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ZINC Item

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49627420

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[2-[[(1S,2R)-2-ethylcyclohexoxy]methyl]phenyl]prop-2-enoic (E)-3-[2-[[(1S,2R)-2-ethylcycloh…

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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)	4.29	11.28	-47.92	0	3	-1	49	287.379	6	↓ MOL2 SDF SMILES Flexibase

49627421

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[2-[[(1S,2S)-2-ethylcyclohexoxy]methyl]phenyl]prop-2-enoic (E)-3-[2-[[(1S,2S)-2-ethylcycloh…

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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)	4.29	11.13	-48.09	0	3	-1	49	287.379	6	↓ MOL2 SDF SMILES Flexibase

49627422

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[2-[[(1R,2R)-2-ethylcyclohexoxy]methyl]phenyl]prop-2-enoic (E)-3-[2-[[(1R,2R)-2-ethylcycloh…

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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)	4.29	11.13	-48.07	0	3	-1	49	287.379	6	↓ MOL2 SDF SMILES Flexibase

49627423

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[2-[[(1R,2S)-2-ethylcyclohexoxy]methyl]phenyl]prop-2-enoic (E)-3-[2-[[(1R,2S)-2-ethylcycloh…

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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)	4.29	11.28	-47.92	0	3	-1	49	287.379	6	↓ MOL2 SDF SMILES Flexibase

49627425

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[4-[[(1S,2R)-2-ethylcyclohexoxy]methyl]phenyl]prop-2-enoic (E)-3-[4-[[(1S,2R)-2-ethylcycloh…

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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)	4.51	11.19	-49.03	0	3	-1	49	287.379	6	↓ MOL2 SDF SMILES Flexibase

49627427

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[4-[[(1S,2S)-2-ethylcyclohexoxy]methyl]phenyl]prop-2-enoic (E)-3-[4-[[(1S,2S)-2-ethylcycloh…

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Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.51	11.05	-48.86	0	3	-1	49	287.379	6	↓ MOL2 SDF SMILES Flexibase

49627428

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[4-[[(1R,2R)-2-ethylcyclohexoxy]methyl]phenyl]prop-2-enoic (E)-3-[4-[[(1R,2R)-2-ethylcycloh…

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Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.51	11.05	-48.86	0	3	-1	49	287.379	6	↓ MOL2 SDF SMILES Flexibase

49627429

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[4-[[(1R,2S)-2-ethylcyclohexoxy]methyl]phenyl]prop-2-enoic (E)-3-[4-[[(1R,2S)-2-ethylcycloh…

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Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.51	11.18	-48.97	0	3	-1	49	287.379	6	↓ MOL2 SDF SMILES Flexibase

49627431

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[3-[[(1S,2R)-2-ethylcyclohexoxy]methyl]phenyl]prop-2-enoic (E)-3-[3-[[(1S,2R)-2-ethylcycloh…

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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)	4.49	11.18	-49.85	0	3	-1	49	287.379	6	↓ MOL2 SDF SMILES Flexibase

49627432

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[3-[[(1S,2S)-2-ethylcyclohexoxy]methyl]phenyl]prop-2-enoic (E)-3-[3-[[(1S,2S)-2-ethylcycloh…

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Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.49	11.04	-49.66	0	3	-1	49	287.379	6	↓ MOL2 SDF SMILES Flexibase

49627433

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[3-[[(1R,2R)-2-ethylcyclohexoxy]methyl]phenyl]prop-2-enoic (E)-3-[3-[[(1R,2R)-2-ethylcycloh…

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Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.49	11.04	-49.47	0	3	-1	49	287.379	6	↓ MOL2 SDF SMILES Flexibase

49627434

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[3-[[(1R,2S)-2-ethylcyclohexoxy]methyl]phenyl]prop-2-enoic (E)-3-[3-[[(1R,2S)-2-ethylcycloh…

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Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.49	11.18	-49.63	0	3	-1	49	287.379	6	↓ MOL2 SDF SMILES Flexibase

