ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

6729554

Analogs

16610209
16610211
16610252
16610255
16637332

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-2-[(4-ethoxyphenyl)sulfonyl-methyl-amino]-acetamide N-cyclopropyl-2-[(4-ethoxyphenyl…

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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)	1.66	3.12	-12.43	1	6	0	76	312.391	7	↓ MOL2 SDF SMILES Flexibase

10515265

Analogs

9459971

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-2-[(3,5-difluorophenyl)sulfonyl-methyl-amino]-acetamide N-cyclopropyl-2-[(3,5-difluoroph…

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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)	1.48	-3.34	-15.38	1	5	0	66	304.318	5	↓ MOL2 SDF SMILES Flexibase

50657918

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-amino-2-nitro-phenyl)sulfonylamino]-N-cyclopropyl-acetamide 2-[(4-amino-2-nitro-phenyl)sulfo…

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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)	-0.06	0.28	-20.3	4	9	0	147	314.323	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.06	0.01	-56.47	3	9	-1	149	313.315	6	↓ MOL2 SDF SMILES Flexibase

50657921

Analogs

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Popular Name: 2-[(2-amino-5-nitro-phenyl)sulfonylamino]-N-cyclopropyl-acetamide 2-[(2-amino-5-nitro-phenyl)sulfo…

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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)	0.35	-0.12	-16.95	4	9	0	147	314.323	6	↓ MOL2 SDF SMILES Flexibase

50657924

Analogs

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Popular Name: 2-[(2-amino-4-nitro-phenyl)sulfonylamino]-N-cyclopropyl-acetamide 2-[(2-amino-4-nitro-phenyl)sulfo…

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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)	0.35	-0.17	-14.44	4	9	0	147	314.323	6	↓ MOL2 SDF SMILES Flexibase

50657927

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5-amino-2-nitro-phenyl)sulfonylamino]-N-cyclopropyl-acetamide 2-[(5-amino-2-nitro-phenyl)sulfo…

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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)	-0.06	0.28	-21.37	4	9	0	147	314.323	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.06	-0.03	-57.62	3	9	-1	149	313.315	6	↓ MOL2 SDF SMILES Flexibase

50657930

Analogs

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Popular Name: N-cyclopropyl-2-[[4-(methylamino)phenyl]sulfonylamino]acetamide N-cyclopropyl-2-[[4-(methylamino…

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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)	0.84	-0.32	-14.72	3	6	0	87	283.353	6	↓ MOL2 SDF SMILES Flexibase

50657933

Analogs

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Popular Name: N-cyclopropyl-2-[[4-(ethylamino)phenyl]sulfonylamino]acetamide N-cyclopropyl-2-[[4-(ethylamino)…

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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)	1.21	0.48	-14.27	3	6	0	87	297.38	7	↓ MOL2 SDF SMILES Flexibase

50657935

Analogs

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Popular Name: N-cyclopropyl-2-[[4-(propylamino)phenyl]sulfonylamino]acetamide N-cyclopropyl-2-[[4-(propylamino…

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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)	1.72	1.23	-14.14	3	6	0	87	311.407	8	↓ MOL2 SDF SMILES Flexibase

50657946

Analogs

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Popular Name: N-cyclopropyl-2-[[2-(methylamino)phenyl]sulfonylamino]acetamide N-cyclopropyl-2-[[2-(methylamino…

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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)	0.79	0.14	-13.47	3	6	0	87	283.353	6	↓ MOL2 SDF SMILES Flexibase

50657949

Analogs

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Popular Name: N-cyclopropyl-2-[[2-(ethylamino)phenyl]sulfonylamino]acetamide N-cyclopropyl-2-[[2-(ethylamino)…

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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)	1.16	0.95	-13.32	3	6	0	87	297.38	7	↓ MOL2 SDF SMILES Flexibase

50657951

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-2-[[2-(propylamino)phenyl]sulfonylamino]acetamide N-cyclopropyl-2-[[2-(propylamino…

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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)	1.67	1.71	-13.08	3	6	0	87	311.407	8	↓ MOL2 SDF SMILES Flexibase

36105183

Analogs

36781381
36782140
36782163
36782164
36782730

Draw Identity 99% 90% 80% 70%

Popular Name: 2-benzenesulfonamido-N-cyclopropylacetamide 2-benzenesulfonamido-N-cycloprop…

