ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

36129410

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(E)-3-[cyclopropyl(2-hydroxyethyl)amino]-3-oxo-prop-1-enyl]benzamide 4-[(E)-3-[cyclopropyl(2-hydroxye…

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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	2.05	-14.92	3	5	0	84	274.32	6	↓ MOL2 SDF SMILES Flexibase

36129413

Analogs

37860622
37860983

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-N-cyclopropyl-N-(2-hydroxyethyl)-3-(2-methoxy-5-methyl-phenyl)prop-2-enamide (E)-N-cyclopropyl-N-(2-hydroxyet…

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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)	2.00	5.28	-10.74	1	4	0	50	275.348	6	↓ MOL2 SDF SMILES Flexibase

36129438

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-N-cyclopropyl-3-(4-dimethylaminophenyl)-N-(2-hydroxyethyl)prop-2-enamide (E)-N-cyclopropyl-3-(4-dimethyla…

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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	5.63	-9.06	1	4	0	44	274.364	6	↓ MOL2 SDF SMILES Flexibase

36129441

Analogs

37861027

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-N-cyclopropyl-3-(2-ethoxyphenyl)-N-(2-hydroxyethyl)prop-2-enamide (E)-N-cyclopropyl-3-(2-ethoxyphe…

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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)	1.95	5.54	-10.95	1	4	0	50	275.348	7	↓ MOL2 SDF SMILES Flexibase

36129442

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-N-cyclopropyl-3-(4-ethoxyphenyl)-N-(2-hydroxyethyl)prop-2-enamide (E)-N-cyclopropyl-3-(4-ethoxyphe…

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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)	2.18	5.49	-8.83	1	4	0	50	275.348	7	↓ MOL2 SDF SMILES Flexibase

36129592

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-(5-bromo-2-methoxy-phenyl)-N-cyclopropyl-N-(2-hydroxyethyl)prop-2-enamide (E)-3-(5-bromo-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)	2.36	5.24	-9.34	1	4	0	50	340.217	6	↓ MOL2 SDF SMILES Flexibase

36129616

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-N-cyclopropyl-N-(2-hydroxyethyl)-3-(4-isopropylphenyl)prop-2-enamide (E)-N-cyclopropyl-N-(2-hydroxyet…

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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)	3.26	7.17	-7.72	1	3	0	41	273.376	6	↓ MOL2 SDF SMILES Flexibase

36129661

Analogs

37860665
37861026

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-(3-chloro-4-fluoro-phenyl)-N-cyclopropyl-N-(2-hydroxyethyl)prop-2-enamide (E)-3-(3-chloro-4-fluoro-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)	2.52	5.83	-8.16	1	3	0	41	283.73	5	↓ MOL2 SDF SMILES Flexibase

36129663

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-(2-bromo-4-methyl-phenyl)-N-cyclopropyl-N-(2-hydroxyethyl)prop-2-enamide (E)-3-(2-bromo-4-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)	2.75	6.43	-9.56	1	3	0	41	324.218	5	↓ MOL2 SDF SMILES Flexibase

36129668

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-(2-bromophenyl)-N-cyclopropyl-N-(2-hydroxyethyl)prop-2-enamide (E)-3-(2-bromophenyl)-N-cyclopro…

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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)	2.33	5.76	-9.87	1	3	0	41	310.191	5	↓ MOL2 SDF SMILES Flexibase

36129670

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-N-cyclopropyl-N-(2-hydroxyethyl)-3-(m-tolyl)prop-2-enamide (E)-N-cyclopropyl-N-(2-hydroxyet…

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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)	2.17	5.92	-8.09	1	3	0	41	245.322	5	↓ MOL2 SDF SMILES Flexibase

36129674

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-(4-cyanophenyl)-N-cyclopropyl-N-(2-hydroxyethyl)prop-2-enamide (E)-3-(4-cyanophenyl)-N-cyclopro…

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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)	1.50	5.65	-10.8	1	4	0	64	256.305	5	↓ MOL2 SDF SMILES Flexibase

36129675

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-N-cyclopropyl-3-(2,6-dichlorophenyl)-N-(2-hydroxyethyl)prop-2-enamide (E)-N-cyclopropyl-3-(2,6-dichlor…

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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)	2.83	6.16	-8.36	1	3	0	41	300.185	5	↓ MOL2 SDF SMILES Flexibase