49627435

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[2-[[(1S,2R)-2-methylcyclohexoxy]methyl]phenyl]prop-2-enoic (E)-3-[2-[[(1S,2R)-2-methylcyclo…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.78	10.64	-47.88	0	3	-1	49	273.352	5	↓ MOL2 SDF SMILES Flexibase

49627436

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[2-[[(1S,2S)-2-methylcyclohexoxy]methyl]phenyl]prop-2-enoic (E)-3-[2-[[(1S,2S)-2-methylcyclo…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.78	10.49	-48.03	0	3	-1	49	273.352	5	↓ MOL2 SDF SMILES Flexibase

49627437

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[2-[[(1R,2R)-2-methylcyclohexoxy]methyl]phenyl]prop-2-enoic (E)-3-[2-[[(1R,2R)-2-methylcyclo…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.78	10.49	-48.01	0	3	-1	49	273.352	5	↓ MOL2 SDF SMILES Flexibase

49627438

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[2-[[(1R,2S)-2-methylcyclohexoxy]methyl]phenyl]prop-2-enoic (E)-3-[2-[[(1R,2S)-2-methylcyclo…

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Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.78	10.64	-47.88	0	3	-1	49	273.352	5	↓ MOL2 SDF SMILES Flexibase

49627439

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[4-[[(1S,2R)-2-methylcyclohexoxy]methyl]phenyl]prop-2-enoic (E)-3-[4-[[(1S,2R)-2-methylcyclo…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.01	10.55	-49.1	0	3	-1	49	273.352	5	↓ MOL2 SDF SMILES Flexibase

49627440

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[4-[[(1S,2S)-2-methylcyclohexoxy]methyl]phenyl]prop-2-enoic (E)-3-[4-[[(1S,2S)-2-methylcyclo…

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Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.01	10.4	-48.87	0	3	-1	49	273.352	5	↓ MOL2 SDF SMILES Flexibase

49627441

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[4-[[(1R,2R)-2-methylcyclohexoxy]methyl]phenyl]prop-2-enoic (E)-3-[4-[[(1R,2R)-2-methylcyclo…

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Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.01	10.4	-48.74	0	3	-1	49	273.352	5	↓ MOL2 SDF SMILES Flexibase

49627442

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[4-[[(1R,2S)-2-methylcyclohexoxy]methyl]phenyl]prop-2-enoic (E)-3-[4-[[(1R,2S)-2-methylcyclo…

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Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.01	10.55	-49.02	0	3	-1	49	273.352	5	↓ MOL2 SDF SMILES Flexibase

49627444

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[3-fluoro-4-[[(1S,2R)-2-methylcyclohexoxy]methyl]phenyl]prop-2-enoic (E)-3-[3-fluoro-4-[[(1S,2R)-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)	4.10	10.77	-46.26	0	3	-1	49	291.342	5	↓ MOL2 SDF SMILES Flexibase

49627446

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[3-fluoro-4-[[(1S,2S)-2-methylcyclohexoxy]methyl]phenyl]prop-2-enoic (E)-3-[3-fluoro-4-[[(1S,2S)-2-me…

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Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.10	10.62	-46.13	0	3	-1	49	291.342	5	↓ MOL2 SDF SMILES Flexibase

49627447

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[3-fluoro-4-[[(1R,2R)-2-methylcyclohexoxy]methyl]phenyl]prop-2-enoic (E)-3-[3-fluoro-4-[[(1R,2R)-2-me…

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Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.10	10.62	-46.15	0	3	-1	49	291.342	5	↓ MOL2 SDF SMILES Flexibase

49627448

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[3-fluoro-4-[[(1R,2S)-2-methylcyclohexoxy]methyl]phenyl]prop-2-enoic (E)-3-[3-fluoro-4-[[(1R,2S)-2-me…

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Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.10	10.77	-46.26	0	3	-1	49	291.342	5	↓ MOL2 SDF SMILES Flexibase

49627449

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[3-[[(1S,2R)-2-methylcyclohexoxy]methyl]phenyl]prop-2-enoic (E)-3-[3-[[(1S,2R)-2-methylcyclo…

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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)	3.99	10.54	-49.93	0	3	-1	49	273.352	5	↓ MOL2 SDF SMILES Flexibase