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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)	0.98	0.87	-14.09	2	5	0	75	254.311	5	↓ MOL2 SDF SMILES Flexibase

36105185

Analogs

36780730
36780736
36781391
36781397
36782150

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-chlorophenyl)sulfonylamino]-N-cyclopropyl-acetamide 2-[(4-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)	1.66	1.39	-13.22	2	5	0	75	288.756	5	↓ MOL2 SDF SMILES Flexibase

36105188

Analogs

36780759
36781420
36782140
36782179
6358317

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-bromophenyl)sulfonylamino]-N-cyclopropyl-acetamide 2-[(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)	1.79	1.49	-13.12	2	5	0	75	333.207	5	↓ MOL2 SDF SMILES Flexibase

36105193

Analogs

36781408
36782155
36782158
36782167
36782171

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-2-[(2,5-dimethylphenyl)sulfonylamino]acetamide N-cyclopropyl-2-[(2,5-dimethylph…

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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)	1.80	2.35	-12.96	2	5	0	75	282.365	5	↓ MOL2 SDF SMILES Flexibase

36105200

Analogs

36782165
36782175
36782532
36782596
36782663

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-2-[(4-isopropylphenyl)sulfonylamino]acetamide N-cyclopropyl-2-[(4-isopropylphe…

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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)	2.49	2.8	-13.4	2	5	0	75	296.392	6	↓ MOL2 SDF SMILES Flexibase

36105206

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-2-[(4-fluoro-2-methyl-phenyl)sulfonylamino]acetamide N-cyclopropyl-2-[(4-fluoro-2-met…

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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)	1.52	1.84	-12.41	2	5	0	75	286.328	5	↓ MOL2 SDF SMILES Flexibase

36105211

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-2-[(4-methoxy-2-methyl-phenyl)sulfonylamino]acetamide N-cyclopropyl-2-[(4-methoxy-2-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)	1.41	1.07	-13.61	2	6	0	85	298.364	6	↓ MOL2 SDF SMILES Flexibase

36105245

Analogs

36780751
36781257
36781316
36781322
36782017

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-2-(m-tolylsulfonylamino)acetamide N-cyclopropyl-2-(m-tolylsulfonyl…

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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)	1.40	1.53	-13.84	2	5	0	75	268.338	5	↓ MOL2 SDF SMILES Flexibase

36105247

Analogs

36781402
36782161

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3-chloro-4-methyl-phenyl)sulfonylamino]-N-cyclopropyl-acetamide 2-[(3-chloro-4-methyl-phenyl)sul…

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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)	2.03	1.97	-12.76	2	5	0	75	302.783	5	↓ MOL2 SDF SMILES Flexibase

36105309

Analogs

36782145
36782160
36782737

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-2-[(4-ethoxyphenyl)sulfonylamino]acetamide N-cyclopropyl-2-[(4-ethoxyphenyl…

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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)	1.41	1.09	-14.04	2	6	0	85	298.364	7	↓ MOL2 SDF SMILES Flexibase

36105317

Analogs

36780739
36781188
36781907
36782151
36782159

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-2-(o-tolylsulfonylamino)acetamide N-cyclopropyl-2-(o-tolylsulfonyl…

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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)	1.38	1.77	-13.26	2	5	0	75	268.338	5	↓ MOL2 SDF SMILES Flexibase

36105319

Analogs

36780732
36781393
36782152
36782177

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2-chlorophenyl)sulfonylamino]-N-cyclopropyl-acetamide 2-[(2-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)	1.61	0.93	-12.66	2	5	0	75	288.756	5	↓ MOL2 SDF SMILES Flexibase

20003794

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-2-[(2,5-dibromophenyl)sulfonyl-methyl-amino]acetamide N-cyclopropyl-2-[(2,5-dibromophe…

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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)	2.77	3.98	-16.76	1	5	0	66	426.13	5	↓ MOL2 SDF SMILES Flexibase

20003802

Analogs

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Popular Name: N-cyclopropyl-2-[(4-methoxy-3-nitro-phenyl)sulfonyl-methyl-amino]acetamide N-cyclopropyl-2-[(4-methoxy-3-ni…

