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ZINC Item

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40339689

Analogs

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Popular Name: (4R)-4-(4-benzyloxyphenyl)-3-phenyl-5-(p-tolylmethyl)-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)	6.51	16.23	-12.71	1	5	0	58	485.587	7	↓ MOL2 SDF SMILES Flexibase

40339690

Analogs

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Popular Name: (4S)-4-(4-benzyloxyphenyl)-3-phenyl-5-(p-tolylmethyl)-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)	6.51	15.74	-13.09	1	5	0	58	485.587	7	↓ MOL2 SDF SMILES Flexibase

40339693

Analogs

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Popular Name: (4R)-4-(4-benzyloxyphenyl)-5-[(4-methoxyphenyl)methyl]-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-o (4R)-4-(4-benzyloxyphenyl)-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)	6.12	14.84	-14.38	1	6	0	67	501.586	8	↓ MOL2 SDF SMILES Flexibase

40339694

Analogs

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Popular Name: (4S)-4-(4-benzyloxyphenyl)-5-[(4-methoxyphenyl)methyl]-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-o (4S)-4-(4-benzyloxyphenyl)-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)	6.12	14.36	-14.86	1	6	0	67	501.586	8	↓ MOL2 SDF SMILES Flexibase

40339701

Analogs

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Popular Name: (4R)-4-(4-benzyloxyphenyl)-5-[(4-fluorophenyl)methyl]-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-on (4R)-4-(4-benzyloxyphenyl)-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)	6.22	14.78	-13.5	1	5	0	58	489.55	7	↓ MOL2 SDF SMILES Flexibase

40339702

Analogs

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Popular Name: (4S)-4-(4-benzyloxyphenyl)-5-[(4-fluorophenyl)methyl]-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-on (4S)-4-(4-benzyloxyphenyl)-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)	6.22	16	-13.98	1	5	0	58	489.55	7	↓ MOL2 SDF SMILES Flexibase

40339703

Analogs

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Popular Name: (4R)-4-(4-benzyloxyphenyl)-5-[(2-chlorophenyl)methyl]-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-on (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)	6.69	15.24	-12.65	1	5	0	58	506.005	7	↓ MOL2 SDF SMILES Flexibase

40339704

Analogs

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Popular Name: (4S)-4-(4-benzyloxyphenyl)-5-[(2-chlorophenyl)methyl]-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-on (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)	6.69	16.28	-13.98	1	5	0	58	506.005	7	↓ MOL2 SDF SMILES Flexibase

40339705

Analogs

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Popular Name: (4R)-4-(4-benzyloxyphenyl)-5-[(4-chlorophenyl)methyl]-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-on (4R)-4-(4-benzyloxyphenyl)-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)	6.74	15.23	-12.77	1	5	0	58	506.005	7	↓ MOL2 SDF SMILES Flexibase

40339706

Analogs

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Popular Name: (4S)-4-(4-benzyloxyphenyl)-5-[(4-chlorophenyl)methyl]-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-on (4S)-4-(4-benzyloxyphenyl)-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)	6.74	16.45	-13.37	1	5	0	58	506.005	7	↓ MOL2 SDF SMILES Flexibase

40339707

Analogs

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

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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)	6.06	15.55	-12.55	1	5	0	58	471.56	7	↓ MOL2 SDF SMILES Flexibase

40339708

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	6.06	15.07	-13.1	1	5	0	58	471.56	7	↓ MOL2 SDF SMILES Flexibase

40339741

Analogs

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Popular Name: (4R)-4-(4-benzyloxy-3-methoxy-phenyl)-3-phenyl-5-(p-tolylmethyl)-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)	6.10	16.06	-12.75	1	6	0	67	515.613	8	↓ MOL2 SDF SMILES Flexibase

40339742

Analogs

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Popular Name: (4S)-4-(4-benzyloxy-3-methoxy-phenyl)-3-phenyl-5-(p-tolylmethyl)-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)	6.10	15.64	-13.69	1	6	0	67	515.613	8	↓ MOL2 SDF SMILES Flexibase

40339747

Analogs

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Popular Name: (4R)-4-(4-benzyloxy-3-methoxy-phenyl)-5-[(4-fluorophenyl)methyl]-3-phenyl-1,4-dihydropyrrolo[3,4-c]p (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)	5.81	14.56	-12.5	1	6	0	67	519.576	8	↓ MOL2 SDF SMILES Flexibase

40339748

Analogs

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Popular Name: (4S)-4-(4-benzyloxy-3-methoxy-phenyl)-5-[(4-fluorophenyl)methyl]-3-phenyl-1,4-dihydropyrrolo[3,4-c]p (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)	5.81	15.88	-15.14	1	6	0	67	519.576	8	↓ MOL2 SDF SMILES Flexibase

40339749

Analogs

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

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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	14.5	-11.92	1	6	0	67	501.586	8	↓ MOL2 SDF SMILES Flexibase

40339750

Analogs

Draw Identity 99% 90% 80% 70%

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

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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	15.81	-14.31	1	6	0	67	501.586	8	↓ MOL2 SDF SMILES Flexibase