49627450

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[3-[[(1S,2S)-2-methylcyclohexoxy]methyl]phenyl]prop-2-enoic (E)-3-[3-[[(1S,2S)-2-methylcyclo…

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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)	3.99	10.39	-49.65	0	3	-1	49	273.352	5	↓ MOL2 SDF SMILES Flexibase

49627452

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[3-[[(1R,2R)-2-methylcyclohexoxy]methyl]phenyl]prop-2-enoic (E)-3-[3-[[(1R,2R)-2-methylcyclo…

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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)	3.99	10.39	-49.42	0	3	-1	49	273.352	5	↓ MOL2 SDF SMILES Flexibase

49627454

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[3-[[(1R,2S)-2-methylcyclohexoxy]methyl]phenyl]prop-2-enoic (E)-3-[3-[[(1R,2S)-2-methylcyclo…

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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)	3.99	10.54	-49.6	0	3	-1	49	273.352	5	↓ MOL2 SDF SMILES Flexibase

49627458

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[5-fluoro-2-[[(1S,2R)-2-methylcyclohexoxy]methyl]phenyl]prop-2-enoic (E)-3-[5-fluoro-2-[[(1S,2R)-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)	3.92	10.7	-45.49	0	3	-1	49	291.342	5	↓ MOL2 SDF SMILES Flexibase

49627459

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[5-fluoro-2-[[(1S,2S)-2-methylcyclohexoxy]methyl]phenyl]prop-2-enoic (E)-3-[5-fluoro-2-[[(1S,2S)-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)	3.92	10.56	-45.55	0	3	-1	49	291.342	5	↓ MOL2 SDF SMILES Flexibase

49627461

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[5-fluoro-2-[[(1R,2R)-2-methylcyclohexoxy]methyl]phenyl]prop-2-enoic (E)-3-[5-fluoro-2-[[(1R,2R)-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)	3.92	10.56	-45.53	0	3	-1	49	291.342	5	↓ MOL2 SDF SMILES Flexibase

49627462

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[5-fluoro-2-[[(1R,2S)-2-methylcyclohexoxy]methyl]phenyl]prop-2-enoic (E)-3-[5-fluoro-2-[[(1R,2S)-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)	3.92	10.7	-45.51	0	3	-1	49	291.342	5	↓ MOL2 SDF SMILES Flexibase

49627463

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[2-fluoro-5-[[(1S,2R)-2-methylcyclohexoxy]methyl]phenyl]prop-2-enoic (E)-3-[2-fluoro-5-[[(1S,2R)-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)	3.92	10.59	-51.86	0	3	-1	49	291.342	5	↓ MOL2 SDF SMILES Flexibase

49627465

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[2-fluoro-5-[[(1S,2S)-2-methylcyclohexoxy]methyl]phenyl]prop-2-enoic (E)-3-[2-fluoro-5-[[(1S,2S)-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)	3.92	10.43	-51.51	0	3	-1	49	291.342	5	↓ MOL2 SDF SMILES Flexibase

49627466

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[2-fluoro-5-[[(1R,2R)-2-methylcyclohexoxy]methyl]phenyl]prop-2-enoic (E)-3-[2-fluoro-5-[[(1R,2R)-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)	3.92	10.43	-51.07	0	3	-1	49	291.342	5	↓ MOL2 SDF SMILES Flexibase

49627468

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[2-fluoro-5-[[(1R,2S)-2-methylcyclohexoxy]methyl]phenyl]prop-2-enoic (E)-3-[2-fluoro-5-[[(1R,2S)-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)	3.92	10.59	-51.35	0	3	-1	49	291.342	5	↓ MOL2 SDF SMILES Flexibase

49627664

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[2-[[(1S,3R)-3-methylcyclohexoxy]methyl]phenyl]prop-2-enoic (E)-3-[2-[[(1S,3R)-3-methylcyclo…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.55	10.43	-47.85	0	3	-1	49	273.352	5	↓ MOL2 SDF SMILES Flexibase