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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)	1.17	3.74	-18.81	1	9	0	122	343.361	7	↓ MOL2 SDF SMILES Flexibase

20003807

Analogs

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Popular Name: N-cyclopropyl-2-[methyl-(4-sec-butylphenyl)sulfonyl-amino]acetamide N-cyclopropyl-2-[methyl-(4-sec-b…

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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)	3.08	5.5	-18.74	1	5	0	66	324.446	7	↓ MOL2 SDF SMILES Flexibase

20003810

Analogs

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Popular Name: N-cyclopropyl-2-[methyl-(4-sec-butylphenyl)sulfonyl-amino]acetamide N-cyclopropyl-2-[methyl-(4-sec-b…

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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)	3.08	5.51	-18.75	1	5	0	66	324.446	7	↓ MOL2 SDF SMILES Flexibase

20003834

Analogs

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Popular Name: 2-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-methyl-amino]-N-cyclopropyl-acetamide 2-[[4-chloro-2-(trifluoromethyl)…

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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)	2.73	4.97	-24.67	1	5	0	66	370.78	6	↓ MOL2 SDF SMILES Flexibase

20003840

Analogs

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Popular Name: 2-[(4-tert-butyl-2,6-dimethyl-phenyl)sulfonyl-methyl-amino]-N-cyclopropyl-acetamide 2-[(4-tert-butyl-2,6-dimethyl-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)	3.68	6.42	-12.07	1	5	0	66	352.5	6	↓ MOL2 SDF SMILES Flexibase

20003843

Analogs

7304652

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-2-[methyl-[4-(trifluoromethyl)phenyl]sulfonyl-amino]acetamide N-cyclopropyl-2-[methyl-[4-(trif…

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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)	2.12	3.93	-18.3	1	5	0	66	336.335	6	↓ MOL2 SDF SMILES Flexibase

36128266

Analogs

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Popular Name: 2-[(3-aminophenyl)sulfonyl-methyl-amino]-N-cyclopropyl-acetamide 2-[(3-aminophenyl)sulfonyl-methy…

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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)	0.28	0.75	-17.92	3	6	0	93	283.353	5	↓ MOL2 SDF SMILES Flexibase

36128267

Analogs

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Popular Name: 2-[(2-amino-6-methyl-phenyl)sulfonyl-methyl-amino]-N-cyclopropyl-acetamide 2-[(2-amino-6-methyl-phenyl)sulf…

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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)	1.06	1.89	-11.77	3	6	0	93	297.38	5	↓ MOL2 SDF SMILES Flexibase

36128270

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-amino-2-chloro-phenyl)sulfonyl-methyl-amino]-N-cyclopropyl-acetamide 2-[(4-amino-2-chloro-phenyl)sulf…

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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)	0.91	0.99	-18.12	3	6	0	93	317.798	5	↓ MOL2 SDF SMILES Flexibase

36128272

Analogs

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Popular Name: 2-[(3-amino-4-hydroxy-phenyl)sulfonyl-methyl-amino]-N-cyclopropyl-acetamide 2-[(3-amino-4-hydroxy-phenyl)sul…

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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)	0.42	-1.98	-18.89	4	7	0	113	299.352	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.42	-1.22	-48.84	3	7	-1	116	298.344	5	↓ MOL2 SDF SMILES Flexibase

36128273

Analogs

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Popular Name: 2-[(3-amino-4-fluoro-phenyl)sulfonyl-methyl-amino]-N-cyclopropyl-acetamide 2-[(3-amino-4-fluoro-phenyl)sulf…

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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)	0.80	0.84	-16.88	3	6	0	93	301.343	5	↓ MOL2 SDF SMILES Flexibase

36128276

Analogs

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Popular Name: 2-[(2-amino-4-methoxy-phenyl)sulfonyl-methyl-amino]-N-cyclopropyl-acetamide 2-[(2-amino-4-methoxy-phenyl)sul…

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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)	0.69	0.49	-17.58	3	7	0	102	313.379	6	↓ MOL2 SDF SMILES Flexibase

36128278

Analogs

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Popular Name: 2-[(2-amino-4,5-dimethyl-phenyl)sulfonyl-methyl-amino]-N-cyclopropyl-acetamide 2-[(2-amino-4,5-dimethyl-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)	1.46	2.41	-12.26	3	6	0	93	311.407	5	↓ MOL2 SDF SMILES Flexibase

