ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

29145755

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4-bromophenyl)sulfonylamino]-N-[3-(methoxymethyl)phenyl]propanamide 3-[(4-bromophenyl)sulfonylamino]…

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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)	2.82	3.91	-18.71	2	6	0	85	427.32	8	↓ MOL2 SDF SMILES Flexibase

17969918

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-N-(m-tolyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide N-ethyl-N-(m-tolyl)-3-[(4-nitrop…

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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)	2.41	7.42	-17.56	1	8	0	112	391.449	8	↓ MOL2 SDF SMILES Flexibase

17969921

Analogs

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Popular Name: 2-[3-[(4-nitrophenyl)sulfonylamino]propanoylamino]-N-propyl-benzamide 2-[3-[(4-nitrophenyl)sulfonylami…

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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)	2.06	4.56	-17.8	3	10	0	150	434.474	10	↓ MOL2 SDF SMILES Flexibase

17969940

Analogs

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Popular Name: 3-[(4-nitrophenyl)sulfonylamino]-N-[4-(propylsulfamoyl)phenyl]propanamide 3-[(4-nitrophenyl)sulfonylamino]…

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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)	1.99	1.98	-24.7	3	11	0	167	470.529	11	↓ MOL2 SDF SMILES Flexibase

12037911

Analogs

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Popular Name: 3-(4-ethoxyphenyl)sulfonylamino-N-(4-methylsulfanylphenyl)-propanamide 3-(4-ethoxyphenyl)sulfonylamino-…

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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)	2.95	4.77	-16.92	2	6	0	85	394.518	9	↓ MOL2 SDF SMILES Flexibase

12037990

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino-N-(4-methylsulfanylphenyl)-propanamide 3-[4-chloro-3-(trifluoromethyl)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)	4.01	-3.98	-15.79	2	5	0	75	452.907	8	↓ MOL2 SDF SMILES Flexibase

12038015

Analogs

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Popular Name: 3-(4-bromophenyl)sulfonylamino-N-(4-methylsulfanylphenyl)-propanamide 3-(4-bromophenyl)sulfonylamino-N…

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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)	3.32	-6.68	-16.3	2	5	0	75	429.361	7	↓ MOL2 SDF SMILES Flexibase

12040192

Analogs

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Popular Name: 3-(3-chlorophenyl)sulfonylamino-N-(4-methylsulfanylphenyl)-propanamide 3-(3-chlorophenyl)sulfonylamino-…

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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)	3.17	5.05	-15.68	2	5	0	75	384.91	7	↓ MOL2 SDF SMILES Flexibase

12040391

Analogs

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Popular Name: 3-(4-methoxyphenyl)sulfonylamino-N-(4-methylsulfanylphenyl)-propanamide 3-(4-methoxyphenyl)sulfonylamino…

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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)	2.57	-5.9	-16.8	2	6	0	85	380.491	8	↓ MOL2 SDF SMILES Flexibase

22705240

Analogs

25444286

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4-tert-butylphenyl)sulfonylamino]-N-(2-methoxyphenyl)propanamide 3-[(4-tert-butylphenyl)sulfonyla…

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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)	3.80	5.36	-17.45	2	6	0	85	390.505	8	↓ MOL2 SDF SMILES Flexibase

22705259

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-methoxyphenyl)propanamide 3-[(3,4-difluorophenyl)sulfonyla…

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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)	2.34	3.15	-17.51	2	6	0	85	370.377	7	↓ MOL2 SDF SMILES Flexibase

13127885

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chloro-4-methoxy-phenyl)-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide N-(3-chloro-4-methoxy-phenyl)-3-…

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Activity (Go SEA)

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)	3.71	3.16	-19.15	2	7	0	94	452.838	9	↓ MOL2 SDF SMILES Flexibase

22743457

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4-acetylphenyl)sulfonylamino]-N-(3,4-dipropoxyphenyl)propanamide 3-[(4-acetylphenyl)sulfonylamino…

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Activity (Go SEA)

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)	3.38	6.7	-24.46	2	8	0	111	462.568	13	↓ MOL2 SDF SMILES Flexibase

22744620

Analogs

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Popular Name: 3-[(4-fluorophenyl)sulfonylamino]-N-(3-iodo-4-methyl-phenyl)propanamide 3-[(4-fluorophenyl)sulfonylamino…

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Activity (Go SEA)

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)	3.70	5.34	-17.36	2	5	0	75	462.284	6	↓ MOL2 SDF SMILES Flexibase

22746146

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4-acetylphenyl)sulfonylamino]-N-(4-pentylphenyl)propanamide 3-[(4-acetylphenyl)sulfonylamino…

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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)	4.35	7.81	-21.29	2	6	0	92	416.543	11	↓ MOL2 SDF SMILES Flexibase

