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ZINC Item

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22361565

Analogs

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Popular Name: 2-[(4-chlorophenyl)sulfonyl-phenyl-amino]-N-[(1R)-1-(4-pyrrolidin-1-ylphenyl)ethyl]acetamide 2-[(4-chlorophenyl)sulfonyl-phen…

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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)	5.70	10.25	-19.66	1	6	0	70	498.048	8	↓ MOL2 SDF SMILES Flexibase

22361567

Analogs

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Popular Name: 2-[(4-chlorophenyl)sulfonyl-phenyl-amino]-N-[(1S)-1-(4-pyrrolidin-1-ylphenyl)ethyl]acetamide 2-[(4-chlorophenyl)sulfonyl-phen…

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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)	5.70	10.24	-20.03	1	6	0	70	498.048	8	↓ MOL2 SDF SMILES Flexibase

22362293

Analogs

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Popular Name: 2-[benzenesulfonyl-(2,3-dimethylphenyl)amino]-N-[(1R)-1-(4-pyrrolidin-1-ylphenyl)ethyl]acetamide 2-[benzenesulfonyl-(2,3-dimethyl…

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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)	5.82	11.31	-13.53	1	6	0	70	491.657	8	↓ MOL2 SDF SMILES Flexibase

22362295

Analogs

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Popular Name: 2-[benzenesulfonyl-(2,3-dimethylphenyl)amino]-N-[(1S)-1-(4-pyrrolidin-1-ylphenyl)ethyl]acetamide 2-[benzenesulfonyl-(2,3-dimethyl…

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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)	5.82	11.3	-13.67	1	6	0	70	491.657	8	↓ MOL2 SDF SMILES Flexibase

22362499

Analogs

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Popular Name: 2-[(2-methoxyphenyl)-(p-tolylsulfonyl)amino]-N-[(1S)-1-(4-pyrrolidin-1-ylphenyl)ethyl]acetamide 2-[(2-methoxyphenyl)-(p-tolylsul…

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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)	5.48	11.03	-20.65	1	7	0	79	507.656	9	↓ MOL2 SDF SMILES Flexibase

22362501

Analogs

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Popular Name: 2-[(2-methoxyphenyl)-(p-tolylsulfonyl)amino]-N-[(1R)-1-(4-pyrrolidin-1-ylphenyl)ethyl]acetamide 2-[(2-methoxyphenyl)-(p-tolylsul…

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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)	5.48	11.04	-21.01	1	7	0	79	507.656	9	↓ MOL2 SDF SMILES Flexibase

22362901

Analogs

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Popular Name: 2-[(2-methoxyphenyl)-(4-methoxyphenyl)sulfonyl-amino]-N-[(1S)-1-(4-pyrrolidin-1-ylphenyl)ethyl]aceta 2-[(2-methoxyphenyl)-(4-methoxyp…

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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)	5.08	9.67	-20.8	1	8	0	88	523.655	10	↓ MOL2 SDF SMILES Flexibase

22362904

Analogs

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Popular Name: 2-[(2-methoxyphenyl)-(4-methoxyphenyl)sulfonyl-amino]-N-[(1R)-1-(4-pyrrolidin-1-ylphenyl)ethyl]aceta 2-[(2-methoxyphenyl)-(4-methoxyp…

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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)	5.08	9.69	-21.04	1	8	0	88	523.655	10	↓ MOL2 SDF SMILES Flexibase

22363097

Analogs

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Popular Name: 2-[(4-chlorophenyl)sulfonyl-(3,4-dimethylphenyl)amino]-N-[(1R)-1-(4-pyrrolidin-1-ylphenyl)ethyl]acet 2-[(4-chlorophenyl)sulfonyl-(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)	6.52	11.24	-18.34	1	6	0	70	526.102	8	↓ MOL2 SDF SMILES Flexibase

22363103

Analogs

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Popular Name: 2-[(4-chlorophenyl)sulfonyl-(3,4-dimethylphenyl)amino]-N-[(1S)-1-(4-pyrrolidin-1-ylphenyl)ethyl]acet 2-[(4-chlorophenyl)sulfonyl-(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)	6.52	11.57	-19.64	1	6	0	70	526.102	8	↓ MOL2 SDF SMILES Flexibase