36128280

Analogs

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Popular Name: 2-[(2-amino-4-chloro-phenyl)sulfonyl-methyl-amino]-N-cyclopropyl-acetamide 2-[(2-amino-4-chloro-phenyl)sulf…

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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)	1.31	1.71	-16	3	6	0	93	317.798	5	↓ MOL2 SDF SMILES Flexibase

36128281

Analogs

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Popular Name: 2-[(5-amino-2-methyl-phenyl)sulfonyl-methyl-amino]-N-cyclopropyl-acetamide 2-[(5-amino-2-methyl-phenyl)sulf…

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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)	0.68	1.23	-12.35	3	6	0	93	297.38	5	↓ MOL2 SDF SMILES Flexibase

36128282

Analogs

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Popular Name: 2-[(5-amino-2-chloro-phenyl)sulfonyl-methyl-amino]-N-cyclopropyl-acetamide 2-[(5-amino-2-chloro-phenyl)sulf…

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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)	0.91	0.98	-17.76	3	6	0	93	317.798	5	↓ MOL2 SDF SMILES Flexibase

36128283

Analogs

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Popular Name: 2-[(5-amino-2-methoxy-phenyl)sulfonyl-methyl-amino]-N-cyclopropyl-acetamide 2-[(5-amino-2-methoxy-phenyl)sul…

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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)	0.28	0.59	-19.9	3	7	0	102	313.379	6	↓ MOL2 SDF SMILES Flexibase

36128284

Analogs

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Popular Name: 2-[(5-amino-2,4-difluoro-phenyl)sulfonyl-methyl-amino]-N-cyclopropyl-acetamide 2-[(5-amino-2,4-difluoro-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)	0.89	0.78	-16.63	3	6	0	93	319.333	5	↓ MOL2 SDF SMILES Flexibase

36128285

Analogs

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Popular Name: 2-[(3-amino-4,5-dimethyl-phenyl)sulfonyl-methyl-amino]-N-cyclopropyl-acetamide 2-[(3-amino-4,5-dimethyl-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)	1.46	2.09	-13.27	3	6	0	93	311.407	5	↓ MOL2 SDF SMILES Flexibase

36128286

Analogs

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Popular Name: 2-[(3-amino-4-chloro-phenyl)sulfonyl-methyl-amino]-N-cyclopropyl-acetamide 2-[(3-amino-4-chloro-phenyl)sulf…

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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)	1.31	1.33	-16.65	3	6	0	93	317.798	5	↓ MOL2 SDF SMILES Flexibase

36128287

Analogs

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Popular Name: 2-[(3-amino-4-methyl-phenyl)sulfonyl-methyl-amino]-N-cyclopropyl-acetamide 2-[(3-amino-4-methyl-phenyl)sulf…

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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)	1.08	1.55	-12.91	3	6	0	93	297.38	5	↓ MOL2 SDF SMILES Flexibase

36128288

Analogs

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Popular Name: 2-[(5-amino-2,3-dimethyl-phenyl)sulfonyl-methyl-amino]-N-cyclopropyl-acetamide 2-[(5-amino-2,3-dimethyl-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)	1.05	1.94	-12.65	3	6	0	93	311.407	5	↓ MOL2 SDF SMILES Flexibase

36128289

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3-amino-2-methyl-phenyl)sulfonyl-methyl-amino]-N-cyclopropyl-acetamide 2-[(3-amino-2-methyl-phenyl)sulf…

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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)	1.06	1.35	-12.47	3	6	0	93	297.38	5	↓ MOL2 SDF SMILES Flexibase

36128290

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3-amino-4-methoxy-phenyl)sulfonyl-methyl-amino]-N-cyclopropyl-acetamide 2-[(3-amino-4-methoxy-phenyl)sul…

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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)	0.69	0.17	-17.98	3	7	0	102	313.379	6	↓ MOL2 SDF SMILES Flexibase

36128291

Analogs

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Popular Name: 2-[(3-amino-5-chloro-4-methyl-phenyl)sulfonyl-methyl-amino]-N-cyclopropyl-acetamide 2-[(3-amino-5-chloro-4-methyl-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)	1.69	1.97	-12.57	3	6	0	93	331.825	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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