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ZINC Item

Suppliers, Protomers, & Similar Substances

Analogs

5353020

Draw Identity 99% 90% 80% 70%

Popular Name: olol olol

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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)	2.42	-2.45	-46.93	4	6	1	88	333.408	8	↓ MOL2 SDF SMILES Flexibase

6051388

Analogs

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Popular Name: N-[5-(dimethylsulfamoyl)-2-methyl-phenyl]furan-2-carboxamide N-[5-(dimethylsulfamoyl)-2-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)	1.77	-2.72	-15.45	1	6	0	79	308.359	4	↓ MOL2 SDF SMILES Flexibase

7152233

Analogs

11285207

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Popular Name: 3-methoxycarbonylpropylcarbamoylmethyl 3-methoxycarbonylpropylcarbamoyl…

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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)	1.83	1.53	-21.58	2	9	0	123	402.403	11	↓ MOL2 SDF SMILES Flexibase

7152251

Analogs

3488227

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Popular Name: pentylcarbamoylmethyl pentylcarbamoylmethyl

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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	0.83	-17.84	2	7	0	97	372.421	10	↓ MOL2 SDF SMILES Flexibase

7152260

Analogs

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Popular Name: 2-cyanoethylcarbamoylmethyl 2-cyanoethylcarbamoylmethyl

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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)	0.57	1.89	-22.77	2	10	0	139	401.375	10	↓ MOL2 SDF SMILES Flexibase

7152265

Analogs

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Popular Name: prop-2-ynylcarbamoylmethyl prop-2-ynylcarbamoylmethyl

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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)	1.28	1.82	-14.82	2	9	0	116	386.36	9	↓ MOL2 SDF SMILES Flexibase

8980363

Analogs

21961002

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Popular Name: N-(4-acetylaminophenyl)-3-methyl-furan-2-carboxamide N-(4-acetylaminophenyl)-3-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)	1.68	4.1	-16.89	2	5	0	71	258.277	3	↓ MOL2 SDF SMILES Flexibase

8980370

Analogs

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Popular Name: ethyl ethyl

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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)	3.27	2.17	-11.19	1	5	0	68	299.326	6	↓ MOL2 SDF SMILES Flexibase

8980371

Analogs

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Popular Name: N-(3,5-difluorophenyl)-5-methyl-furan-2-carboxamide N-(3,5-difluorophenyl)-5-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)	2.56	5.48	-6.95	1	3	0	42	237.205	2	↓ MOL2 SDF SMILES Flexibase

10506491

Analogs

36682070

Draw Identity 99% 90% 80% 70%

Popular Name: 2-furancarboxamide, 5-bromo-N-[2-(2-ethoxyethoxy)phenyl]- 2-furancarboxamide, 5-bromo-N-[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)	3.29	-0.71	-7.95	1	5	0	60	354.2	7	↓ MOL2 SDF SMILES Flexibase

10512070

Analogs

37075856

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Popular Name: N-(2-methylsulfonylphenyl)furan-2-carboxamide N-(2-methylsulfonylphenyl)furan-…

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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)	1.35	-2.07	-12.63	1	5	0	76	265.29	3	↓ MOL2 SDF SMILES Flexibase

46671305

Analogs

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Popular Name: N-[4-(difluoromethoxy)phenyl]-5-(methylsulfamoyl)furan-2-carboxamide N-[4-(difluoromethoxy)phenyl]-5-…

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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	0.31	-15.55	2	7	0	98	346.311	6	↓ MOL2 SDF SMILES Flexibase

46671962

Analogs

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Popular Name: N-(4-amino-3,5-dichloro-phenyl)-5-(methylsulfamoyl)furan-2-carboxamide N-(4-amino-3,5-dichloro-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)	2.14	-0.24	-11.53	4	7	0	114	364.21	4	↓ MOL2 SDF SMILES Flexibase

46672270

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(methylsulfamoyl)-N-(3-methylsulfanylphenyl)furan-2-carboxamide 5-(methylsulfamoyl)-N-(3-methyls…

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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)	1.85	1.76	-14.72	2	6	0	88	326.399	5	↓ MOL2 SDF SMILES Flexibase

