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ZINC Item

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35635984

Analogs

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Popular Name: (4R)-6-[(1S)-1-benzyl-2-oxo-2-pyrrolidin-1-yl-ethyl]-4-(2-chlorophenyl)-1-methyl-4,7-dihydro-3H-pyrr (4R)-6-[(1S)-1-benzyl-2-oxo-2-py…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.94	12.9	-21.6	1	7	0	73	478.98	5	↓ MOL2 SDF SMILES Flexibase

35635986

Analogs

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Popular Name: (4S)-6-[(1S)-1-benzyl-2-oxo-2-pyrrolidin-1-yl-ethyl]-4-(2-chlorophenyl)-1-methyl-4,7-dihydro-3H-pyrr (4S)-6-[(1S)-1-benzyl-2-oxo-2-py…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.94	12.26	-24.34	1	7	0	73	478.98	5	↓ MOL2 SDF SMILES Flexibase

35635988

Analogs

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Popular Name: (4R)-6-[(1R)-1-benzyl-2-oxo-2-pyrrolidin-1-yl-ethyl]-4-(2-chlorophenyl)-1-methyl-4,7-dihydro-3H-pyrr (4R)-6-[(1R)-1-benzyl-2-oxo-2-py…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.94	12.96	-21.98	1	7	0	73	478.98	5	↓ MOL2 SDF SMILES Flexibase

35635989

Analogs

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Popular Name: (4S)-6-[(1R)-1-benzyl-2-oxo-2-pyrrolidin-1-yl-ethyl]-4-(2-chlorophenyl)-1-methyl-4,7-dihydro-3H-pyrr (4S)-6-[(1R)-1-benzyl-2-oxo-2-py…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.94	12.54	-23.27	1	7	0	73	478.98	5	↓ MOL2 SDF SMILES Flexibase

35636032

Analogs

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Popular Name: (4S)-6-[(1S)-1-benzyl-2-oxo-2-pyrrolidin-1-yl-ethyl]-4-(4-chlorophenyl)-1-ethyl-4,7-dihydro-3H-pyrro (4S)-6-[(1S)-1-benzyl-2-oxo-2-py…

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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	13.87	-22.08	1	7	0	73	493.007	6	↓ MOL2 SDF SMILES Flexibase

35636034

Analogs

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Popular Name: (4R)-6-[(1S)-1-benzyl-2-oxo-2-pyrrolidin-1-yl-ethyl]-4-(4-chlorophenyl)-1-ethyl-4,7-dihydro-3H-pyrro (4R)-6-[(1S)-1-benzyl-2-oxo-2-py…

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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	13.89	-21.85	1	7	0	73	493.007	6	↓ MOL2 SDF SMILES Flexibase

35636035

Analogs

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Popular Name: (4S)-6-[(1R)-1-benzyl-2-oxo-2-pyrrolidin-1-yl-ethyl]-4-(4-chlorophenyl)-1-ethyl-4,7-dihydro-3H-pyrro (4S)-6-[(1R)-1-benzyl-2-oxo-2-py…

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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	13.94	-21.97	1	7	0	73	493.007	6	↓ MOL2 SDF SMILES Flexibase

35636037

Analogs

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Popular Name: (4R)-6-[(1R)-1-benzyl-2-oxo-2-pyrrolidin-1-yl-ethyl]-4-(4-chlorophenyl)-1-ethyl-4,7-dihydro-3H-pyrro (4R)-6-[(1R)-1-benzyl-2-oxo-2-py…

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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	13.95	-22.12	1	7	0	73	493.007	6	↓ MOL2 SDF SMILES Flexibase

35636094

Analogs

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Popular Name: (4S)-6-[(1S)-1-benzyl-2-oxo-2-pyrrolidin-1-yl-ethyl]-1-ethyl-4-(m-tolyl)-4,7-dihydro-3H-pyrrolo[3,4- (4S)-6-[(1S)-1-benzyl-2-oxo-2-py…

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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)	4.11	14.03	-23.3	1	7	0	73	472.589	6	↓ MOL2 SDF SMILES Flexibase

35636096

Analogs

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Popular Name: (4R)-6-[(1S)-1-benzyl-2-oxo-2-pyrrolidin-1-yl-ethyl]-1-ethyl-4-(m-tolyl)-4,7-dihydro-3H-pyrrolo[3,4- (4R)-6-[(1S)-1-benzyl-2-oxo-2-py…

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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)	4.11	14.05	-23.29	1	7	0	73	472.589	6	↓ MOL2 SDF SMILES Flexibase

35636098

Analogs

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Popular Name: (4S)-6-[(1R)-1-benzyl-2-oxo-2-pyrrolidin-1-yl-ethyl]-1-ethyl-4-(m-tolyl)-4,7-dihydro-3H-pyrrolo[3,4- (4S)-6-[(1R)-1-benzyl-2-oxo-2-py…