49627665

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[2-[[(1S,3S)-3-methylcyclohexoxy]methyl]phenyl]prop-2-enoic (E)-3-[2-[[(1S,3S)-3-methylcyclo…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.55	10.57	-47.85	0	3	-1	49	273.352	5	↓ MOL2 SDF SMILES Flexibase

49627666

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[2-[[(1R,3R)-3-methylcyclohexoxy]methyl]phenyl]prop-2-enoic (E)-3-[2-[[(1R,3R)-3-methylcyclo…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.55	10.57	-47.83	0	3	-1	49	273.352	5	↓ MOL2 SDF SMILES Flexibase

49627667

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[2-[[(1R,3S)-3-methylcyclohexoxy]methyl]phenyl]prop-2-enoic (E)-3-[2-[[(1R,3S)-3-methylcyclo…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.55	10.43	-47.86	0	3	-1	49	273.352	5	↓ MOL2 SDF SMILES Flexibase

49627668

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[4-[[(1S,3R)-3-methylcyclohexoxy]methyl]phenyl]prop-2-enoic (E)-3-[4-[[(1S,3R)-3-methylcyclo…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.78	10.33	-48.82	0	3	-1	49	273.352	5	↓ MOL2 SDF SMILES Flexibase

49627669

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[4-[[(1S,3S)-3-methylcyclohexoxy]methyl]phenyl]prop-2-enoic (E)-3-[4-[[(1S,3S)-3-methylcyclo…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.78	10.49	-49.21	0	3	-1	49	273.352	5	↓ MOL2 SDF SMILES Flexibase

49627670

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[4-[[(1R,3R)-3-methylcyclohexoxy]methyl]phenyl]prop-2-enoic (E)-3-[4-[[(1R,3R)-3-methylcyclo…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.78	10.49	-49.12	0	3	-1	49	273.352	5	↓ MOL2 SDF SMILES Flexibase

49627671

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[4-[[(1R,3S)-3-methylcyclohexoxy]methyl]phenyl]prop-2-enoic (E)-3-[4-[[(1R,3S)-3-methylcyclo…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.78	10.33	-48.82	0	3	-1	49	273.352	5	↓ MOL2 SDF SMILES Flexibase

49627672

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[3-fluoro-4-[[(1S,3R)-3-methylcyclohexoxy]methyl]phenyl]prop-2-enoic (E)-3-[3-fluoro-4-[[(1S,3R)-3-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)	3.87	10.56	-46.05	0	3	-1	49	291.342	5	↓ MOL2 SDF SMILES Flexibase

49627673

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[3-fluoro-4-[[(1S,3S)-3-methylcyclohexoxy]methyl]phenyl]prop-2-enoic (E)-3-[3-fluoro-4-[[(1S,3S)-3-me…

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Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.87	10.7	-46.3	0	3	-1	49	291.342	5	↓ MOL2 SDF SMILES Flexibase

49627674

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[3-fluoro-4-[[(1R,3R)-3-methylcyclohexoxy]methyl]phenyl]prop-2-enoic (E)-3-[3-fluoro-4-[[(1R,3R)-3-me…

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Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.87	10.7	-46.3	0	3	-1	49	291.342	5	↓ MOL2 SDF SMILES Flexibase

49627675

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[3-fluoro-4-[[(1R,3S)-3-methylcyclohexoxy]methyl]phenyl]prop-2-enoic (E)-3-[3-fluoro-4-[[(1R,3S)-3-me…

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Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.87	10.56	-46.06	0	3	-1	49	291.342	5	↓ MOL2 SDF SMILES Flexibase

49627676

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[3-[[(1S,3R)-3-methylcyclohexoxy]methyl]phenyl]prop-2-enoic (E)-3-[3-[[(1S,3R)-3-methylcyclo…

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Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.75	10.32	-49.67	0	3	-1	49	273.352	5	↓ MOL2 SDF SMILES Flexibase

49627677

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[3-[[(1S,3S)-3-methylcyclohexoxy]methyl]phenyl]prop-2-enoic (E)-3-[3-[[(1S,3S)-3-methylcyclo…

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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)	3.75	10.47	-50.1	0	3	-1	49	273.352	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 1156
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 = 1156 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=1156&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": "1156"        

    });
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