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ZINC Item

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40339635

Analogs

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Popular Name: (4S)-3-phenyl-5-(p-tolylmethyl)-4-(2-thienyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4S)-3-phenyl-5-(p-tolylmethyl)-…

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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)	4.76	11.67	-10.23	1	4	0	49	385.492	4	↓ MOL2 SDF SMILES Flexibase

40339636

Analogs

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Popular Name: (4R)-3-phenyl-5-(p-tolylmethyl)-4-(2-thienyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4R)-3-phenyl-5-(p-tolylmethyl)-…

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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)	4.76	11.34	-10.61	1	4	0	49	385.492	4	↓ MOL2 SDF SMILES Flexibase

40339639

Analogs

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Popular Name: (4S)-5-[(4-methoxyphenyl)methyl]-3-phenyl-4-(2-thienyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4S)-5-[(4-methoxyphenyl)methyl]…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.37	10.29	-11.82	1	5	0	58	401.491	5	↓ MOL2 SDF SMILES Flexibase

40339640

Analogs

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Popular Name: (4R)-5-[(4-methoxyphenyl)methyl]-3-phenyl-4-(2-thienyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4R)-5-[(4-methoxyphenyl)methyl]…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.37	9.97	-12.45	1	5	0	58	401.491	5	↓ MOL2 SDF SMILES Flexibase

40339647

Analogs

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Popular Name: (4S)-5-[(4-fluorophenyl)methyl]-3-phenyl-4-(2-thienyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4S)-5-[(4-fluorophenyl)methyl]-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.47	11.08	-10.63	1	4	0	49	389.455	4	↓ MOL2 SDF SMILES Flexibase

40339648

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-5-[(4-fluorophenyl)methyl]-3-phenyl-4-(2-thienyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4R)-5-[(4-fluorophenyl)methyl]-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.47	10.74	-11.43	1	4	0	49	389.455	4	↓ MOL2 SDF SMILES Flexibase

40339649

Analogs

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.94	11.15	-8.64	1	4	0	49	405.91	4	↓ MOL2 SDF SMILES Flexibase

40339650

Analogs

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.94	11.65	-11.6	1	4	0	49	405.91	4	↓ MOL2 SDF SMILES Flexibase

40339651

Analogs

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.99	11.53	-10.03	1	4	0	49	405.91	4	↓ MOL2 SDF SMILES Flexibase

40339652

Analogs

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.99	11.19	-10.68	1	4	0	49	405.91	4	↓ MOL2 SDF SMILES Flexibase

40339653

Analogs

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

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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)	4.31	10.99	-10.16	1	4	0	49	371.465	4	↓ MOL2 SDF SMILES Flexibase

40339654

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	4.31	10.67	-10.57	1	4	0	49	371.465	4	↓ MOL2 SDF SMILES Flexibase

40343753

Analogs

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Popular Name: (4S)-3-(4-chlorophenyl)-5-(p-tolylmethyl)-4-(2-thienyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4S)-3-(4-chlorophenyl)-5-(p-tol…

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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)	5.43	12.19	-9.26	1	4	0	49	419.937	4	↓ MOL2 SDF SMILES Flexibase

40343754

Analogs

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Popular Name: (4R)-3-(4-chlorophenyl)-5-(p-tolylmethyl)-4-(2-thienyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4R)-3-(4-chlorophenyl)-5-(p-tol…

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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)	5.43	11.86	-10.02	1	4	0	49	419.937	4	↓ MOL2 SDF SMILES Flexibase

40343757

Analogs

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Popular Name: (4S)-3-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-4-(2-thienyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6 (4S)-3-(4-chlorophenyl)-5-[(4-me…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.04	10.81	-10.88	1	5	0	58	435.936	5	↓ MOL2 SDF SMILES Flexibase

40343758

Analogs

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Popular Name: (4R)-3-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-4-(2-thienyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6 (4R)-3-(4-chlorophenyl)-5-[(4-me…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.04	10.49	-11.96	1	5	0	58	435.936	5	↓ MOL2 SDF SMILES Flexibase

40343765

Analogs

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Popular Name: (4S)-3-(4-chlorophenyl)-5-[(4-fluorophenyl)methyl]-4-(2-thienyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6- (4S)-3-(4-chlorophenyl)-5-[(4-fl…

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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)	5.15	10.95	-9.98	1	4	0	49	423.9	4	↓ MOL2 SDF SMILES Flexibase

40343766

Analogs

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Popular Name: (4R)-3-(4-chlorophenyl)-5-[(4-fluorophenyl)methyl]-4-(2-thienyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6- (4R)-3-(4-chlorophenyl)-5-[(4-fl…