22363676

Analogs

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Popular Name: 2-[(3-chlorophenyl)-(4-methoxyphenyl)sulfonyl-amino]-N-[(1S)-1-(4-pyrrolidin-1-ylphenyl)ethyl]acetam 2-[(3-chlorophenyl)-(4-methoxyph…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.73	9.21	-19.17	1	7	0	79	528.074	9	↓ MOL2 SDF SMILES Flexibase

22363681

Analogs

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Popular Name: 2-[(3-chlorophenyl)-(4-methoxyphenyl)sulfonyl-amino]-N-[(1R)-1-(4-pyrrolidin-1-ylphenyl)ethyl]acetam 2-[(3-chlorophenyl)-(4-methoxyph…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.73	9.21	-18.91	1	7	0	79	528.074	9	↓ MOL2 SDF SMILES Flexibase

22364338

Analogs

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Popular Name: 2-[(3,4-dimethoxyphenyl)sulfonyl-phenyl-amino]-N-[(1S)-1-(4-pyrrolidin-1-ylphenyl)ethyl]acetamide 2-[(3,4-dimethoxyphenyl)sulfonyl…

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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)	4.67	8.62	-21.82	1	8	0	88	523.655	10	↓ MOL2 SDF SMILES Flexibase

22364342

Analogs

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Popular Name: 2-[(3,4-dimethoxyphenyl)sulfonyl-phenyl-amino]-N-[(1R)-1-(4-pyrrolidin-1-ylphenyl)ethyl]acetamide 2-[(3,4-dimethoxyphenyl)sulfonyl…

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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)	4.67	8.98	-23.25	1	8	0	88	523.655	10	↓ MOL2 SDF SMILES Flexibase

13669594

Analogs

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Popular Name: 2-[(5-chloro-2-methoxy-phenyl)-(p-tolylsulfonyl)amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide 2-[(5-chloro-2-methoxy-phenyl)-(…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.57	10.68	-11.96	1	7	0	79	528.074	9	↓ MOL2 SDF SMILES Flexibase

13669660

Analogs

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Popular Name: 2-[(3,4-dimethylphenyl)-(p-tolylsulfonyl)amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide 2-[(3,4-dimethylphenyl)-(p-tolyl…

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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)	5.73	10.36	-17.64	1	6	0	70	491.657	8	↓ MOL2 SDF SMILES Flexibase

13670020

Analogs

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Popular Name: 2-[(3-chlorophenyl)-(4-chlorophenyl)sulfonyl-amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide 2-[(3-chlorophenyl)-(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)	5.79	9.51	-16.25	1	6	0	70	518.466	8	↓ MOL2 SDF SMILES Flexibase

13670227

Analogs

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Popular Name: 2-(m-tolyl-(p-tolylsulfonyl)amino)-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide 2-(m-tolyl-(p-tolylsulfonyl)amin…

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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)	5.33	10.23	-18.11	1	6	0	70	477.63	8	↓ MOL2 SDF SMILES Flexibase

13670752

Analogs

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Popular Name: 2-[benzenesulfonyl-(2,3-dichlorophenyl)amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide 2-[benzenesulfonyl-(2,3-dichloro…

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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)	5.72	9.95	-12.67	1	6	0	70	518.466	8	↓ MOL2 SDF SMILES Flexibase

13670766

Analogs

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Popular Name: 2-[(2,4-dimethylphenyl)-(p-tolylsulfonyl)amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide 2-[(2,4-dimethylphenyl)-(p-tolyl…

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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)	5.73	10.7	-17.89	1	6	0	70	491.657	8	↓ MOL2 SDF SMILES Flexibase

13670770

Analogs

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Popular Name: 2-(benzenesulfonyl-(o-tolyl)amino)-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide 2-(benzenesulfonyl-(o-tolyl)amin…

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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)	4.86	9.36	-18.29	1	6	0	70	463.603	8	↓ MOL2 SDF SMILES Flexibase

