ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

35254041

Analogs

Draw Identity 99% 90% 80% 70%

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)	5.41	13.13	-12.63	1	6	0	92	420.852	7	↓ MOL2 SDF SMILES Flexibase

36151228

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (Z)-3-[5-(4-bromophenyl)-2-furyl]-N-(p-tolyl)prop-2-enamide (Z)-3-[5-(4-bromophenyl)-2-furyl…

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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	11.92	-12.3	1	3	0	42	382.257	4	↓ MOL2 SDF SMILES Flexibase

22709906

Analogs

39850974
4543187

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-N-[3,5-bis(trifluoromethyl)phenyl]-3-[5-(3-chloro-4-methyl-phenyl)-2-furyl]prop-2-enamide (E)-N-[3,5-bis(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)	7.24	12.77	-8.81	1	3	0	42	473.8	6	↓ MOL2 SDF SMILES Flexibase

22714058

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[5-(3-chloro-4-methyl-phenyl)-2-furyl]-N-(4-iodo-2-methyl-phenyl)prop-2-enamide (E)-3-[5-(3-chloro-4-methyl-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)	6.98	12.7	-8.18	1	3	0	42	477.729	4	↓ MOL2 SDF SMILES Flexibase

22738941

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[5-(3-chloro-4-methyl-phenyl)-2-furyl]-N-(2-fluoro-4-iodo-phenyl)prop-2-enamide (E)-3-[5-(3-chloro-4-methyl-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)	6.69	11.95	-6.47	1	3	0	42	481.692	4	↓ MOL2 SDF SMILES Flexibase

22750073

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[5-(3-chloro-4-methyl-phenyl)-2-furyl]-N-(2-ethyl-4-iodo-phenyl)prop-2-enamide (E)-3-[5-(3-chloro-4-methyl-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)	7.44	13.51	-8.55	1	3	0	42	491.756	5	↓ MOL2 SDF SMILES Flexibase

22750077

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[5-(3-chloro-4-methyl-phenyl)-2-furyl]-N-(4-iodo-2,5-dimethyl-phenyl)prop-2-enamide (E)-3-[5-(3-chloro-4-methyl-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)	7.35	13.23	-8.29	1	3	0	42	491.756	4	↓ MOL2 SDF SMILES Flexibase

13278311

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(E)-2-cyano-3-[5-[4-(isopropylsulfamoyl)phenyl]-2-furyl]prop-2-enoyl]amino]benzoic 4-[[(E)-2-cyano-3-[5-[4-(isoprop…

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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)	3.84	7.24	-64.36	2	9	-1	152	478.506	8	↓ MOL2 SDF SMILES Flexibase

13278315

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(E)-2-cyano-3-[5-[4-(isopropylsulfamoyl)phenyl]-2-furyl]prop-2-enoyl]amino]benzoic 2-[[(E)-2-cyano-3-[5-[4-(isoprop…

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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)	3.97	7.52	-70.32	2	9	-1	152	478.506	8	↓ MOL2 SDF SMILES Flexibase

13424151

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[5-[(E)-3-[(5-chloro-2-methoxy-phenyl)amino]-2-cyano-3-oxo-prop-1-enyl]-2-furyl]benzoic 4-[5-[(E)-3-[(5-chloro-2-methoxy…

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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)	4.76	9.47	-59.04	1	7	-1	115	421.816	6	↓ MOL2 SDF SMILES Flexibase

948698

Analogs

5753489
39884831
39884832
39884837

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(E)-2-cyano-3-[5-(4-fluorophenyl)-2-furyl]acryloyl]amino]benzoic-acid-methyl-ester 2-[[(E)-2-cyano-3-[5-(4-fluoroph…

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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)	4.65	4.7	-16.47	1	6	0	92	390.37	6	↓ MOL2 SDF SMILES Flexibase

948700

Analogs

39884838

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(E)-2-cyano-3-[5-(2-nitrophenyl)-2-furyl]acryloyl]amino]benzoic-acid-methyl-ester 2-[[(E)-2-cyano-3-[5-(2-nitrophe…

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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)	4.40	4.72	-25.84	1	9	0	138	417.377	7	↓ MOL2 SDF SMILES Flexibase

948702

Analogs

39884830
39884833
39884834
39884835
39884836

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(E)-2-cyano-3-[5-(2,5-dichlorophenyl)-2-furyl]acryloyl]amino]benzoic-acid-methyl-ester 2-[[(E)-2-cyano-3-[5-(2,5-dichlo…

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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)	5.77	3.65	-15.09	1	6	0	92	441.27	6	↓ MOL2 SDF SMILES Flexibase