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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)	5.15	11.9	-10.71	1	4	0	49	423.9	4	↓ MOL2 SDF SMILES Flexibase

40343767

Analogs

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Popular Name: (4S)-3-(4-chlorophenyl)-5-[(2-chlorophenyl)methyl]-4-(2-thienyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6- (4S)-3-(4-chlorophenyl)-5-[(2-ch…

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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)	5.62	11.65	-7.5	1	4	0	49	440.355	4	↓ MOL2 SDF SMILES Flexibase

40343768

Analogs

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Popular Name: (4R)-3-(4-chlorophenyl)-5-[(2-chlorophenyl)methyl]-4-(2-thienyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6- (4R)-3-(4-chlorophenyl)-5-[(2-ch…

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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)	5.62	12.16	-11.08	1	4	0	49	440.355	4	↓ MOL2 SDF SMILES Flexibase

40343769

Analogs

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Popular Name: (4S)-3-(4-chlorophenyl)-5-[(4-chlorophenyl)methyl]-4-(2-thienyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6- (4S)-3-(4-chlorophenyl)-5-[(4-ch…

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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)	5.66	11.4	-9.32	1	4	0	49	440.355	4	↓ MOL2 SDF SMILES Flexibase

40343770

Analogs

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Popular Name: (4R)-3-(4-chlorophenyl)-5-[(4-chlorophenyl)methyl]-4-(2-thienyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6- (4R)-3-(4-chlorophenyl)-5-[(4-ch…

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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)	5.66	12.36	-10.06	1	4	0	49	440.355	4	↓ MOL2 SDF SMILES Flexibase

40343771

Analogs

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

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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)	4.99	11.51	-9.24	1	4	0	49	405.91	4	↓ MOL2 SDF SMILES Flexibase

40343772

Analogs

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

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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)	4.99	11.19	-10.03	1	4	0	49	405.91	4	↓ MOL2 SDF SMILES Flexibase

40345749

Analogs

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Popular Name: (4S)-3-(4-methoxyphenyl)-5-(p-tolylmethyl)-4-(2-thienyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4S)-3-(4-methoxyphenyl)-5-(p-to…

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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)	4.81	10.96	-10.43	1	5	0	58	415.518	5	↓ MOL2 SDF SMILES Flexibase

40345750

Analogs

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Popular Name: (4R)-3-(4-methoxyphenyl)-5-(p-tolylmethyl)-4-(2-thienyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4R)-3-(4-methoxyphenyl)-5-(p-to…

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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)	4.81	10.64	-11.08	1	5	0	58	415.518	5	↓ MOL2 SDF SMILES Flexibase

40345753

Analogs

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Popular Name: (4S)-3-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-4-(2-thienyl)-1,4-dihydropyrrolo[3,4-c]pyrazol- (4S)-3-(4-methoxyphenyl)-5-[(4-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)	4.42	9.58	-12.05	1	6	0	67	431.517	6	↓ MOL2 SDF SMILES Flexibase

40345754

Analogs

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Popular Name: (4R)-3-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-4-(2-thienyl)-1,4-dihydropyrrolo[3,4-c]pyrazol- (4R)-3-(4-methoxyphenyl)-5-[(4-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)	4.42	9.27	-12.91	1	6	0	67	431.517	6	↓ MOL2 SDF SMILES Flexibase

40345761

Analogs

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.53	10.38	-10.94	1	5	0	58	419.481	5	↓ MOL2 SDF SMILES Flexibase

40345762

Analogs

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.53	10.04	-11.88	1	5	0	58	419.481	5	↓ MOL2 SDF SMILES Flexibase

40345763

Analogs

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.99	10.45	-8.94	1	5	0	58	435.936	5	↓ MOL2 SDF SMILES Flexibase

40345764

Analogs

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

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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)	4.99	10.94	-11.89	1	5	0	58	435.936	5	↓ MOL2 SDF SMILES Flexibase

40345765

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

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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	10.83	-10.35	1	5	0	58	435.936	5	↓ MOL2 SDF SMILES Flexibase

40345766

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.04	10.49	-11.11	1	5	0	58	435.936	5	↓ MOL2 SDF SMILES Flexibase

40345767

Analogs

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

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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	10.31	-10.41	1	5	0	58	401.491	5	↓ MOL2 SDF SMILES Flexibase

40345768

Analogs

Draw Identity 99% 90% 80% 70%

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

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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	9.97	-10.89	1	5	0	58	401.491	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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Structural Results Found: (before additional filtering)

SQL Query Was

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