36129680

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-(3-chloro-4-methyl-phenyl)-N-cyclopropyl-N-(2-hydroxyethyl)prop-2-enamide (E)-3-(3-chloro-4-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)	2.80	6.36	-7.51	1	3	0	41	279.767	5	↓ MOL2 SDF SMILES Flexibase

36129695

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-N-cyclopropyl-3-(2,4-dichlorophenyl)-N-(2-hydroxyethyl)prop-2-enamide (E)-N-cyclopropyl-3-(2,4-dichlor…

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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)	2.85	6.2	-8.95	1	3	0	41	300.185	5	↓ MOL2 SDF SMILES Flexibase

36129779

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-N-cyclopropyl-N-(2-hydroxyethyl)-3-(2-nitrophenyl)prop-2-enamide (E)-N-cyclopropyl-N-(2-hydroxyet…

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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	5.85	-17.27	1	6	0	86	276.292	6	↓ MOL2 SDF SMILES Flexibase

36129785

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-N-cyclopropyl-N-(2-hydroxyethyl)-3-(4-methoxyphenyl)prop-2-enamide (E)-N-cyclopropyl-N-(2-hydroxyet…

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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)	1.81	4.56	-9.01	1	4	0	50	261.321	6	↓ MOL2 SDF SMILES Flexibase

36129786

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-N-cyclopropyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)prop-2-enamide (E)-N-cyclopropyl-3-(4-fluorophe…

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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)	1.91	5.32	-8.21	1	3	0	41	249.285	5	↓ MOL2 SDF SMILES Flexibase

36129791

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-N-cyclopropyl-N-(2-hydroxyethyl)-3-phenyl-prop-2-enamide (E)-N-cyclopropyl-N-(2-hydroxyet…

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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)	1.75	5.26	-8.04	1	3	0	41	231.295	5	↓ MOL2 SDF SMILES Flexibase

36129818

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-(4-chlorophenyl)-N-cyclopropyl-N-(2-hydroxyethyl)prop-2-enamide (E)-3-(4-chlorophenyl)-N-cyclopr…

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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)	2.43	5.78	-7.79	1	3	0	41	265.74	5	↓ MOL2 SDF SMILES Flexibase

36129819

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-N-cyclopropyl-N-(2-hydroxyethyl)-3-(3-nitrophenyl)prop-2-enamide (E)-N-cyclopropyl-N-(2-hydroxyet…

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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	5.96	-13.68	1	6	0	86	276.292	6	↓ MOL2 SDF SMILES Flexibase

36129837

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-N-cyclopropyl-N-(2-hydroxyethyl)-3-(4-nitrophenyl)prop-2-enamide (E)-N-cyclopropyl-N-(2-hydroxyet…

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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)	1.71	5.97	-11.42	1	6	0	86	276.292	6	↓ MOL2 SDF SMILES Flexibase

36130263

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-N-cyclopropyl-3-(3-fluoro-4-methoxy-phenyl)-N-(2-hydroxyethyl)prop-2-enamide (E)-N-cyclopropyl-3-(3-fluoro-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)	1.90	4.64	-10.12	1	4	0	50	279.311	6	↓ MOL2 SDF SMILES Flexibase

36130292

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-N-cyclopropyl-3-(2,4-dimethylphenyl)-N-(2-hydroxyethyl)prop-2-enamide (E)-N-cyclopropyl-3-(2,4-dimethy…

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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)	2.39	6.45	-8.05	1	3	0	41	259.349	5	↓ MOL2 SDF SMILES Flexibase

36130345

Analogs

37860625
37860986

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-(2-chloro-6-fluoro-phenyl)-N-cyclopropyl-N-(2-hydroxyethyl)prop-2-enamide (E)-3-(2-chloro-6-fluoro-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)	2.31	5.75	-9.2	1	3	0	41	283.73	5	↓ MOL2 SDF SMILES Flexibase

36130373

Analogs

37860519

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-N-cyclopropyl-3-(2,5-dichlorophenyl)-N-(2-hydroxyethyl)prop-2-enamide (E)-N-cyclopropyl-3-(2,5-dichlor…

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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)	2.85	6.21	-7.9	1	3	0	41	300.185	5	↓ MOL2 SDF SMILES Flexibase