948704

Analogs

39884830
39884834
39884835
39884836
39884841

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(E)-2-cyano-3-[5-(2,4-dichlorophenyl)-2-furyl]acryloyl]amino]benzoic-acid-methyl-ester 2-[[(E)-2-cyano-3-[5-(2,4-dichlo…

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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)	5.77	3.73	-16.5	1	6	0	92	441.27	6	↓ MOL2 SDF SMILES Flexibase

948706

Analogs

4464228
5393728
5774399
5863418
5868509

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-acetylaminophenyl)-3-[5-(3-chlorophenyl)-2-furyl]-2-cyano-prop-2-enamide N-(4-acetylaminophenyl)-3-[5-(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)	4.06	1.22	-15.8	2	6	0	95	405.841	5	↓ MOL2 SDF SMILES Flexibase

948708

Analogs

5769145
5777606
39884387
39884396
39884427

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-N-(4-acetamidophenyl)-2-cyano-3-[5-(4-fluorophenyl)-2-furyl]acrylamide (E)-N-(4-acetamidophenyl)-2-cyan…

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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	2.1	-17.57	2	6	0	95	389.386	5	↓ MOL2 SDF SMILES Flexibase

948710

Analogs

4953749
39884493

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-acetylaminophenyl)-2-cyano-3-[5-(3-nitrophenyl)-2-furyl]-prop-2-enamide N-(4-acetylaminophenyl)-2-cyano-…

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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)	3.34	1.89	-26.92	2	9	0	140	416.393	6	↓ MOL2 SDF SMILES Flexibase

948712

Analogs

6263194
39884388
39884391
39884398
39884418

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-N-(4-acetamidophenyl)-2-cyano-3-[5-(2-nitrophenyl)-2-furyl]acrylamide (E)-N-(4-acetamidophenyl)-2-cyan…

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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	2.07	-26.58	2	9	0	140	416.393	6	↓ MOL2 SDF SMILES Flexibase

948715

Analogs

4464229
39884397
39884451
39884452
39884472

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-acetylaminophenyl)-2-cyano-3-[5-(2,4-dichlorophenyl)-2-furyl]-prop-2-enamide N-(4-acetylaminophenyl)-2-cyano-…

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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)	4.69	1.08	-18.6	2	6	0	95	440.286	5	↓ MOL2 SDF SMILES Flexibase

949276

Analogs

5928933
6240974
39850892
39884411
39884417

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[5-[2-chloro-5-(trifluoromethyl)phenyl]-2-furyl]-2-cyano-N-phenyl-acrylamide (E)-3-[5-[2-chloro-5-(trifluorom…

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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)	5.69	4.46	-11.42	1	4	0	66	416.786	5	↓ MOL2 SDF SMILES Flexibase

949278

Analogs

39884419
39884435
39884442
39884507
39884510

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[5-[2-chloro-5-(trifluoromethyl)phenyl]-2-furyl]-2-cyano-N-(o-tolyl)acrylamide (E)-3-[5-[2-chloro-5-(trifluorom…

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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)	6.09	5.01	-11.33	1	4	0	66	430.813	5	↓ MOL2 SDF SMILES Flexibase

949280

Analogs

39850974
39884411
39884419
39884442
39884507

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[5-[2-chloro-5-(trifluoromethyl)phenyl]-2-furyl]-2-cyano-N-(m-tolyl)acrylamide (E)-3-[5-[2-chloro-5-(trifluorom…

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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)	6.11	4.78	-11.55	1	4	0	66	430.813	5	↓ MOL2 SDF SMILES Flexibase

949282

Analogs

5928933
35519133
39850892
39884411
39884419

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[5-[2-chloro-5-(trifluoromethyl)phenyl]-2-furyl]-2-cyano-N-(p-tolyl)acrylamide (E)-3-[5-[2-chloro-5-(trifluorom…

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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)	6.14	4.8	-11.36	1	4	0	66	430.813	5	↓ MOL2 SDF SMILES Flexibase

949284

Analogs

39884566
39884599
39884626
39884842
39884843

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-N-(2-chlorophenyl)-3-[5-[2-chloro-5-(trifluoromethyl)phenyl]-2-furyl]-2-cyano-acrylamide (E)-N-(2-chlorophenyl)-3-[5-[2-c…

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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)	6.32	4.49	-11.66	1	4	0	66	451.231	5	↓ MOL2 SDF SMILES Flexibase

949286

Analogs

39850892
39884411
39884419
39884442
39884510

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-N-(3-chlorophenyl)-3-[5-[2-chloro-5-(trifluoromethyl)phenyl]-2-furyl]-2-cyano-acrylamide (E)-N-(3-chlorophenyl)-3-[5-[2-c…

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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)	6.34	4.33	-11.58	1	4	0	66	451.231	5	↓ MOL2 SDF SMILES Flexibase