40339783

Analogs

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Popular Name: (4R)-4-[4-[(2-chlorophenyl)methoxy]phenyl]-3-phenyl-5-(p-tolylmethyl)-1,4-dihydropyrrolo[3,4-c]pyraz (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)	7.14	16.8	-11.3	1	5	0	58	520.032	7	↓ MOL2 SDF SMILES Flexibase

40339784

Analogs

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Popular Name: (4S)-4-[4-[(2-chlorophenyl)methoxy]phenyl]-3-phenyl-5-(p-tolylmethyl)-1,4-dihydropyrrolo[3,4-c]pyraz (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)	7.14	16.32	-11.82	1	5	0	58	520.032	7	↓ MOL2 SDF SMILES Flexibase

40339789

Analogs

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

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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)	6.69	16.12	-11.26	1	5	0	58	506.005	7	↓ MOL2 SDF SMILES Flexibase

40339790

Analogs

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

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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)	6.69	15.65	-11.77	1	5	0	58	506.005	7	↓ MOL2 SDF SMILES Flexibase

40339823

Analogs

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Popular Name: (4R)-4-[4-[(4-chlorophenyl)methoxy]phenyl]-3-phenyl-5-(p-tolylmethyl)-1,4-dihydropyrrolo[3,4-c]pyraz (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)	7.19	16.75	-13.27	1	5	0	58	520.032	7	↓ MOL2 SDF SMILES Flexibase

40339824

Analogs

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Popular Name: (4S)-4-[4-[(4-chlorophenyl)methoxy]phenyl]-3-phenyl-5-(p-tolylmethyl)-1,4-dihydropyrrolo[3,4-c]pyraz (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)	7.19	16.26	-13.64	1	5	0	58	520.032	7	↓ MOL2 SDF SMILES Flexibase

40339829

Analogs

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

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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)	6.74	16.07	-13.22	1	5	0	58	506.005	7	↓ MOL2 SDF SMILES Flexibase

40339830

Analogs

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

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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)	6.74	15.59	-13.57	1	5	0	58	506.005	7	↓ MOL2 SDF SMILES Flexibase

40341777

Analogs

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Popular Name: (4R)-4-(4-benzyloxyphenyl)-3-(p-tolyl)-5-(p-tolylmethyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4R)-4-(4-benzyloxyphenyl)-3-(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)	6.96	16.91	-12.47	1	5	0	58	499.614	7	↓ MOL2 SDF SMILES Flexibase

40341778

Analogs

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Popular Name: (4S)-4-(4-benzyloxyphenyl)-3-(p-tolyl)-5-(p-tolylmethyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4S)-4-(4-benzyloxyphenyl)-3-(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)	6.96	16.41	-12.99	1	5	0	58	499.614	7	↓ MOL2 SDF SMILES Flexibase

40341779

Analogs

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Popular Name: (4R)-4-(4-benzyloxyphenyl)-5-[(4-methoxyphenyl)methyl]-3-(p-tolyl)-1,4-dihydropyrrolo[3,4-c]pyrazol- (4R)-4-(4-benzyloxyphenyl)-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)	6.57	15.55	-14.16	1	6	0	67	515.613	8	↓ MOL2 SDF SMILES Flexibase

40341780

Analogs

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Popular Name: (4S)-4-(4-benzyloxyphenyl)-5-[(4-methoxyphenyl)methyl]-3-(p-tolyl)-1,4-dihydropyrrolo[3,4-c]pyrazol- (4S)-4-(4-benzyloxyphenyl)-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)	6.57	15.06	-14.57	1	6	0	67	515.613	8	↓ MOL2 SDF SMILES Flexibase

40341787

Analogs

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Popular Name: (4R)-4-(4-benzyloxyphenyl)-5-[(4-fluorophenyl)methyl]-3-(p-tolyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6 (4R)-4-(4-benzyloxyphenyl)-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)	6.67	16.31	-13.1	1	5	0	58	503.577	7	↓ MOL2 SDF SMILES Flexibase

40341788

Analogs

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Popular Name: (4S)-4-(4-benzyloxyphenyl)-5-[(4-fluorophenyl)methyl]-3-(p-tolyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6 (4S)-4-(4-benzyloxyphenyl)-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)	6.67	15.83	-14.31	1	5	0	58	503.577	7	↓ MOL2 SDF SMILES Flexibase

40341789

Analogs

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Popular Name: (4R)-4-(4-benzyloxyphenyl)-5-[(2-chlorophenyl)methyl]-3-(p-tolyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6 (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)	7.14	16.36	-10.31	1	5	0	58	520.032	7	↓ MOL2 SDF SMILES Flexibase

40341790

Analogs

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Popular Name: (4S)-4-(4-benzyloxyphenyl)-5-[(2-chlorophenyl)methyl]-3-(p-tolyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6 (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)	7.14	16.85	-14.25	1	5	0	58	520.032	7	↓ MOL2 SDF SMILES Flexibase