35634890

Analogs

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Popular Name: 5-methyl-N-[4-[(1R)-1-(methylamino)ethyl]phenyl]furan-2-carboxamide 5-methyl-N-[4-[(1R)-1-(methylami…

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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)	2.42	5.87	-42.55	3	4	1	59	259.329	4	↓ MOL2 SDF SMILES Flexibase

35634891

Analogs

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Popular Name: 5-methyl-N-[4-[(1S)-1-(methylamino)ethyl]phenyl]furan-2-carboxamide 5-methyl-N-[4-[(1S)-1-(methylami…

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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)	2.42	5.88	-41.82	3	4	1	59	259.329	4	↓ MOL2 SDF SMILES Flexibase

35634962

Analogs

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Popular Name: N-[4-[(1S)-1-(methylamino)ethyl]phenyl]furan-2-carboxamide N-[4-[(1S)-1-(methylamino)ethyl]…

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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)	2.20	5.03	-45.37	3	4	1	59	245.302	4	↓ MOL2 SDF SMILES Flexibase

35634963

Analogs

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Popular Name: N-[4-[(1R)-1-(methylamino)ethyl]phenyl]furan-2-carboxamide N-[4-[(1R)-1-(methylamino)ethyl]…

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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)	2.20	5.03	-44.55	3	4	1	59	245.302	4	↓ MOL2 SDF SMILES Flexibase

35634984

Analogs

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Popular Name: 3-methyl-N-[4-[(1R)-1-(methylamino)ethyl]phenyl]furan-2-carboxamide 3-methyl-N-[4-[(1R)-1-(methylami…

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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)	2.58	5.74	-42.63	3	4	1	59	259.329	4	↓ MOL2 SDF SMILES Flexibase

35634985

Analogs

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Popular Name: 3-methyl-N-[4-[(1S)-1-(methylamino)ethyl]phenyl]furan-2-carboxamide 3-methyl-N-[4-[(1S)-1-(methylami…

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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)	2.58	5.73	-41.88	3	4	1	59	259.329	4	↓ MOL2 SDF SMILES Flexibase

35635054

Analogs

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Popular Name: N-[4-[(1S)-1-(ethylamino)ethyl]phenyl]-5-methyl-furan-2-carboxamide N-[4-[(1S)-1-(ethylamino)ethyl]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)	2.80	6.7	-43.42	3	4	1	59	273.356	5	↓ MOL2 SDF SMILES Flexibase

35635055

Analogs

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Popular Name: N-[4-[(1R)-1-(ethylamino)ethyl]phenyl]-5-methyl-furan-2-carboxamide N-[4-[(1R)-1-(ethylamino)ethyl]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)	2.80	6.7	-42.71	3	4	1	59	273.356	5	↓ MOL2 SDF SMILES Flexibase

35635088

Analogs

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Popular Name: N-[4-[(1S)-1-(ethylamino)ethyl]phenyl]furan-2-carboxamide N-[4-[(1S)-1-(ethylamino)ethyl]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)	2.58	5.88	-43.84	3	4	1	59	259.329	5	↓ MOL2 SDF SMILES Flexibase

35635089

Analogs

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Popular Name: N-[4-[(1R)-1-(ethylamino)ethyl]phenyl]furan-2-carboxamide N-[4-[(1R)-1-(ethylamino)ethyl]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)	2.58	5.88	-43.13	3	4	1	59	259.329	5	↓ MOL2 SDF SMILES Flexibase

35635104

Analogs

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Popular Name: N-[4-[(1S)-1-(ethylamino)ethyl]phenyl]-3-methyl-furan-2-carboxamide N-[4-[(1S)-1-(ethylamino)ethyl]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)	2.96	6.57	-43.29	3	4	1	59	273.356	5	↓ MOL2 SDF SMILES Flexibase

35635105

Analogs

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Popular Name: N-[4-[(1R)-1-(ethylamino)ethyl]phenyl]-3-methyl-furan-2-carboxamide N-[4-[(1R)-1-(ethylamino)ethyl]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)	2.96	6.56	-42.69	3	4	1	59	273.356	5	↓ MOL2 SDF SMILES Flexibase