949288

Analogs

39850892
39884411
39884419
39884442
39884510

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-N-(4-chlorophenyl)-3-[5-[2-chloro-5-(trifluoromethyl)phenyl]-2-furyl]-2-cyano-acrylamide (E)-N-(4-chlorophenyl)-3-[5-[2-c…

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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)	6.37	4.33	-10.66	1	4	0	66	451.231	5	↓ MOL2 SDF SMILES Flexibase

949376

Analogs

39884530
39884531
39884554
39884791

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[5-[2-chloro-5-(trifluoromethyl)phenyl]-2-furyl]-2-cyano-N-(2-fluorophenyl)acrylamide (E)-3-[5-[2-chloro-5-(trifluorom…

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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)	5.80	5.25	-12.45	1	4	0	66	434.776	5	↓ MOL2 SDF SMILES Flexibase

949378

Analogs

39850892
39884411
39884419
39884442
39884523

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[5-[2-chloro-5-(trifluoromethyl)phenyl]-2-furyl]-2-cyano-N-(4-fluorophenyl)acrylamide (E)-3-[5-[2-chloro-5-(trifluorom…

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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)	5.85	5.21	-11.06	1	4	0	66	434.776	5	↓ MOL2 SDF SMILES Flexibase

949380

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-N-(2-bromophenyl)-3-[5-(4-chloro-3-nitro-phenyl)-2-furyl]-2-cyano-acrylamide (E)-N-(2-bromophenyl)-3-[5-(4-ch…

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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)	5.51	2.29	-21.38	1	7	0	112	472.682	5	↓ MOL2 SDF SMILES Flexibase

949383

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-N-(3-bromophenyl)-3-[5-(4-chloro-3-nitro-phenyl)-2-furyl]-2-cyano-acrylamide (E)-N-(3-bromophenyl)-3-[5-(4-ch…

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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)	5.54	2.07	-20.44	1	7	0	112	472.682	5	↓ MOL2 SDF SMILES Flexibase

949386

Analogs

9057477
39884439
39884459
39884492
39884552

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[5-(2-chloro-4-nitro-phenyl)-2-furyl]-N-(3-chlorophenyl)-2-cyano-acrylamide (E)-3-[5-(2-chloro-4-nitro-pheny…

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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)	5.41	2.71	-15.24	1	7	0	111	428.231	5	↓ MOL2 SDF SMILES Flexibase

949388

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-N-(3-bromophenyl)-3-[5-(2-chloro-4-nitro-phenyl)-2-furyl]-2-cyano-acrylamide (E)-N-(3-bromophenyl)-3-[5-(2-ch…

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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)	5.54	2.1	-15.17	1	7	0	112	472.682	5	↓ MOL2 SDF SMILES Flexibase

949390

Analogs

6997820
39884459
39884601
39884628
39884659

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Popular Name: (E)-3-[5-(2-chloro-4-nitro-phenyl)-2-furyl]-2-cyano-N-(3,4-dichlorophenyl)acrylamide (E)-3-[5-(2-chloro-4-nitro-pheny…

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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)	6.04	2.58	-15.14	1	7	0	111	462.676	5	↓ MOL2 SDF SMILES Flexibase

13798803

Analogs

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Popular Name: 4-chloro-3-[5-[(E)-2-cyano-3-[(4-fluorophenyl)amino]-3-oxo-prop-1-enyl]-2-furyl]benzoic 4-chloro-3-[5-[(E)-2-cyano-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)	4.87	10.08	-57.28	1	6	-1	106	409.78	5	↓ MOL2 SDF SMILES Flexibase

2783059

Analogs

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Popular Name: 2-[[(E)-2-cyano-3-[5-(2-methoxy-4-nitro-phenyl)-2-furyl]acryloyl]amino]benzoate 2-[[(E)-2-cyano-3-[5-(2-methoxy-…

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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)	4.17	3.07	-66.33	1	10	-1	161	432.368	7	↓ MOL2 SDF SMILES Flexibase

2784360

Analogs

13400989
13401073
2123255

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-2-cyano-N-(2-methyl-5-nitro-phenyl)-3-[5-(4-sulfamoylphenyl)-2-furyl]acrylamide (E)-2-cyano-N-(2-methyl-5-nitro-…

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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)	3.22	-2.7	-23.29	3	10	0	172	452.448	6	↓ MOL2 SDF SMILES Flexibase

2785378

Analogs

12372442

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[5-[(E)-3-(4-chloroanilino)-2-cyano-3-keto-prop-1-enyl]-2-furyl]-2-methyl-benzoate 3-[5-[(E)-3-(4-chloroanilino)-2-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.79	2.09	-61.86	1	6	-1	106	405.817	5	↓ MOL2 SDF SMILES Flexibase