40341791

Analogs

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Popular Name: (4R)-4-(4-benzyloxyphenyl)-5-[(4-chlorophenyl)methyl]-3-(p-tolyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6 (4R)-4-(4-benzyloxyphenyl)-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)	7.19	16.77	-12.52	1	5	0	58	520.032	7	↓ MOL2 SDF SMILES Flexibase

40341792

Analogs

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Popular Name: (4S)-4-(4-benzyloxyphenyl)-5-[(4-chlorophenyl)methyl]-3-(p-tolyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6 (4S)-4-(4-benzyloxyphenyl)-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)	7.19	16.28	-13.5	1	5	0	58	520.032	7	↓ MOL2 SDF SMILES Flexibase

40341793

Analogs

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Popular Name: (4R)-5-benzyl-4-(4-benzyloxyphenyl)-3-(p-tolyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4R)-5-benzyl-4-(4-benzyloxyphen…

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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)	6.51	16.25	-12.39	1	5	0	58	485.587	7	↓ MOL2 SDF SMILES Flexibase

40341794

Analogs

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Popular Name: (4S)-5-benzyl-4-(4-benzyloxyphenyl)-3-(p-tolyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4S)-5-benzyl-4-(4-benzyloxyphen…

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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)	6.51	15.76	-12.86	1	5	0	58	485.587	7	↓ MOL2 SDF SMILES Flexibase

40341825

Analogs

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Popular Name: (4R)-4-(4-benzyloxy-3-methoxy-phenyl)-3-(p-tolyl)-5-(p-tolylmethyl)-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)	6.55	16.73	-12.54	1	6	0	67	529.64	8	↓ MOL2 SDF SMILES Flexibase

40341826

Analogs

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Popular Name: (4S)-4-(4-benzyloxy-3-methoxy-phenyl)-3-(p-tolyl)-5-(p-tolylmethyl)-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)	6.55	16.32	-13.61	1	6	0	67	529.64	8	↓ MOL2 SDF SMILES Flexibase

40341829

Analogs

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Popular Name: (4R)-5-benzyl-4-(4-benzyloxy-3-methoxy-phenyl)-3-(p-tolyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4R)-5-benzyl-4-(4-benzyloxy-3-m…

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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	16.02	-12.53	1	6	0	67	515.613	8	↓ MOL2 SDF SMILES Flexibase

40341830

Analogs

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Popular Name: (4S)-5-benzyl-4-(4-benzyloxy-3-methoxy-phenyl)-3-(p-tolyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4S)-5-benzyl-4-(4-benzyloxy-3-m…

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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	15.64	-13.56	1	6	0	67	515.613	8	↓ MOL2 SDF SMILES Flexibase

40341861

Analogs

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

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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)	7.14	16.83	-11.12	1	5	0	58	520.032	7	↓ MOL2 SDF SMILES Flexibase

40341862

Analogs

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

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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)	7.14	16.33	-11.53	1	5	0	58	520.032	7	↓ MOL2 SDF SMILES Flexibase

40341893

Analogs

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Popular Name: (4R)-5-benzyl-4-[4-[(4-chlorophenyl)methoxy]phenyl]-3-(p-tolyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-o (4R)-5-benzyl-4-[4-[(4-chlorophe…

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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)	7.19	16.77	-13.03	1	5	0	58	520.032	7	↓ MOL2 SDF SMILES Flexibase

40341894

Analogs

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Popular Name: (4S)-5-benzyl-4-[4-[(4-chlorophenyl)methoxy]phenyl]-3-(p-tolyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-o (4S)-5-benzyl-4-[4-[(4-chlorophe…

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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)	7.19	16.28	-13.3	1	5	0	58	520.032	7	↓ MOL2 SDF SMILES Flexibase

40343805

Analogs

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Popular Name: (4R)-4-(4-benzyloxyphenyl)-3-(4-chlorophenyl)-5-(p-tolylmethyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-o (4R)-4-(4-benzyloxyphenyl)-3-(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)	7.19	16.75	-11.66	1	5	0	58	520.032	7	↓ MOL2 SDF SMILES Flexibase

40343806

Analogs

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Popular Name: (4S)-4-(4-benzyloxyphenyl)-3-(4-chlorophenyl)-5-(p-tolylmethyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-o (4S)-4-(4-benzyloxyphenyl)-3-(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)	7.19	16.26	-12.61	1	5	0	58	520.032	7	↓ MOL2 SDF SMILES Flexibase

40343811

Analogs

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Popular Name: (4R)-5-benzyl-4-(4-benzyloxyphenyl)-3-(4-chlorophenyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4R)-5-benzyl-4-(4-benzyloxyphen…

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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)	6.74	16.06	-11.66	1	5	0	58	506.005	7	↓ MOL2 SDF SMILES Flexibase

40343812

Analogs

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Popular Name: (4S)-5-benzyl-4-(4-benzyloxyphenyl)-3-(4-chlorophenyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4S)-5-benzyl-4-(4-benzyloxyphen…

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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)	6.74	15.59	-12.59	1	5	0	58	506.005	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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