35635152

Analogs

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Popular Name: 5-methyl-N-[4-[(1S)-1-(propylamino)ethyl]phenyl]furan-2-carboxamide 5-methyl-N-[4-[(1S)-1-(propylami…

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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)	3.30	7.46	-44.24	3	4	1	59	287.383	6	↓ MOL2 SDF SMILES Flexibase

35635153

Analogs

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Popular Name: 5-methyl-N-[4-[(1R)-1-(propylamino)ethyl]phenyl]furan-2-carboxamide 5-methyl-N-[4-[(1R)-1-(propylami…

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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)	3.30	7.47	-43.51	3	4	1	59	287.383	6	↓ MOL2 SDF SMILES Flexibase

35635174

Analogs

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Popular Name: N-[4-[(1S)-1-(propylamino)ethyl]phenyl]furan-2-carboxamide N-[4-[(1S)-1-(propylamino)ethyl]…

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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	6.64	-44.64	3	4	1	59	273.356	6	↓ MOL2 SDF SMILES Flexibase

35635175

Analogs

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Popular Name: N-[4-[(1R)-1-(propylamino)ethyl]phenyl]furan-2-carboxamide N-[4-[(1R)-1-(propylamino)ethyl]…

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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	6.63	-43.94	3	4	1	59	273.356	6	↓ MOL2 SDF SMILES Flexibase

35635184

Analogs

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Popular Name: 3-methyl-N-[4-[(1S)-1-(propylamino)ethyl]phenyl]furan-2-carboxamide 3-methyl-N-[4-[(1S)-1-(propylami…

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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)	3.46	7.32	-44.05	3	4	1	59	287.383	6	↓ MOL2 SDF SMILES Flexibase

35635185

Analogs

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Popular Name: 3-methyl-N-[4-[(1R)-1-(propylamino)ethyl]phenyl]furan-2-carboxamide 3-methyl-N-[4-[(1R)-1-(propylami…

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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)	3.46	7.32	-43.45	3	4	1	59	287.383	6	↓ MOL2 SDF SMILES Flexibase

35635238

Analogs

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Popular Name: 5-methyl-N-[3-[(1R)-1-(methylamino)ethyl]phenyl]furan-2-carboxamide 5-methyl-N-[3-[(1R)-1-(methylami…

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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)	2.40	5.88	-45.89	3	4	1	59	259.329	4	↓ MOL2 SDF SMILES Flexibase

35635239

Analogs

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Popular Name: 5-methyl-N-[3-[(1S)-1-(methylamino)ethyl]phenyl]furan-2-carboxamide 5-methyl-N-[3-[(1S)-1-(methylami…

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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)	2.40	5.89	-40.63	3	4	1	59	259.329	4	↓ MOL2 SDF SMILES Flexibase

35635328

Analogs

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Popular Name: 3-methyl-N-[3-[(1R)-1-(methylamino)ethyl]phenyl]furan-2-carboxamide 3-methyl-N-[3-[(1R)-1-(methylami…

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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)	2.56	5.73	-45.77	3	4	1	59	259.329	4	↓ MOL2 SDF SMILES Flexibase

35635329

Analogs

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Popular Name: 3-methyl-N-[3-[(1S)-1-(methylamino)ethyl]phenyl]furan-2-carboxamide 3-methyl-N-[3-[(1S)-1-(methylami…

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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)	2.56	5.75	-40.71	3	4	1	59	259.329	4	↓ MOL2 SDF SMILES Flexibase

35635396

Analogs

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Popular Name: N-[3-[(1S)-1-(ethylamino)ethyl]phenyl]-5-methyl-furan-2-carboxamide N-[3-[(1S)-1-(ethylamino)ethyl]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)	2.78	6.71	-43.91	3	4	1	59	273.356	5	↓ MOL2 SDF SMILES Flexibase

35635397

Analogs

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Popular Name: N-[3-[(1R)-1-(ethylamino)ethyl]phenyl]-5-methyl-furan-2-carboxamide N-[3-[(1R)-1-(ethylamino)ethyl]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)	2.78	6.7	-44.64	3	4	1	59	273.356	5	↓ MOL2 SDF SMILES Flexibase