22746157

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(4-pentylphenyl)propanamide 3-[(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)	4.10	6.59	-21.07	2	7	0	94	434.558	12	↓ MOL2 SDF SMILES Flexibase

22753582

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4-acetylphenyl)sulfonylamino]-N-[3-(difluoromethoxy)-4-methoxy-phenyl]propanamide 3-[(4-acetylphenyl)sulfonylamino…

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Activity (Go SEA)

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)	2.18	3.45	-24.75	2	8	0	111	442.44	10	↓ MOL2 SDF SMILES Flexibase

23043022

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4-acetylphenyl)sulfonylamino]-N-(4-diethylaminophenyl)propanamide 3-[(4-acetylphenyl)sulfonylamino…

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Activity (Go SEA)

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)	2.83	6.32	-22.06	2	7	0	96	417.531	10	↓ MOL2 SDF SMILES Flexibase

24990967

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(difluoromethoxy)phenyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide N-[4-(difluoromethoxy)phenyl]-3-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.86	3.21	-21	2	6	0	85	388.367	8	↓ MOL2 SDF SMILES Flexibase

37104574

Analogs

12853430
9342798
14201557
9342738
14186966

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4-bromophenyl)sulfonylamino]-N-(2-hydroxyphenyl)propanamide 3-[(4-bromophenyl)sulfonylamino]…

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Activity (Go SEA)

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)	2.62	1.41	-14.67	3	6	0	95	399.266	6	↓ MOL2 SDF SMILES Flexibase

68853878

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]-N-phenyl-propanamide 3-[(2,3,4,5,6-pentamethylphenyl)…

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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)	4.04	6.54	-15.32	2	5	0	75	374.506	6	↓ MOL2 SDF SMILES Flexibase

57993543

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-3-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]benzamide N-ethyl-3-[3-[(4-fluorophenyl)su…

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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)	1.79	2.71	-25.5	3	7	0	104	393.44	8	↓ MOL2 SDF SMILES Flexibase

14236477

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-chloro-2,4-dimethoxy-phenyl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide N-(5-chloro-2,4-dimethoxy-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)	3.55	4	-18.09	2	7	0	94	426.922	8	↓ MOL2 SDF SMILES Flexibase

14236484

Analogs

6402740
8291697

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,5-dimethylphenyl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide N-(3,5-dimethylphenyl)-3-[(3,4-d…

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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)	3.73	6.06	-16.05	2	5	0	75	360.479	6	↓ MOL2 SDF SMILES Flexibase

14249405

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-acetamido-2-methoxy-phenyl)-3-[(4-chlorophenyl)sulfonylamino]propanamide N-(5-acetamido-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)	1.96	2.36	-19.41	3	8	0	114	425.894	8	↓ MOL2 SDF SMILES Flexibase

15700194

Analogs

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Popular Name: 3-[(3,4-dimethylphenyl)sulfonylamino]-N-(3-iodophenyl)propanamide 3-[(3,4-dimethylphenyl)sulfonyla…

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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)	3.96	5.84	-16.96	2	5	0	75	458.321	6	↓ MOL2 SDF SMILES Flexibase

15700234

Analogs

25257691

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4-ethoxyphenyl)sulfonylamino]-N-(3-iodophenyl)propanamide 3-[(4-ethoxyphenyl)sulfonylamino…

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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)	3.57	4.86	-16.93	2	6	0	85	474.32	8	↓ MOL2 SDF SMILES Flexibase

69057162

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4-bromophenyl)sulfonylamino]-N-(2-propoxyphenyl)propanamide 3-[(4-bromophenyl)sulfonylamino]…

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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)	3.78	5.3	-13.66	2	6	0	85	441.347	9	↓ MOL2 SDF SMILES Flexibase

55639274

Analogs

55639272

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(benzenesulfonamido)-N-[4-[(1S)-1-methylpropoxy]phenyl]propanamide 3-(benzenesulfonamido)-N-[4-[(1S…

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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)	3.38	5.22	-17.2	2	6	0	85	376.478	9	↓ MOL2 SDF SMILES Flexibase

67045882

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(benzenesulfonamido)-N-[2-fluoro-5-(trifluoromethyl)phenyl]propanamide 3-(benzenesulfonamido)-N-[2-fluo…

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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)	3.07	4.64	-15.38	2	5	0	75	390.358	7	↓ MOL2 SDF SMILES Flexibase

41595373

Analogs

25542312
39700072

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[3-[(2,4-dimethylphenyl)sulfonylamino]propanoylamino]-N-methyl-benzamide 3-[3-[(2,4-dimethylphenyl)sulfon…

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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)	2.07	3.36	-27.91	3	7	0	104	389.477	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 11884
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 = 11884 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

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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', {
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