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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)	4.11	14.1	-23.33	1	7	0	73	472.589	6	↓ MOL2 SDF SMILES Flexibase

35636100

Analogs

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Popular Name: (4R)-6-[(1R)-1-benzyl-2-oxo-2-pyrrolidin-1-yl-ethyl]-1-ethyl-4-(m-tolyl)-4,7-dihydro-3H-pyrrolo[3,4- (4R)-6-[(1R)-1-benzyl-2-oxo-2-py…

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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)	4.11	14.11	-23.24	1	7	0	73	472.589	6	↓ MOL2 SDF SMILES Flexibase

35636370

Analogs

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Popular Name: (4S)-6-[(1S)-1-benzyl-2-oxo-2-pyrrolidin-1-yl-ethyl]-1-ethyl-4-(p-tolyl)-4,7-dihydro-3H-pyrrolo[3,4- (4S)-6-[(1S)-1-benzyl-2-oxo-2-py…

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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)	4.14	14.04	-23.25	1	7	0	73	472.589	6	↓ MOL2 SDF SMILES Flexibase

35636372

Analogs

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Popular Name: (4R)-6-[(1S)-1-benzyl-2-oxo-2-pyrrolidin-1-yl-ethyl]-1-ethyl-4-(p-tolyl)-4,7-dihydro-3H-pyrrolo[3,4- (4R)-6-[(1S)-1-benzyl-2-oxo-2-py…

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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)	4.14	14.05	-23.32	1	7	0	73	472.589	6	↓ MOL2 SDF SMILES Flexibase

35636374

Analogs

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Popular Name: (4S)-6-[(1R)-1-benzyl-2-oxo-2-pyrrolidin-1-yl-ethyl]-1-ethyl-4-(p-tolyl)-4,7-dihydro-3H-pyrrolo[3,4- (4S)-6-[(1R)-1-benzyl-2-oxo-2-py…

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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)	4.14	14.1	-23.27	1	7	0	73	472.589	6	↓ MOL2 SDF SMILES Flexibase

35636376

Analogs

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Popular Name: (4R)-6-[(1R)-1-benzyl-2-oxo-2-pyrrolidin-1-yl-ethyl]-1-ethyl-4-(p-tolyl)-4,7-dihydro-3H-pyrrolo[3,4- (4R)-6-[(1R)-1-benzyl-2-oxo-2-py…

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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)	4.14	14.11	-23.25	1	7	0	73	472.589	6	↓ MOL2 SDF SMILES Flexibase

35636430

Analogs

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Popular Name: (4S)-6-[(1S)-1-benzyl-2-oxo-2-pyrrolidin-1-yl-ethyl]-4-(4-chlorophenyl)-1-methyl-4,7-dihydro-3H-pyrr (4S)-6-[(1S)-1-benzyl-2-oxo-2-py…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.99	12.99	-22.09	1	7	0	73	478.98	5	↓ MOL2 SDF SMILES Flexibase

35636432

Analogs

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Popular Name: (4R)-6-[(1S)-1-benzyl-2-oxo-2-pyrrolidin-1-yl-ethyl]-4-(4-chlorophenyl)-1-methyl-4,7-dihydro-3H-pyrr (4R)-6-[(1S)-1-benzyl-2-oxo-2-py…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.99	13	-21.89	1	7	0	73	478.98	5	↓ MOL2 SDF SMILES Flexibase

35636434

Analogs

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Popular Name: (4S)-6-[(1R)-1-benzyl-2-oxo-2-pyrrolidin-1-yl-ethyl]-4-(4-chlorophenyl)-1-methyl-4,7-dihydro-3H-pyrr (4S)-6-[(1R)-1-benzyl-2-oxo-2-py…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.99	13.05	-21.87	1	7	0	73	478.98	5	↓ MOL2 SDF SMILES Flexibase

35636436

Analogs

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Popular Name: (4R)-6-[(1R)-1-benzyl-2-oxo-2-pyrrolidin-1-yl-ethyl]-4-(4-chlorophenyl)-1-methyl-4,7-dihydro-3H-pyrr (4R)-6-[(1R)-1-benzyl-2-oxo-2-py…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.99	13.06	-22.12	1	7	0	73	478.98	5	↓ MOL2 SDF SMILES Flexibase

35636471

Analogs

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Popular Name: (4S)-6-[(1S)-1-benzyl-2-oxo-2-pyrrolidin-1-yl-ethyl]-4-(3-fluorophenyl)-1-methyl-4,7-dihydro-3H-pyrr (4S)-6-[(1S)-1-benzyl-2-oxo-2-py…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.45	12.54	-24.15	1	7	0	73	462.525	5	↓ MOL2 SDF SMILES Flexibase

