15.42	-10.31	1	5	0	58	486.015	9	↓ MOL2 SDF SMILES Flexibase

40339770

Analogs

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

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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)	7.24	15.37	-11.33	1	5	0	58	486.015	9	↓ MOL2 SDF SMILES Flexibase

40339775

Analogs

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Popular Name: (4R)-4-[4-[(2-chlorophenyl)methoxy]phenyl]-5-(2-methoxyethyl)-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyra (4R)-4-[4-[(2-chlorophenyl)metho…

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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)	5.28	12.24	-10.09	1	6	0	67	473.96	8	↓ MOL2 SDF SMILES Flexibase

40339776

Analogs

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Popular Name: (4S)-4-[4-[(2-chlorophenyl)methoxy]phenyl]-5-(2-methoxyethyl)-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyra (4S)-4-[4-[(2-chlorophenyl)metho…

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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)	5.28	12.39	-14.01	1	6	0	67	473.96	8	↓ MOL2 SDF SMILES Flexibase

40339777

Analogs

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

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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)	6.17	13.86	-10.3	1	5	0	58	457.961	7	↓ MOL2 SDF SMILES Flexibase

40339778

Analogs

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

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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)	6.17	13.81	-11.4	1	5	0	58	457.961	7	↓ MOL2 SDF SMILES Flexibase

40339781

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Popular Name: (4R)-5-tert-butyl-4-[4-[(2-chlorophenyl)methoxy]phenyl]-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6- (4R)-5-tert-butyl-4-[4-[(2-chlor…

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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)	6.48	13.65	-9.74	1	5	0	58	471.988	6	↓ MOL2 SDF SMILES Flexibase

40339782

Analogs

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Popular Name: (4S)-5-tert-butyl-4-[4-[(2-chlorophenyl)methoxy]phenyl]-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6- (4S)-5-tert-butyl-4-[4-[(2-chlor…

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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)	6.48	14	-10.62	1	5	0	58	471.988	6	↓ MOL2 SDF SMILES Flexibase

40339791

Analogs

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Popular Name: (4R)-4-[4-[(4-chlorophenyl)methoxy]phenyl]-5-(3-methoxypropyl)-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyr (4R)-4-[4-[(4-chlorophenyl)metho…

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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	12.87	-13.64	1	6	0	67	487.987	9	↓ MOL2 SDF SMILES Flexibase

40339792

Analogs

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Popular Name: (4S)-4-[4-[(4-chlorophenyl)methoxy]phenyl]-5-(3-methoxypropyl)-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyr (4S)-4-[4-[(4-chlorophenyl)metho…

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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	12.83	-15.34	1	6	0	67	487.987	9	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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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 = 20788 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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