13670772

Analogs

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Popular Name: 2-[(4-chlorophenyl)sulfonyl-(2-ethoxyphenyl)amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide 2-[(4-chlorophenyl)sulfonyl-(2-e…

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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)	5.52	10.67	-10.56	1	7	0	79	528.074	10	↓ MOL2 SDF SMILES Flexibase

13670975

Analogs

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Popular Name: 2-[benzenesulfonyl-(2-ethylphenyl)amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide 2-[benzenesulfonyl-(2-ethylpheny…

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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)	5.33	9.92	-17.7	1	6	0	70	477.63	9	↓ MOL2 SDF SMILES Flexibase

13672548

Analogs

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Popular Name: 2-[benzenesulfonyl-(2-methoxyphenyl)amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide 2-[benzenesulfonyl-(2-methoxyphe…

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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	8.23	-18.13	1	7	0	79	479.602	9	↓ MOL2 SDF SMILES Flexibase

13673140

Analogs

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Popular Name: 2-[(3-chlorophenyl)-(p-tolylsulfonyl)amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide 2-[(3-chlorophenyl)-(p-tolylsulf…

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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)	5.56	9.67	-17.47	1	6	0	70	498.048	8	↓ MOL2 SDF SMILES Flexibase

13673974

Analogs

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Popular Name: 2-[(4-chlorophenyl)sulfonyl-(p-tolyl)amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide 2-[(4-chlorophenyl)sulfonyl-(p-t…

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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)	5.59	9.77	-11.87	1	6	0	70	498.048	8	↓ MOL2 SDF SMILES Flexibase

13674833

Analogs

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Popular Name: 2-[benzenesulfonyl-(4-fluorophenyl)amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide 2-[benzenesulfonyl-(4-fluorophen…

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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)	4.62	8.61	-16.77	1	6	0	70	467.566	8	↓ MOL2 SDF SMILES Flexibase

13675036

Analogs

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Popular Name: 2-[benzenesulfonyl-(2-fluorophenyl)amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide 2-[benzenesulfonyl-(2-fluorophen…

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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)	4.58	8.9	-22.29	1	6	0	70	467.566	8	↓ MOL2 SDF SMILES Flexibase

13675254

Analogs

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Popular Name: 2-[(4-fluorophenyl)sulfonyl-phenyl-amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide 2-[(4-fluorophenyl)sulfonyl-phen…

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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)	4.62	8.93	-17.56	1	6	0	70	467.566	8	↓ MOL2 SDF SMILES Flexibase

13675295

Analogs

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Popular Name: 2-[(3-chloro-4-methoxy-phenyl)-(p-tolylsulfonyl)amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide 2-[(3-chloro-4-methoxy-phenyl)-(…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.57	9	-18.13	1	7	0	79	528.074	9	↓ MOL2 SDF SMILES Flexibase

13675787

Analogs

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Popular Name: 2-(benzenesulfonyl-phenyl-amino)-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide 2-(benzenesulfonyl-phenyl-amino)…

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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)	4.46	8.48	-17.62	1	6	0	70	449.576	8	↓ MOL2 SDF SMILES Flexibase

13676423

Analogs

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Popular Name: 2-[benzenesulfonyl-(5-chloro-2-methoxy-phenyl)amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide 2-[benzenesulfonyl-(5-chloro-2-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)	5.12	8.76	-19	1	7	0	79	514.047	9	↓ MOL2 SDF SMILES Flexibase

13676431

Analogs

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Popular Name: 2-[benzenesulfonyl-(2,4-dimethylphenyl)amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide 2-[benzenesulfonyl-(2,4-dimethyl…

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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	10.03	-18.34	1	6	0	70	477.63	8	↓ MOL2 SDF SMILES Flexibase

13676684

Analogs

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Popular Name: 2-[(2-fluorophenyl)-(p-tolylsulfonyl)amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide 2-[(2-fluorophenyl)-(p-tolylsulf…

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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)	5.02	9.45	-16.38	1	6	0	70	481.593	8	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 95893
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 = 95893 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=95893&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": "95893"        

    });
</script>

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