35636473

Analogs

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Popular Name: (4R)-6-[(1S)-1-benzyl-2-oxo-2-pyrrolidin-1-yl-ethyl]-4-(3-fluorophenyl)-1-methyl-4,7-dihydro-3H-pyrr (4R)-6-[(1S)-1-benzyl-2-oxo-2-py…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.45	12.55	-24.35	1	7	0	73	462.525	5	↓ MOL2 SDF SMILES Flexibase

35636475

Analogs

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Popular Name: (4S)-6-[(1R)-1-benzyl-2-oxo-2-pyrrolidin-1-yl-ethyl]-4-(3-fluorophenyl)-1-methyl-4,7-dihydro-3H-pyrr (4S)-6-[(1R)-1-benzyl-2-oxo-2-py…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.45	12.59	-24.41	1	7	0	73	462.525	5	↓ MOL2 SDF SMILES Flexibase

35636477

Analogs

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Popular Name: (4R)-6-[(1R)-1-benzyl-2-oxo-2-pyrrolidin-1-yl-ethyl]-4-(3-fluorophenyl)-1-methyl-4,7-dihydro-3H-pyrr (4R)-6-[(1R)-1-benzyl-2-oxo-2-py…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.45	12.6	-24.18	1	7	0	73	462.525	5	↓ MOL2 SDF SMILES Flexibase

35636712

Analogs

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Popular Name: (4S)-1-allyl-6-[(1S)-1-benzyl-2-oxo-2-pyrrolidin-1-yl-ethyl]-4-(4-fluorophenyl)-4,7-dihydro-3H-pyrro (4S)-1-allyl-6-[(1S)-1-benzyl-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)	4.12	13.98	-22.67	1	7	0	73	488.563	7	↓ MOL2 SDF SMILES Flexibase

35636714

Analogs

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Popular Name: (4R)-1-allyl-6-[(1S)-1-benzyl-2-oxo-2-pyrrolidin-1-yl-ethyl]-4-(4-fluorophenyl)-4,7-dihydro-3H-pyrro (4R)-1-allyl-6-[(1S)-1-benzyl-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)	4.12	13.98	-22.39	1	7	0	73	488.563	7	↓ MOL2 SDF SMILES Flexibase

35636715

Analogs

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Popular Name: (4S)-1-allyl-6-[(1R)-1-benzyl-2-oxo-2-pyrrolidin-1-yl-ethyl]-4-(4-fluorophenyl)-4,7-dihydro-3H-pyrro (4S)-1-allyl-6-[(1R)-1-benzyl-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)	4.12	14.04	-22.59	1	7	0	73	488.563	7	↓ MOL2 SDF SMILES Flexibase

35636716

Analogs

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Popular Name: (4R)-1-allyl-6-[(1R)-1-benzyl-2-oxo-2-pyrrolidin-1-yl-ethyl]-4-(4-fluorophenyl)-4,7-dihydro-3H-pyrro (4R)-1-allyl-6-[(1R)-1-benzyl-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)	4.12	14.05	-22.75	1	7	0	73	488.563	7	↓ MOL2 SDF SMILES Flexibase

35636754

Analogs

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Popular Name: (4R)-6-[(1S)-1-benzyl-2-oxo-2-pyrrolidin-1-yl-ethyl]-4-(2,4-dimethylphenyl)-1-methyl-4,7-dihydro-3H- (4R)-6-[(1S)-1-benzyl-2-oxo-2-py…

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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)	4.14	13.21	-24.64	1	7	0	73	472.589	5	↓ MOL2 SDF SMILES Flexibase

35636755

Analogs

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Popular Name: (4S)-6-[(1S)-1-benzyl-2-oxo-2-pyrrolidin-1-yl-ethyl]-4-(2,4-dimethylphenyl)-1-methyl-4,7-dihydro-3H- (4S)-6-[(1S)-1-benzyl-2-oxo-2-py…

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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)	4.14	13.25	-24.65	1	7	0	73	472.589	5	↓ MOL2 SDF SMILES Flexibase

35636756

Analogs

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Popular Name: (4R)-6-[(1R)-1-benzyl-2-oxo-2-pyrrolidin-1-yl-ethyl]-4-(2,4-dimethylphenyl)-1-methyl-4,7-dihydro-3H- (4R)-6-[(1R)-1-benzyl-2-oxo-2-py…

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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)	4.14	13.3	-24.57	1	7	0	73	472.589	5	↓ MOL2 SDF SMILES Flexibase

35636758

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-6-[(1R)-1-benzyl-2-oxo-2-pyrrolidin-1-yl-ethyl]-4-(2,4-dimethylphenyl)-1-methyl-4,7-dihydro-3H- (4S)-6-[(1R)-1-benzyl-2-oxo-2-py…

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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)	4.14	13.05	-24.53	1	7	0	73	472.589	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 20274
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 = 20274 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=20274&filter.purchasability=annotated

Embed Link to Results

<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": "20274"        

    });
</script>

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