35635430

Analogs

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Popular Name: N-[3-[(1S)-1-(ethylamino)ethyl]phenyl]furan-2-carboxamide N-[3-[(1S)-1-(ethylamino)ethyl]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)	2.56	5.89	-44.39	3	4	1	59	259.329	5	↓ MOL2 SDF SMILES Flexibase

35635431

Analogs

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Popular Name: N-[3-[(1R)-1-(ethylamino)ethyl]phenyl]furan-2-carboxamide N-[3-[(1R)-1-(ethylamino)ethyl]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)	2.56	5.88	-45.11	3	4	1	59	259.329	5	↓ MOL2 SDF SMILES Flexibase

35635446

Analogs

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Popular Name: N-[3-[(1S)-1-(ethylamino)ethyl]phenyl]-3-methyl-furan-2-carboxamide N-[3-[(1S)-1-(ethylamino)ethyl]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)	2.93	6.57	-44.4	3	4	1	59	273.356	5	↓ MOL2 SDF SMILES Flexibase

35635447

Analogs

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Popular Name: N-[3-[(1R)-1-(ethylamino)ethyl]phenyl]-3-methyl-furan-2-carboxamide N-[3-[(1R)-1-(ethylamino)ethyl]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)	2.93	6.57	-43.68	3	4	1	59	273.356	5	↓ MOL2 SDF SMILES Flexibase

35635492

Analogs

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Popular Name: 5-methyl-N-[3-[(1S)-1-(propylamino)ethyl]phenyl]furan-2-carboxamide 5-methyl-N-[3-[(1S)-1-(propylami…

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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)	3.28	7.46	-44.69	3	4	1	59	287.383	6	↓ MOL2 SDF SMILES Flexibase

35635493

Analogs

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Popular Name: 5-methyl-N-[3-[(1R)-1-(propylamino)ethyl]phenyl]furan-2-carboxamide 5-methyl-N-[3-[(1R)-1-(propylami…

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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)	3.28	7.46	-45.43	3	4	1	59	287.383	6	↓ MOL2 SDF SMILES Flexibase

35635514

Analogs

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Popular Name: N-[3-[(1S)-1-(propylamino)ethyl]phenyl]furan-2-carboxamide N-[3-[(1S)-1-(propylamino)ethyl]…

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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)	3.06	6.64	-45.13	3	4	1	59	273.356	6	↓ MOL2 SDF SMILES Flexibase

35635515

Analogs

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Popular Name: N-[3-[(1R)-1-(propylamino)ethyl]phenyl]furan-2-carboxamide N-[3-[(1R)-1-(propylamino)ethyl]…

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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)	3.06	6.63	-45.97	3	4	1	59	273.356	6	↓ MOL2 SDF SMILES Flexibase

35635524

Analogs

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Popular Name: 3-methyl-N-[3-[(1S)-1-(propylamino)ethyl]phenyl]furan-2-carboxamide 3-methyl-N-[3-[(1S)-1-(propylami…

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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)	3.44	7.34	-45.27	3	4	1	59	287.383	6	↓ MOL2 SDF SMILES Flexibase

35635525

Analogs

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Popular Name: 3-methyl-N-[3-[(1R)-1-(propylamino)ethyl]phenyl]furan-2-carboxamide 3-methyl-N-[3-[(1R)-1-(propylami…

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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)	3.44	7.32	-44.47	3	4	1	59	287.383	6	↓ MOL2 SDF SMILES Flexibase

35643134

Analogs

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Popular Name: 5-methyl-N-[2-[(1R)-1-(methylamino)ethyl]phenyl]furan-2-carboxamide 5-methyl-N-[2-[(1R)-1-(methylami…

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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)	2.38	6.13	-45.89	3	4	1	59	259.329	4	↓ MOL2 SDF SMILES Flexibase

35643137

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methyl-N-[2-[(1S)-1-(methylamino)ethyl]phenyl]furan-2-carboxamide 5-methyl-N-[2-[(1S)-1-(methylami…

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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)	2.38	6.17	-47.17	3	4	1	59	259.329	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 28
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 = 28 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=28&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": "28"        

    });
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