36130375

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-N-cyclopropyl-3-(3,5-dichlorophenyl)-N-(2-hydroxyethyl)prop-2-enamide (E)-N-cyclopropyl-3-(3,5-dichlor…

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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)	3.03	6.3	-6.83	1	3	0	41	300.185	5	↓ MOL2 SDF SMILES Flexibase

36130377

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-N-cyclopropyl-N-(2-hydroxyethyl)-3-(o-tolyl)prop-2-enamide (E)-N-cyclopropyl-N-(2-hydroxyet…

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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)	1.97	5.79	-7.99	1	3	0	41	245.322	5	↓ MOL2 SDF SMILES Flexibase

36130405

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-(3-cyanophenyl)-N-cyclopropyl-N-(2-hydroxyethyl)prop-2-enamide (E)-3-(3-cyanophenyl)-N-cyclopro…

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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	5.65	-11.93	1	4	0	64	256.305	5	↓ MOL2 SDF SMILES Flexibase

36130451

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-N-cyclopropyl-3-(3,4-dichlorophenyl)-N-(2-hydroxyethyl)prop-2-enamide (E)-N-cyclopropyl-3-(3,4-dichlor…

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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)	3.03	6.23	-7.62	1	3	0	41	300.185	5	↓ MOL2 SDF SMILES Flexibase

36130457

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-N-cyclopropyl-N-(2-hydroxyethyl)-3-(p-tolyl)prop-2-enamide (E)-N-cyclopropyl-N-(2-hydroxyet…

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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	5.93	-8.07	1	3	0	41	245.322	5	↓ MOL2 SDF SMILES Flexibase

36130466

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-N-cyclopropyl-3-(2-fluorophenyl)-N-(2-hydroxyethyl)prop-2-enamide (E)-N-cyclopropyl-3-(2-fluorophe…

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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	5.3	-10.93	1	3	0	41	249.285	5	↓ MOL2 SDF SMILES Flexibase

36130467

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-(4-bromophenyl)-N-cyclopropyl-N-(2-hydroxyethyl)prop-2-enamide (E)-3-(4-bromophenyl)-N-cyclopro…

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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	-7.69	1	3	0	41	310.191	5	↓ MOL2 SDF SMILES Flexibase

36130468

Analogs

37860699
37861059

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-N-cyclopropyl-3-(2,3-dichlorophenyl)-N-(2-hydroxyethyl)prop-2-enamide (E)-N-cyclopropyl-3-(2,3-dichlor…

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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)	2.83	6.14	-10.89	1	3	0	41	300.185	5	↓ MOL2 SDF SMILES Flexibase

36130469

Analogs

37860698
37861058

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-(5-bromo-2-fluoro-phenyl)-N-cyclopropyl-N-(2-hydroxyethyl)prop-2-enamide (E)-3-(5-bromo-2-fluoro-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)	2.47	5.92	-8.41	1	3	0	41	328.181	5	↓ MOL2 SDF SMILES Flexibase

36130478

Analogs

42453027

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Popular Name: (E)-N-cyclopropyl-N-(2-hydroxyethyl)-3-(4-hydroxyphenyl)prop-2-enamide (E)-N-cyclopropyl-N-(2-hydroxyet…

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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)	1.27	2.42	-9.44	2	4	0	61	247.294	5	↓ MOL2 SDF SMILES Flexibase

36130548

Analogs

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Popular Name: (E)-3-(3-bromophenyl)-N-cyclopropyl-N-(2-hydroxyethyl)prop-2-enamide (E)-3-(3-bromophenyl)-N-cyclopro…

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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)	2.53	5.88	-7.39	1	3	0	41	310.191	5	↓ MOL2 SDF SMILES Flexibase

36130564

Analogs

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Popular Name: (E)-N-cyclopropyl-3-(3-fluorophenyl)-N-(2-hydroxyethyl)prop-2-enamide (E)-N-cyclopropyl-3-(3-fluorophe…

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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)	1.89	5.32	-7.84	1	3	0	41	249.285	5	↓ MOL2 SDF SMILES Flexibase

36130566

Analogs

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Popular Name: (E)-3-(2-chlorophenyl)-N-cyclopropyl-N-(2-hydroxyethyl)prop-2-enamide (E)-3-(2-chlorophenyl)-N-cyclopr…