2792891

Analogs

39884695
39884696
39884699
39884700

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[5-(3-chlorophenyl)-2-furyl]-2-cyano-N-(2-methyl-5-nitro-phenyl)acrylamide (E)-3-[5-(3-chlorophenyl)-2-fury…

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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)	5.18	3.39	-14.68	1	7	0	111	407.813	5	↓ MOL2 SDF SMILES Flexibase

2792964

Analogs

39884855

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Popular Name: (E)-3-[5-(2-chloro-5-nitro-phenyl)-2-furyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyano-acrylamid (E)-3-[5-(2-chloro-5-nitro-pheny…

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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)	6.25	5.02	-14.54	1	7	0	111	496.228	6	↓ MOL2 SDF SMILES Flexibase

2797178

Analogs

5753489

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(E)-3-[5-(4-carboxylatophenyl)-2-furyl]-2-cyano-acryloyl]amino]benzoate 2-[[(E)-3-[5-(4-carboxylatopheny…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.14	11.37	-117.74	1	8	-2	146	400.346	6	↓ MOL2 SDF SMILES Flexibase

2797230

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-N-(4-chloro-3-nitro-phenyl)-2-cyano-3-[5-(4-sulfamoylphenyl)-2-furyl]acrylamide (E)-N-(4-chloro-3-nitro-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)	3.45	-3.41	-23.6	3	10	0	172	472.866	6	↓ MOL2 SDF SMILES Flexibase

2797281

Analogs

39884855

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyano-3-[5-(2-methyl-4-nitro-phenyl)-2-furyl]acrylamide (E)-N-[2-chloro-5-(trifluorometh…

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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)	6.02	5.45	-13.63	1	7	0	111	475.81	6	↓ MOL2 SDF SMILES Flexibase

2797327

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[5-[(E)-2-cyano-3-keto-3-(2-methoxy-5-nitro-anilino)prop-1-enyl]-2-furyl]benzoate 4-[5-[(E)-2-cyano-3-keto-3-(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)	4.04	9.61	-62.15	1	10	-1	161	432.368	7	↓ MOL2 SDF SMILES Flexibase

2800855

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(E)-2-cyano-3-[5-(2-methoxy-4-nitro-phenyl)-2-furyl]acryloyl]amino]benzoate 3-[[(E)-2-cyano-3-[5-(2-methoxy-…

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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)	4.02	2.66	-65.67	1	10	-1	161	432.368	7	↓ MOL2 SDF SMILES Flexibase

2801586

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(E)-2-cyano-3-[5-(4-sulfamoylphenyl)-2-furyl]acryloyl]amino]benzoate 2-[[(E)-2-cyano-3-[5-(4-sulfamoy…

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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)	2.92	-3.78	-71.21	3	9	-1	166	436.425	6	↓ MOL2 SDF SMILES Flexibase

2801639

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[5-(3-chlorophenyl)-2-furyl]-2-cyano-N-(2-methoxy-5-nitro-phenyl)acrylamide (E)-3-[5-(3-chlorophenyl)-2-fury…

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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)	4.78	10.53	-14.88	1	8	0	121	423.812	6	↓ MOL2 SDF SMILES Flexibase

2801703

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-2-cyano-N-(2-methoxy-5-nitro-phenyl)-3-[5-(4-sulfamoylphenyl)-2-furyl]acrylamide (E)-2-cyano-N-(2-methoxy-5-nitro…

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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	-3.11	-23.41	3	11	0	181	468.447	7	↓ MOL2 SDF SMILES Flexibase

2801747

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[5-[(E)-2-cyano-3-keto-3-(2-methyl-5-nitro-anilino)prop-1-enyl]-2-furyl]benzoate 4-[5-[(E)-2-cyano-3-keto-3-(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)	4.43	3.11	-61.31	1	9	-1	151	416.369	6	↓ MOL2 SDF SMILES Flexibase

2801860

Analogs

39884842
39884843
39884847
39884848
39884850

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[5-[(E)-3-[2-chloro-5-(trifluoromethyl)anilino]-2-cyano-3-keto-prop-1-enyl]-2-furyl]benzoate 4-[5-[(E)-3-[2-chloro-5-(trifluo…

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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)	5.60	4.25	-57.87	1	6	-1	106	459.787	6	↓ MOL2 SDF SMILES Flexibase

2805822

Analogs

34889104
39884564
39884565
39884597
39884598

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-N-(2-chloro-6-methyl-phenyl)-3-[5-(3-chlorophenyl)-2-furyl]-2-cyano-acrylamide (E)-N-(2-chloro-6-methyl-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)	5.87	2.96	-11.13	1	4	0	66	397.261	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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