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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	5.69	-9.93	1	3	0	41	265.74	5	↓ MOL2 SDF SMILES Flexibase

36130568

Analogs

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Popular Name: (E)-3-(3-chlorophenyl)-N-cyclopropyl-N-(2-hydroxyethyl)prop-2-enamide (E)-3-(3-chlorophenyl)-N-cyclopr…

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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	5.78	-7.43	1	3	0	41	265.74	5	↓ MOL2 SDF SMILES Flexibase

36130569

Analogs

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Popular Name: (E)-N-cyclopropyl-N-(2-hydroxyethyl)-3-(3-methoxyphenyl)prop-2-enamide (E)-N-cyclopropyl-N-(2-hydroxyet…

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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)	1.78	4.55	-9.88	1	4	0	50	261.321	6	↓ MOL2 SDF SMILES Flexibase

36130571

Analogs

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Popular Name: (E)-N-cyclopropyl-N-(2-hydroxyethyl)-3-(2-methoxyphenyl)prop-2-enamide (E)-N-cyclopropyl-N-(2-hydroxyet…

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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)	1.58	4.62	-10.98	1	4	0	50	261.321	6	↓ MOL2 SDF SMILES Flexibase

36130671

Analogs

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Popular Name: (E)-N-cyclopropyl-3-(4-ethylphenyl)-N-(2-hydroxyethyl)prop-2-enamide (E)-N-cyclopropyl-3-(4-ethylphen…

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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)	2.66	6.7	-7.88	1	3	0	41	259.349	6	↓ MOL2 SDF SMILES Flexibase

69813585

Analogs

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Popular Name: (E)-3-(3-chlorophenyl)-N-cyclopropyl-N-[(1S)-1-methyl-2-methylsulfonyl-ethyl]prop-2-enamide (E)-3-(3-chlorophenyl)-N-cyclopr…

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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	7.69	-19.27	0	4	0	54	341.86	6	↓ MOL2 SDF SMILES Flexibase

69813587

Analogs

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Popular Name: (E)-3-(3-chlorophenyl)-N-cyclopropyl-N-[(1R)-1-methyl-2-methylsulfonyl-ethyl]prop-2-enamide (E)-3-(3-chlorophenyl)-N-cyclopr…

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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	7.86	-19	0	4	0	54	341.86	6	↓ MOL2 SDF SMILES Flexibase

69842828

Analogs

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Popular Name: (E)-N-cyclopropyl-3-(2,6-difluorophenyl)-N-[(1S)-1-methyl-2-methylsulfonyl-ethyl]prop-2-enamide (E)-N-cyclopropyl-3-(2,6-difluor…

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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)	2.16	7.33	-22.38	0	4	0	54	343.395	6	↓ MOL2 SDF SMILES Flexibase

69842830

Analogs

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Popular Name: (E)-N-cyclopropyl-3-(2,6-difluorophenyl)-N-[(1R)-1-methyl-2-methylsulfonyl-ethyl]prop-2-enamide (E)-N-cyclopropyl-3-(2,6-difluor…

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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)	2.16	7.53	-21.28	0	4	0	54	343.395	6	↓ MOL2 SDF SMILES Flexibase

69846232

Analogs

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Popular Name: (E)-N-cyclopropyl-3-(3-methoxyphenyl)-N-[(1S)-1-methyl-2-methylsulfonyl-ethyl]prop-2-enamide (E)-N-cyclopropyl-3-(3-methoxyph…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.14	6.47	-21.13	0	5	0	64	337.441	7	↓ MOL2 SDF SMILES Flexibase

69846233

Analogs

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Popular Name: (E)-N-cyclopropyl-3-(3-methoxyphenyl)-N-[(1R)-1-methyl-2-methylsulfonyl-ethyl]prop-2-enamide (E)-N-cyclopropyl-3-(3-methoxyph…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.14	6.64	-20.91	0	5	0	64	337.441	7	↓ MOL2 SDF SMILES Flexibase

48984959

Analogs

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Popular Name: (E)-2-cyano-N-cyclopropyl-3-(4-methoxy-3,5-dimethyl-phenyl)prop-2-enamide (E)-2-cyano-N-cyclopropyl-3-(4-m…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.67	6.51	-7.55	1	4	0	62	270.332	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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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 = 25871 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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Embed Link to Results

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